comp_id,atom_id,count,min,max,avg,std
02I,H1',1,6.320,6.320,6.320,
02I,H12',1,2.313,2.313,2.313,
02I,H2,1,7.712,7.712,7.712,
02I,H22',1,2.464,2.464,2.464,
02I,H3',1,4.827,4.827,4.827,
02I,H4',1,5.239,5.239,5.239,
02I,H5',1,5.688,5.688,5.688,
0AZ,HA,15,4.43,4.947,4.627,0.161
0AZ,HB2,15,1.03,2.47,2.207,0.367
0AZ,HB3,15,1.17,2.39,2.007,0.306
0AZ,HD22,15,2.26,4.25,3.695,0.459
0AZ,HD23,15,3.19,4.10,3.688,0.250
0AZ,HG,14,3.64,4.73,4.451,0.301
0AZ,HG2,1,4.720,4.720,4.720,
0AZ,HG3,1,4.720,4.720,4.720,
0UH,C1',19,84.3,87.4,85.463,1.247
0UH,C3',19,76.9,78.5,77.953,0.664
0UH,C4',19,84.5,88.1,86.679,1.438
0UH,C5',9,60.7,68.1,64.811,3.900
0UH,C8,14,140.3,140.8,140.507,0.230
0UH,H1',20,4.68,5.72,5.038,0.414
0UH,H2',20,2.34,2.8,2.640,0.182
0UH,H2'',20,2.54,2.93,2.783,0.150
0UH,H3',20,4.94,5.07,5.025,0.053
0UH,H4',20,4.46,4.7,4.603,0.105
0UH,H5',20,3.88,4.24,4.083,0.141
0UH,H5'',20,3.97,4.32,4.203,0.141
0UH,H61,16,10.17,10.36,10.275,0.071
0UH,H62,16,5.87,7.08,6.415,0.483
0UH,H8,20,8.02,8.21,8.118,0.072
0UH,HN1,20,13.42,14.36,13.898,0.372
0UH,HN61,4,5.87,7.08,6.415,0.541
0UH,HN62,4,10.17,10.36,10.275,0.079
12A,H,1,9.682,9.682,9.682,
12A,H1',1,5.967,5.967,5.967,
12A,H2',1,5.010,5.010,5.010,
12A,H2M1,1,2.569,2.569,2.569,
12A,H2M2,1,2.569,2.569,2.569,
12A,H2M3,1,2.569,2.569,2.569,
12A,H3',1,4.498,4.498,4.498,
12A,H4',1,4.368,4.368,4.368,
12A,H5',1,3.978,3.978,3.978,
12A,H5'',1,4.051,4.051,4.051,
12A,H8,1,8.325,8.325,8.325,
12A,HA,1,4.334,4.334,4.334,
12A,HB,1,4.191,4.191,4.191,
12A,HG1,1,1.332,1.332,1.332,
12A,HG22,1,1.332,1.332,1.332,
12A,HG23,1,1.332,1.332,1.332,
193,H,1,7.791,7.791,7.791,
193,HA,1,4.357,4.357,4.357,
193,HB2,1,3.171,3.171,3.171,
193,HD,1,7.816,7.816,7.816,
193,HG2,1,2.251,2.251,2.251,
193,HG3,1,2.164,2.164,2.164,
193,HH,1,7.866,7.866,7.866,
193,HT2,1,4.355,4.355,4.355,
193,HT3,1,3.026,3.026,3.026,
193,HZ2,1,1.778,1.778,1.778,
193,HZ3,1,1.527,1.527,1.527,
1AR,C1,4,94.22,102.98,98.600,5.058
1AR,C2,4,46.46,51.90,49.180,3.141
1AR,C4,4,82.73,87.58,85.155,2.800
1AR,C5,4,68.94,76.14,72.540,4.157
1AR,C6,4,21.00,27.73,24.365,3.886
1AR,CC3,4,23.99,28.47,26.230,2.587
1AR,CME,4,23.33,25.89,24.610,1.478
1AR,H1,4,5.09,14.84,9.965,5.629
1AR,H21,2,2.50,6.98,4.740,3.168
1AR,H22,2,2.16,6.90,4.530,3.352
1AR,H2A,2,2.50,6.98,4.740,3.168
1AR,H2E,2,2.16,6.90,4.530,3.352
1AR,H4,4,5.14,9.29,7.215,2.396
1AR,H5,4,4.32,12.05,8.185,4.463
1AR,H61,2,1.70,8.31,5.005,4.674
1AR,H62,2,1.70,8.31,5.005,4.674
1AR,H63,2,1.70,8.31,5.005,4.674
1AR,HM3,2,1.55,6.03,3.790,3.168
1AR,HM31,2,1.55,6.03,3.790,3.168
1AR,HM32,2,1.55,6.03,3.790,3.168
1AR,HM33,2,1.55,6.03,3.790,3.168
1AR,HM4,2,2.30,4.78,3.540,1.754
1AR,HM41,2,2.30,4.78,3.540,1.754
1AR,HM42,2,2.30,4.78,3.540,1.754
1AR,HM43,2,2.30,4.78,3.540,1.754
1AR,HM6,2,1.70,8.31,5.005,4.674
1GL,C1,4,96.42,99.75,98.085,1.923
1GL,C2,4,33.62,36.31,34.965,1.553
1GL,C3,4,68.67,71.04,69.855,1.368
1GL,C4,4,83.86,86.04,84.950,1.259
1GL,C5,4,70.16,72.84,71.500,1.547
1GL,C6,4,19.48,21.50,20.490,1.166
1GL,CME,4,64.46,65.69,65.075,0.710
1GL,H1,4,5.22,8.45,6.835,1.865
1GL,H21,2,1.85,4.07,2.960,1.570
1GL,H22,2,1.57,4.42,2.995,2.015
1GL,H2A,2,1.85,4.07,2.960,1.570
1GL,H2E,2,1.57,4.42,2.995,2.015
1GL,H3,4,4.13,7.11,5.620,1.721
1GL,H4,4,3.53,5.43,4.480,1.097
1GL,H5,4,3.94,7.31,5.625,1.946
1GL,H61,2,1.32,3.21,2.265,1.336
1GL,H62,2,1.32,3.21,2.265,1.336
1GL,H63,2,1.32,3.21,2.265,1.336
1GL,HM4,2,3.61,4.76,4.185,0.813
1GL,HM41,2,3.61,4.76,4.185,0.813
1GL,HM42,2,3.61,4.76,4.185,0.813
1GL,HM43,2,3.61,4.76,4.185,0.813
1GL,HM6,2,1.32,3.21,2.265,1.336
1HF,H10,2,7.531,7.533,7.532,0.001
1HF,H11,2,6.702,6.705,6.704,0.002
1HF,H12,2,6.873,6.910,6.892,0.026
1HF,H4,2,8.417,8.658,8.538,0.170
1HF,H6,2,7.747,7.794,7.771,0.033
1HF,H7,2,7.019,7.441,7.230,0.298
1HF,H9,2,7.220,7.244,7.232,0.017
1HF,HN1,2,10.300,10.347,10.324,0.033
1MG,H1',1,5.897,5.897,5.897,
1MG,H2',1,4.948,4.948,4.948,
1MG,H3',1,4.913,4.913,4.913,
1MG,H4',1,4.587,4.587,4.587,
1MG,H8,1,7.995,7.995,7.995,
1MG,HM11,1,3.354,3.354,3.354,
1YO,HAA,1,2.371,2.371,2.371,
1YO,HAB,1,2.371,2.371,2.371,
1YO,HAC,1,2.371,2.371,2.371,
1YO,HAD,1,7.192,7.192,7.192,
1YO,HAE,1,7.138,7.138,7.138,
1YO,HAF,1,7.028,7.028,7.028,
1YO,HAG,1,7.192,7.192,7.192,
1YO,HAI,1,4.284,4.284,4.284,
1YO,HAJ,1,4.284,4.284,4.284,
2AR,H1',1,4.65,4.65,4.650,
2AR,H2,1,7.53,7.53,7.530,
2AR,H2',1,2.47,2.47,2.470,
2AR,H2'',1,2.35,2.35,2.350,
2AR,H3',1,4.74,4.74,4.740,
2AR,H8,1,7.74,7.74,7.740,
2AR,P,1,-3.55,-3.55,-3.550,
2GL,C1,4,100.21,112.40,106.305,7.038
2GL,C2,4,36.26,44.61,40.435,4.821
2GL,C3,4,70.79,76.68,73.735,3.401
2GL,C4,4,70.98,76.79,73.885,3.354
2GL,C5,4,70.87,80.49,75.680,5.554
2GL,C6,4,19.61,25.97,22.790,3.672
2GL,CME,4,23.43,27.54,25.485,2.373
2GL,H1,4,5.69,18.13,11.910,7.182
2GL,H21,2,2.13,10.49,6.310,5.911
2GL,H22,2,2.43,10.64,6.535,5.805
2GL,H2A,2,2.13,10.49,6.310,5.911
2GL,H2E,2,2.43,10.64,6.535,5.805
2GL,H3,4,4.39,9.77,7.080,3.106
2GL,H4,4,5.33,9.90,7.615,2.638
2GL,H5,4,4.15,11.20,7.675,4.070
2GL,H61,2,1.42,7.48,4.450,4.285
2GL,H62,2,1.42,7.48,4.450,4.285
2GL,H63,2,1.42,7.48,4.450,4.285
2GL,HM4,2,2.38,6.46,4.420,2.885
2GL,HM41,2,2.38,6.46,4.420,2.885
2GL,HM42,2,2.38,6.46,4.420,2.885
2GL,HM43,2,2.38,6.46,4.420,2.885
2GL,HM6,2,1.42,7.48,4.450,4.285
2KT,C3,2,30.078,30.211,30.145,0.094
2KT,C4,2,5.695,5.852,5.774,0.111
2KT,H32,2,1.096,2.817,1.957,1.217
2KT,H33,2,1.096,2.817,1.957,1.217
2KT,Q4,2,0.980,1.092,1.036,0.079
2LA,H1',1,5.492,5.492,5.492,
2LA,H10,1,3.638,3.638,3.638,
2LA,H10A,1,3.467,3.467,3.467,
2LA,H2',1,2.229,2.229,2.229,
2LA,H2'',1,2.214,2.214,2.214,
2LA,H3',1,4.822,4.822,4.822,
2LA,H8,1,6.507,6.507,6.507,
2LF,H1',1,6.140,6.140,6.140,
2LF,H'2',1,2.269,2.269,2.269,
2LF,H2',1,2.550,2.550,2.550,
2LF,H3',1,4.865,4.865,4.865,
2LF,H4',1,5.123,5.123,5.123,
2LF,H5',1,5.559,5.559,5.559,
2ML,H,3,2.80,2.81,2.807,0.006
2ML,HA,3,4.56,4.56,4.560,0.000
2ML,HB3,3,1.50,1.56,1.520,0.035
2ML,HD11,3,0.78,0.79,0.787,0.006
2ML,HD12,3,0.78,0.79,0.787,0.006
2ML,HD13,3,0.78,0.79,0.787,0.006
2ML,HD21,3,0.89,0.89,0.890,0.000
2ML,HD22,3,0.89,0.89,0.890,0.000
2ML,HD23,3,0.89,0.89,0.890,0.000
2ML,HG,3,1.40,1.41,1.407,0.006
2MR,HA,2,3.727,3.757,3.742,0.021
2MR,HB2,2,1.872,1.897,1.885,0.018
2MR,HB3,2,1.872,1.897,1.885,0.018
2MR,HD2,2,2.991,3.034,3.013,0.030
2MR,HD3,2,2.991,3.034,3.013,0.030
2MR,HE,1,6.505,6.505,6.505,
2MR,HG2,2,1.625,1.653,1.639,0.020
2MR,HG3,2,1.625,1.653,1.639,0.020
2MR,HH1,2,6.277,6.301,6.289,0.017
2MR,HH2,2,6.281,6.307,6.294,0.018
2MR,HQ11,2,2.415,2.515,2.465,0.071
2MR,HQ12,2,2.415,2.515,2.465,0.071
2MR,HQ13,2,2.415,2.515,2.465,0.071
2MR,HQ21,2,2.415,2.515,2.465,0.071
2MR,HQ22,2,2.415,2.515,2.465,0.071
2MR,HQ23,2,2.415,2.515,2.465,0.071
2QL,H1,2,7.676,8.105,7.891,0.303
2QL,H10,2,7.598,8.093,7.846,0.350
2QL,H11,2,4.038,5.101,4.570,0.752
2QL,H12,2,4.623,5.098,4.861,0.336
2QL,H13,2,4.273,4.547,4.410,0.194
2QL,H14,2,6.321,6.484,6.403,0.115
2QL,H2,2,6.705,7.064,6.885,0.254
2QL,H3,2,6.744,7.204,6.974,0.325
2QL,H4,2,8.107,8.200,8.154,0.066
2QL,H5,2,8.066,8.357,8.212,0.206
2QL,H6,2,6.988,7.668,7.328,0.481
2QL,H7,2,6.071,7.794,6.933,1.218
2QL,H8,2,6.515,7.813,7.164,0.918
2QL,H9,2,7.498,8.371,7.935,0.617
2SU,H1',2,6.147,6.157,6.152,0.007
2SU,H2',2,4.480,4.490,4.485,0.007
2SU,H3,2,14.248,14.258,14.253,0.007
2SU,H3',2,4.848,4.858,4.853,0.007
2SU,H5,2,5.974,5.984,5.979,0.007
2SU,H6,2,8.239,8.249,8.244,0.007
2W7,H121,1,3.800,3.800,3.800,
2W7,H122,1,3.990,3.990,3.990,
2W7,H3,1,8.630,8.630,8.630,
2W7,H7,1,7.330,7.330,7.330,
2W7,H8,1,7.230,7.230,7.230,
2W7,H9,1,7.630,7.630,7.630,
2W7,HX11,1,1.920,1.920,1.920,
2W7,HX12,1,1.920,1.920,1.920,
2W7,HX21,1,1.920,1.920,1.920,
2W7,HX22,1,1.920,1.920,1.920,
2W7,HX31,1,1.920,1.920,1.920,
2W7,HX32,1,1.920,1.920,1.920,
2W7,HY1,1,1.900,1.900,1.900,
2W7,HY2,1,1.900,1.900,1.900,
2W7,HY3,1,1.900,1.900,1.900,
2W7,HZ11,1,1.515,1.515,1.515,
2W7,HZ12,1,1.515,1.515,1.515,
2W7,HZ21,1,1.515,1.515,1.515,
2W7,HZ22,1,1.515,1.515,1.515,
2W7,HZ31,1,1.515,1.515,1.515,
2W7,HZ32,1,1.515,1.515,1.515,
33B,H11,1,3.418,3.418,3.418,
33B,H12,1,3.729,3.729,3.729,
33B,H13,1,7.911,7.911,7.911,
33B,H14,1,8.443,8.443,8.443,
33B,H15,1,8.302,8.302,8.302,
33B,H21,1,3.815,3.815,3.815,
33B,H22,1,3.743,3.743,3.743,
33B,H3,1,10.461,10.461,10.461,
33B,H5,1,8.301,8.301,8.301,
33B,H7,1,7.873,7.873,7.873,
33B,H8,1,8.682,8.682,8.682,
3DR,H1'1,1,3.93,3.93,3.930,
3DR,H1'2,1,4.03,4.03,4.030,
3DR,H2',1,2.03,2.03,2.030,
3DR,H3',1,4.63,4.63,4.630,
3DR,H4'1,1,4.19,4.19,4.190,
3DR,P,1,-2.89,-2.89,-2.890,
3GL,HA,1,5.516,5.516,5.516,
3GL,HB1C,1,2.023,2.023,2.023,
3GL,HB2C,1,1.981,1.981,1.981,
3GL,HN,1,7.086,7.086,7.086,
3NF,CH3,1,1.91,1.91,1.910,
3NF,H,2,7.76,8.360,8.060,0.424
3NF,HA,2,4.477,4.48,4.479,0.002
3NF,HB2,2,2.928,3.02,2.974,0.065
3NF,HB3,2,2.86,2.976,2.918,0.082
3NF,HD1,2,7.05,7.103,7.077,0.037
3NF,HD2,2,7.05,7.103,7.077,0.037
3NF,HE1,2,6.79,6.813,6.802,0.016
3NF,HE2,2,6.79,6.813,6.802,0.016
4IP,H1,1,4.042,4.042,4.042,
4IP,H2,1,4.459,4.459,4.459,
4IP,H3,1,4.124,4.124,4.124,
4IP,H4,1,4.401,4.401,4.401,
4IP,H5,1,4.042,4.042,4.042,
4IP,H6,1,3.907,3.907,3.907,
5CM,H1',1,5.586,5.586,5.586,
5CM,H2',4,2.074,2.342,2.180,0.125
5CM,H2'',3,2.432,2.611,2.548,0.101
5CM,H3',1,4.860,4.860,4.860,
5CM,H41,1,6.814,6.814,6.814,
5CM,H42,1,8.686,8.686,8.686,
5CM,H5',1,4.094,4.094,4.094,
5CM,H5'',1,4.094,4.094,4.094,
5CM,H5A1,4,1.585,1.637,1.613,0.023
5CM,H5A2,4,1.585,1.637,1.613,0.023
5CM,H5A3,4,1.585,1.637,1.613,0.023
5CM,H6,4,7.183,7.382,7.269,0.091
5CM,HN41,3,6.616,6.759,6.697,0.074
5CM,HN42,3,8.776,9.212,8.949,0.231
5CW,CA,1,59.714,59.714,59.714,
5CW,CB,1,29.585,29.585,29.585,
5CW,CE3,1,119.679,119.679,119.679,
5CW,CH2,1,123.683,123.683,123.683,
5CW,CZ2,1,115.311,115.311,115.311,
5CW,H,1,8.887,8.887,8.887,
5CW,HA,1,4.511,4.511,4.511,
5CW,HB,1,3.207,3.207,3.207,
5CW,HD1,1,7.218,7.218,7.218,
5CW,HE1,1,10.737,10.737,10.737,
5CW,HE3,1,7.254,7.254,7.254,
5CW,HH2,1,6.997,6.997,6.997,
5CW,HZ2,1,7.435,7.435,7.435,
5MC,H1',3,5.594,6.12,5.772,0.301
5MC,H2',3,2.16,4.279,3.570,1.221
5MC,H2'',1,2.64,2.64,2.640,
5MC,H3',3,4.531,5.11,4.725,0.334
5MC,H4',1,4.38,4.38,4.380,
5MC,H5',1,4.50,4.50,4.500,
5MC,H5'',1,4.31,4.31,4.310,
5MC,H6,3,7.786,7.94,7.838,0.088
5MC,HM51,3,1.682,2.27,1.878,0.339
5MC,HM52,1,2.27,2.27,2.270,
5MC,HM53,1,2.27,2.27,2.270,
5MC,HN41,3,6.739,10.11,7.863,1.946
5MC,HN42,3,8.447,9.56,8.826,0.636
5MC,P,1,-4.88,-4.88,-4.880,
5MU,H3',1,13.689,13.689,13.689,
5MU,N3,1,160.328,160.328,160.328,
5OC,H1',1,5.572,5.572,5.572,
5OC,H2',1,2.163,2.163,2.163,
5OC,H2'',1,2.385,2.385,2.385,
5OC,H6,1,6.656,6.656,6.656,
5PC,H1',7,5.90,6.08,6.001,0.060
5PC,H2',7,2.41,2.77,2.501,0.126
5PC,H2'',7,2.72,2.77,2.744,0.018
5PC,H3',7,4.77,4.85,4.821,0.027
5PC,H4',7,4.27,4.39,4.339,0.043
5PC,H5',7,4.10,4.32,4.267,0.076
5PC,H5'',7,3.94,4.20,4.156,0.095
5PC,H6,7,7.65,8.30,7.856,0.221
5PC,H9,1,2.10,2.10,2.100,
5PC,H91,6,2.00,2.14,2.075,0.048
5PC,H92,6,2.00,2.14,2.075,0.048
5PC,H93,6,2.00,2.14,2.075,0.048
64T,H1',2,5.54,5.97,5.755,0.304
64T,H2',2,0.94,2.08,1.510,0.806
64T,H2'',2,1.86,2.45,2.155,0.417
64T,H3,1,13.14,13.14,13.140,
64T,H3',2,4.43,4.75,4.590,0.226
64T,H4',2,3.90,4.00,3.950,0.071
64T,H61,2,4.39,4.75,4.570,0.255
64T,H62,2,4.39,4.75,4.570,0.255
64T,H71,2,0.95,1.26,1.105,0.219
64T,H72,2,0.95,1.26,1.105,0.219
64T,H73,2,0.95,1.26,1.105,0.219
6HB,H1',1,5.589,5.589,5.589,
6HB,H2,2,6.863,6.945,6.904,0.058
6HB,H2',1,2.640,2.640,2.640,
6HB,H2'',1,2.687,2.687,2.687,
6HB,H3',1,5.014,5.014,5.014,
6HB,H8,1,8.195,8.195,8.195,
6HB,Ha1,1,3.962,3.962,3.962,
6HB,Ha2,1,2.857,2.857,2.857,
6HB,Hb,1,4.292,4.292,4.292,
6HB,Hc,1,5.891,5.891,5.891,
6HB,Hd1,1,5.305,5.305,5.305,
6HB,Hd2,1,5.407,5.407,5.407,
6IA,C1',3,90.3,92.82,91.363,1.305
6IA,C2,2,154.57,154.57,154.570,0.000
6IA,C2',2,74.42,75.41,74.915,0.700
6IA,C3',2,74.17,75.93,75.050,1.245
6IA,C4',2,83.20,84.24,83.720,0.735
6IA,C5',2,68.08,68.16,68.120,0.057
6IA,C8,3,138.70,140.9,139.623,1.142
6IA,H1',3,5.58,5.85,5.690,0.142
6IA,H121,2,3.63,3.67,3.650,0.028
6IA,H122,2,3.47,3.47,3.470,0.000
6IA,H132,2,4.97,5.06,5.015,0.064
6IA,H161,2,1.48,1.55,1.515,0.049
6IA,H162,2,1.48,1.55,1.515,0.049
6IA,H163,2,1.48,1.55,1.515,0.049
6IA,H2,2,7.88,7.88,7.880,0.000
6IA,H2',1,4.86,4.86,4.860,
6IA,H3',3,4.25,4.7,4.543,0.254
6IA,H4',2,4.45,4.58,4.515,0.092
6IA,H5',2,4.23,4.29,4.260,0.042
6IA,H5'',1,4.11,4.11,4.110,
6IA,H8,3,7.70,8.09,7.870,0.200
6IA,HN6,1,6.71,6.71,6.710,
6IA,HO2',2,4.37,4.78,4.575,0.290
6IA,N1,1,220.81,220.81,220.810,
6IA,N3,1,212.25,212.25,212.250,
6IA,N6,2,89.45,92.32,90.885,2.029
6IA,N7,1,229.83,229.83,229.830,
6MZ,C1',1,90.514,90.514,90.514,
6MZ,C2,1,155.654,155.654,155.654,
6MZ,C3',1,75.687,75.687,75.687,
6MZ,C4',1,83.929,83.929,83.929,
6MZ,C8,1,143.551,143.551,143.551,
6MZ,H1',3,5.757,5.876,5.799,0.067
6MZ,H2,3,7.702,8.219,7.883,0.291
6MZ,H2',3,4.205,4.455,4.362,0.137
6MZ,H3',3,4.342,4.583,4.424,0.137
6MZ,H4',3,4.338,4.493,4.400,0.082
6MZ,H5'1,1,4.052,4.052,4.052,
6MZ,H5'2,1,4.594,4.594,4.594,
6MZ,H6,1,6.606,6.606,6.606,
6MZ,H71,2,2.532,2.534,2.533,0.001
6MZ,H72,2,2.532,2.534,2.533,0.001
6MZ,H73,2,2.532,2.534,2.533,0.001
6MZ,H8,3,7.961,8.319,8.085,0.203
6MZ,H9,1,0.678,0.678,0.678,
6MZ,H9C1,1,0.678,0.678,0.678,
6MZ,H9C2,1,0.678,0.678,0.678,
70U,H1',1,6.467,6.467,6.467,
70U,H2',1,4.353,4.353,4.353,
70U,H3',1,4.508,4.508,4.508,
70U,H4',1,4.237,4.237,4.237,
70U,H5',1,4.059,4.059,4.059,
70U,H6,1,7.894,7.894,7.894,
70U,H71,1,3.440,3.440,3.440,
70U,H72,1,3.440,3.440,3.440,
70U,H91,1,3.591,3.591,3.591,
70U,H92,1,3.591,3.591,3.591,
70U,H93,1,3.591,3.591,3.591,
81S,H4,1,4.116,4.116,4.116,
81S,H5,1,2.131,2.131,2.131,
81S,H6,1,1.947,1.947,1.947,
81S,H7,1,2.861,2.861,2.861,
81S,H8,1,2.980,2.980,2.980,
81S,H9,1,2.399,2.399,2.399,
8OG,H1,5,13.09,13.18,13.142,0.048
8OG,H1',6,5.37,5.77,5.567,0.215
8OG,H2',6,2.26,3.38,3.093,0.420
8OG,H2'',6,2.27,3.13,2.480,0.333
8OG,H3',6,4.87,4.91,4.900,0.015
8OG,H4',5,4.11,4.21,4.168,0.053
8OG,H7,5,9.80,10.19,9.960,0.210
8OG,P,6,-3.97,-3.69,-3.865,0.136
A2G,C1,21,99.600,102.18,101.354,0.628
A2G,C2,21,51.393,53.002,52.465,0.335
A2G,C3,21,69.439,79.030,71.328,2.141
A2G,C4,21,71.05,79.223,72.715,2.979
A2G,C5,21,71.278,74.275,73.898,0.633
A2G,C6,21,61.598,68.894,63.893,1.426
A2G,C7,1,176.82,176.82,176.820,
A2G,C8,18,24.737,25.23,25.081,0.151
A2G,H1,22,4.71,5.160,4.886,0.115
A2G,H14,15,3.533,3.75,3.717,0.052
A2G,H2,21,4.01,4.460,4.114,0.107
A2G,H3,21,3.783,4.238,3.920,0.112
A2G,H4,21,3.94,4.278,3.995,0.082
A2G,H5,21,3.785,4.412,4.064,0.154
A2G,H6,16,3.71,3.848,3.738,0.031
A2G,H61,5,3.570,3.700,3.638,0.053
A2G,H62,5,3.491,3.637,3.583,0.058
A2G,H8,20,1.948,2.06,2.015,0.029
A2G,H8A,15,1.948,2.06,2.022,0.029
A2G,H8B,15,1.948,2.06,2.022,0.029
A2G,HN2,21,7.49,8.483,7.860,0.287
A2G,N2,14,121.80,122.90,122.461,0.403
A3A,C1',1,88.580,88.580,88.580,
A3A,C3',1,78.110,78.110,78.110,
A3A,C8A,1,141.36,141.36,141.360,
A3A,H1',1,5.937,5.937,5.937,
A3A,H2',1,2.654,2.654,2.654,
A3A,H2'',1,2.564,2.564,2.564,
A3A,H3',1,5.017,5.017,5.017,
A3A,H4',1,4.949,4.949,4.949,
A3A,H5',1,4.140,4.140,4.140,
A3A,H5'',1,4.128,4.128,4.128,
A3A,H8A,1,7.901,7.901,7.901,
A3A,P,1,0.186,0.186,0.186,
A44,H1',4,6.069,6.183,6.126,0.066
A44,H2,4,7.202,7.791,7.497,0.340
A44,H2',4,4.449,4.563,4.506,0.066
A44,H3',4,4.327,4.681,4.504,0.204
A44,H61,4,7.949,8.382,8.166,0.250
A44,H62,4,6.724,6.752,6.738,0.016
A44,H8,4,7.386,7.662,7.524,0.159
A44,HCA*,4,4.203,4.316,4.260,0.065
A44,HCD*,4,3.472,3.506,3.489,0.020
A5O,H1',2,5.806,6.012,5.909,0.146
A5O,H2,2,7.284,7.402,7.343,0.083
A5O,H2',2,4.615,4.805,4.710,0.134
A5O,H3',1,4.452,4.452,4.452,
A5O,H4',1,4.365,4.365,4.365,
A5O,H8,2,7.327,7.679,7.503,0.249
AA3,C,1,176.762,176.762,176.762,
AA3,CA,2,60.175,60.932,60.554,0.535
AA3,CB,2,46.744,49.041,47.893,1.624
AA3,CG2,2,21.092,21.173,21.133,0.057
AA3,H,2,8.758,9.581,9.170,0.582
AA3,HA,2,4.685,4.87,4.778,0.131
AA3,HB,2,3.296,3.44,3.368,0.102
AA3,HG2,2,0.55,1.344,0.947,0.561
AAC,C2,1,43.2,43.2,43.200,
AAC,C4,1,23.1,23.1,23.100,
AAC,HC41,2,1.97,2.07,2.020,0.071
AAC,HC42,2,1.97,2.07,2.020,0.071
AAC,HC43,2,1.97,2.07,2.020,0.071
AAR,H,6,7.55,8.871,8.161,0.576
AAR,HA,5,4.179,4.509,4.312,0.136
AAR,HB2,5,1.630,2.99,2.012,0.553
AAR,HB3,5,1.630,1.933,1.811,0.126
AAR,HD2,5,3.152,3.194,3.173,0.018
AAR,HD3,5,3.152,3.205,3.180,0.023
AAR,HE,5,6.881,7.242,7.130,0.145
AAR,HG2,5,1.60,1.89,1.747,0.128
AAR,HG3,5,1.60,1.865,1.730,0.094
AAR,HT1,3,7.152,7.467,7.308,0.158
AAR,HT2,3,7.406,7.911,7.715,0.271
ABA,CA,36,55.207,61.930,57.653,1.574
ABA,CB,38,27.079,50.966,33.755,7.277
ABA,CG,12,18.613,131.485,84.176,52.023
ABA,H,51,7.08,9.38,8.371,0.395
ABA,HA,57,3.48,5.24,4.541,0.327
ABA,HB,16,3.254,3.904,3.584,0.198
ABA,HB2,35,1.563,3.435,2.108,0.599
ABA,HB3,29,1.637,2.728,1.925,0.388
ABA,HG,5,0.74,5.544,2.748,2.533
ABA,HG1,38,0.557,5.747,1.717,1.731
ABA,HG2,25,0.694,5.747,1.979,2.087
ABA,HG21,1,1.3239,1.3239,1.324,
ABA,HG3,23,0.694,5.747,2.069,2.155
ABA,HN,6,7.66,8.99,8.266,0.529
ABA,N,17,111.053,124.479,118.558,3.495
ABA,QG,4,1.296,1.356,1.328,0.027
ABA_2,CA,1,56.408,56.408,56.408,
ABA_2,H,1,7.867,7.867,7.867,
ABA_2,HA,1,4.276,4.276,4.276,
ABA_2,HB1,1,3.250,3.250,3.250,
ABA_2,HB2,1,3.066,3.066,3.066,
ABA_2,N,1,112.563,112.563,112.563,
ABP,H1',1,6.44,6.44,6.440,
ABP,H2,1,7.93,7.93,7.930,
ABP,H2',1,3.23,3.23,3.230,
ABP,H2'',1,3.12,3.12,3.120,
ABP,H3',1,5.13,5.13,5.130,
ABP,H4',1,4.58,4.58,4.580,
ABP,H61,1,7.36,7.36,7.360,
ABP,H8,1,8.73,8.73,8.730,
ABP,HC21,1,6.14,6.14,6.140,
ABP,HC25,1,6.47,6.47,6.470,
ABP,HC27,1,6.91,6.91,6.910,
ABP,HC30,1,7.59,7.59,7.590,
ABP,HC32,1,7.66,7.66,7.660,
ABP,HC34,1,7.85,7.85,7.850,
ABP,HC40,1,6.95,6.95,6.950,
ABP,HC42,1,7.17,7.17,7.170,
ABP,HC44,1,7.83,7.83,7.830,
ABP,HC47,1,5.11,5.11,5.110,
ABP,HC51,1,3.85,3.85,3.850,
ABP,HC55,1,4.55,4.55,4.550,
ABU,CA,2,57.902,57.902,57.902,0.000
ABU,CB,2,27.157,27.157,27.157,0.000
ABU,H,2,8.693,8.693,8.693,0.000
ABU,HA,2,4.559,4.559,4.559,0.000
ABU,HB1,2,1.663,1.663,1.663,0.000
ABU,HB2,2,1.663,1.663,1.663,0.000
ABU,HG,2,0.814,0.814,0.814,0.000
ABUX,C,2,175.20,175.20,175.200,0.000
ABUX,CA,3,61.00,62.40,61.600,0.721
ABUX,CB,3,46.70,50.30,48.867,1.909
ABUX,CG1,2,22.70,22.80,22.750,0.071
ABUX,H,3,8.55,9.37,8.867,0.441
ABUX,HA,3,4.80,4.94,4.867,0.070
ABUX,HB,3,3.48,3.59,3.517,0.064
ABUX,HG1,3,1.34,1.41,1.363,0.040
ABUX,N,3,113.12,121.36,117.147,4.123
ACE,C,4,24.123,176.007,99.193,86.633
ACE,C1,1,176.04,176.04,176.040,
ACE,C2,1,23.87,23.87,23.870,
ACE,CH3,7,21.444,24.400,23.420,1.201
ACE,CM,1,24.2,24.2,24.200,
ACE,H,1,1.98,1.98,1.980,
ACE,H1,39,1.848,2.222,2.054,0.079
ACE,H2,41,1.848,2.222,2.046,0.077
ACE,H21,3,2.05,2.06,2.053,0.006
ACE,H22,2,2.05,2.05,2.050,0.000
ACE,H23,2,2.05,2.05,2.050,0.000
ACE,H3,38,1.848,2.222,2.051,0.078
ACE,QA,1,1.981,1.981,1.981,
ACT,CH3,2,25.566,25.566,25.566,0.000
ACT,H1,2,1.881,1.888,1.885,0.005
ACT,H2,2,1.881,1.888,1.885,0.005
ACT,H21,1,1.978,1.978,1.978,
ACT,H22,1,1.978,1.978,1.978,
ACT,H23,1,1.978,1.978,1.978,
ACT,H3,2,1.881,1.888,1.885,0.005
ACT,HC1,1,2.05,2.05,2.050,
AF2,H1',2,6.045,6.080,6.063,0.025
AF2,H2,2,7.323,7.883,7.603,0.396
AF2,H2',2,5.236,5.364,5.300,0.091
AF2,H3',2,4.346,4.754,4.550,0.288
AF2,H4',2,4.553,4.614,4.584,0.043
AF2,H5',2,4.138,4.194,4.166,0.040
AF2,H5'A,2,4.441,4.479,4.460,0.027
AF2,H8,2,7.363,7.598,7.481,0.166
AF2,HN6,2,6.935,7.066,7.001,0.093
AF2,HN6A,1,7.705,7.705,7.705,
AFC,CA,1,40.8,40.8,40.800,
AFC,CB,1,46.1,46.1,46.100,
AFC,CC,1,33.7,33.7,33.700,
AFC,CD,1,31.3,31.3,31.300,
AFC,CE,1,29.1,29.1,29.100,
AFC,CM,1,13.6,13.6,13.600,
AFC,H,1,7.30,7.30,7.300,
AFC,HA2,1,2.27,2.27,2.270,
AFC,HA3,1,2.27,2.27,2.270,
AFC,HB,1,3.97,3.97,3.970,
AFC,HC2,1,1.35,1.35,1.350,
AFC,HC3,1,1.37,1.37,1.370,
AFC,HD2,1,1.19,1.19,1.190,
AFC,HD3,1,1.19,1.19,1.190,
AFC,HE2,1,1.19,1.19,1.190,
AFC,HE3,1,1.19,1.19,1.190,
AFC,HF2,1,1.19,1.19,1.190,
AFC,HF3,1,1.19,1.19,1.190,
AFC,HG2,1,1.19,1.19,1.190,
AFC,HG3,1,1.19,1.19,1.190,
AFC,HH2,1,1.19,1.19,1.190,
AFC,HH3,1,1.19,1.19,1.190,
AFC,HI2,1,1.19,1.19,1.190,
AFC,HI3,1,1.19,1.19,1.190,
AFC,HJ2,1,1.19,1.19,1.190,
AFC,HJ3,1,1.19,1.19,1.190,
AFC,HK2,1,1.19,1.19,1.190,
AFC,HK3,1,1.19,1.19,1.190,
AFC,HL2,1,1.19,1.19,1.190,
AFC,HL3,1,1.19,1.19,1.190,
AFC,HM2,1,0.85,0.85,0.850,
AFN,H2A1,1,1.59,1.59,1.590,
AFN,H2A2,1,2.05,2.05,2.050,
AFN,H31,1,2.33,2.33,2.330,
AFN,H32,1,2.45,2.45,2.450,
AFN,H5B,1,6.06,6.06,6.060,
AFN,H6A,1,6.63,6.63,6.630,
AFN,H8A,1,6.26,6.26,6.260,
AFN,H9,1,5.91,5.91,5.910,
AFN,H9A,1,3.93,3.93,3.930,
AFN,HM1,1,3.63,3.63,3.630,
AFN,HM2,1,3.63,3.63,3.630,
AFN,HM3,1,3.63,3.63,3.630,
AIB,C,22,173.725,180.8,177.759,1.919
AIB,CA,20,56.707,59.6,58.299,0.938
AIB,CB1,28,23.099,29.9,26.131,2.276
AIB,CB2,28,22.239,28.937,25.802,1.480
AIB,H,42,7.45,9.120,8.061,0.414
AIB,HB1,4,1.50,1.63,1.575,0.066
AIB,HB11,28,1.30,1.706,1.490,0.100
AIB,HB12,20,1.30,1.706,1.487,0.117
AIB,HB13,20,1.30,1.706,1.487,0.117
AIB,HB2,4,1.45,1.53,1.505,0.038
AIB,HB21,33,1.30,1.637,1.497,0.089
AIB,HB22,25,1.30,1.637,1.517,0.087
AIB,HB23,25,1.30,1.637,1.517,0.087
AIB,N,23,123.383,133.272,128.515,2.791
AIB,QB1,6,1.310,1.603,1.486,0.109
AIB,QB2,6,1.337,1.507,1.448,0.066
ALAS,C,6,173.30,178.0,175.017,1.599
ALAS,CA,7,54.60,59.50,56.386,1.622
ALAS,CB,7,33.80,40.80,37.271,2.326
ALAS,H,7,7.78,8.85,8.191,0.347
ALAS,HA,7,3.90,4.57,4.387,0.274
ALAS,HB2,7,3.08,3.76,3.354,0.282
ALAS,HB3,7,2.80,3.08,2.929,0.108
ALAS,N,7,118.22,126.25,121.201,2.587
ALA_SUC,H,1,8.53,8.53,8.530,
ALA_SUC,HA,1,4.23,4.23,4.230,
ALA_SUC,HB1,1,1.4,1.4,1.400,
ALA_SUC,HB2,1,1.4,1.4,1.400,
ALA_SUC,HB3,1,1.4,1.4,1.400,
ALA_SUC,SUC_HA2,1,2.55,2.55,2.550,
ALA_SUC,SUC_HA3,1,2.56,2.56,2.560,
ALF,F1,1,-137.030,-137.030,-137.030,
ALF,F2,1,-130.660,-130.660,-130.660,
ALF,F3,1,-144.000,-144.000,-144.000,
ALF,F4,1,-140.670,-140.670,-140.670,
ALO,H,1,7.92,7.92,7.920,
ALO,HA,1,4.13,4.13,4.130,
ALO,HB,1,3.93,3.93,3.930,
ALO,HG1,1,1.19,1.19,1.190,
ALY,C,1,173.85,173.85,173.850,
ALY,CA,1,57.97,57.97,57.970,
ALY,CB,1,30.43,30.43,30.430,
ALY,CD,2,30.3100,31.27,30.790,0.679
ALY,CE,1,41.75,41.75,41.750,
ALY,CG,2,22.13,25.0200,23.575,2.044
ALY,CH,1,176.40,176.40,176.400,
ALY,CH3,1,24.70,24.70,24.700,
ALY,H,10,7.867,8.82,8.191,0.267
ALY,HA,7,4.163,4.357,4.273,0.065
ALY,HB1,3,1.702,1.753,1.736,0.029
ALY,HB2,10,1.591,2.05,1.741,0.124
ALY,HB3,6,1.684,2.05,1.854,0.117
ALY,HCA,3,3.57,4.292,4.029,0.399
ALY,HD1,3,1.471,1.629,1.524,0.091
ALY,HD2,4,1.22,1.763,1.479,0.223
ALY,HD3,5,1.488,1.66,1.564,0.078
ALY,HE1,3,3.126,3.163,3.138,0.021
ALY,HE2,4,2.78,3.360,3.088,0.239
ALY,HE3,4,2.96,3.2100,3.085,0.102
ALY,HG1,3,1.377,1.476,1.410,0.057
ALY,HG2,10,0.12,1.443,1.220,0.392
ALY,HG3,6,0.12,1.3800,1.125,0.496
ALY,HH31,2,1.91,2.094,2.002,0.130
ALY,HH32,2,1.91,2.094,2.002,0.130
ALY,HH33,2,1.91,2.094,2.002,0.130
ALY,HM1,1,2.072,2.072,2.072,
ALY,HZ,1,7.79,7.79,7.790,
ALY,HZ1,6,7.950,8.056,7.990,0.045
ALY,HZ2,3,7.955,8.0240,7.995,0.036
ALY,HZ3,3,7.955,8.0240,7.995,0.036
ALY,N,1,118.38,118.38,118.380,
ALY,NZ,1,126.40,126.40,126.400,
AMD,H,1,7.43,7.43,7.430,
AMD,HN2,1,7.20,7.20,7.200,
AMD,N,1,108.8,108.8,108.800,
AMU,C1,2,97.4,97.4,97.400,0.000
AMU,C10,2,178.4,178.6,178.500,0.141
AMU,C11,2,21.5,21.5,21.500,0.000
AMU,C2,2,56.1,56.1,56.100,0.000
AMU,C3,2,82.7,82.7,82.700,0.000
AMU,C4,2,70.8,70.8,70.800,0.000
AMU,C5,2,75.8,75.8,75.800,0.000
AMU,C6,2,63.2,63.2,63.200,0.000
AMU,C7,2,176.9,177,176.950,0.071
AMU,C8,2,25.0,25.0,25.000,0.000
AMU,C9,2,80.8,80.8,80.800,0.000
AMU,H1,2,5.47,5.47,5.470,0.000
AMU,H11,2,1.42,1.42,1.420,0.000
AMU,H2,2,4.13,4.13,4.130,0.000
AMU,H3,2,3.79,3.79,3.790,0.000
AMU,H4,2,3.65,3.65,3.650,0.000
AMU,H5,2,3.95,3.95,3.950,0.000
AMU,H61,2,3.86,3.86,3.860,0.000
AMU,H62,2,3.86,3.86,3.860,0.000
AMU,H8,2,2.02,2.02,2.020,0.000
AMU,H9,2,4.23,4.23,4.230,0.000
AMU,HH2,1,8.49,8.49,8.490,
AMU,HN2,1,8.49,8.49,8.490,
AMU,N2,2,121.8,121.8,121.800,0.000
AOD,HA,4,3.477,4.191,3.890,0.305
AOD,HB2,4,1.227,1.556,1.423,0.139
AOD,HB3,4,1.227,1.556,1.423,0.139
AOD,HD2,2,0.73,1.132,0.931,0.284
AOD,HD3,2,0.73,1.132,0.931,0.284
AOD,HE2,3,1.168,1.372,1.300,0.114
AOD,HE3,3,1.168,1.372,1.300,0.114
AOD,HF2,3,2.208,2.328,2.286,0.067
AOD,HF3,3,2.208,2.328,2.286,0.067
AOD,HG2,4,0.814,1.254,1.052,0.188
AOD,HG3,4,0.814,1.254,1.052,0.188
AOD,HN,4,6.938,7.939,7.536,0.444
AOD,HY2,3,2.374,2.398,2.384,0.012
AOD,HY3,3,2.374,2.398,2.384,0.012
AOD,HZ1,3,0.913,0.918,0.915,0.003
AOD,HZ2,3,0.913,0.918,0.915,0.003
AOD,HZ3,3,0.913,0.918,0.915,0.003
APR,H'1,1,6.120,6.120,6.120,
APR,H2,1,8.207,8.207,8.207,
APR,H'4,1,4.328,4.328,4.328,
APR,H51,1,4.200,4.200,4.200,
APR,H52,1,4.200,4.200,4.200,
APR,H5R1,1,4.230,4.230,4.230,
APR,H5R2,1,4.230,4.230,4.230,
APR,H61,1,8.418,8.418,8.418,
APR,H62,1,8.418,8.418,8.418,
APR,H8,1,8.753,8.753,8.753,
APR,HR'3,1,3.950,3.950,3.950,
APR,HR'4,1,3.885,3.885,3.885,
AR1,1FOR_H1,1,7.703,7.703,7.703,
AR1,2MIM_H5,1,6.684,6.684,6.684,
AR1,2MIM_HNA,1,3.871,3.871,3.871,
AR1,3MIM_H5,1,7.626,7.626,7.626,
AR1,3MIM_HNA,1,4.062,4.062,4.062,
AR1,4MIM_H5,1,7.638,7.638,7.638,
AR1,4MIM_HNA,1,4.062,4.062,4.062,
AR1,TAI_H1,1,3.170,3.170,3.170,
AR1,TAI_H11,1,3.474,3.474,3.474,
AR1,TAI_H12,1,3.431,3.431,3.431,
AR1,TAI_H2,1,2.982,2.982,2.982,
AR1,TAI_H21,1,3.955,3.955,3.955,
AR1,TAI_H22,1,3.340,3.340,3.340,
ASH,C,1,175.0,175.0,175.000,
ASH,CA,1,50.4,50.4,50.400,
ASH,CB,1,40.3,40.3,40.300,
ASH,H,1,8.26,8.26,8.260,
ASH,HA,1,5.79,5.79,5.790,
ASH,HB2,1,1.92,1.92,1.920,
ASH,HB3,1,1.32,1.32,1.320,
ASH,N,1,125.7,125.7,125.700,
ATD,H1',1,6.083,6.083,6.083,
ATD,H2',1,2.876,2.876,2.876,
ATD,H2'',1,1.936,1.936,1.936,
ATD,H3,1,13.535,13.535,13.535,
ATD,H3',1,5.002,5.002,5.002,
ATD,H4',1,4.752,4.752,4.752,
ATD,H5',1,4.091,4.091,4.091,
ATD,H5'',1,3.876,3.876,3.876,
ATD,H6,1,7.531,7.531,7.531,
ATD,H71,1,1.567,1.567,1.567,
ATD,H72,1,1.567,1.567,1.567,
ATD,H73,1,1.567,1.567,1.567,
ATD,P,1,-2.14,-2.14,-2.140,
ATP,H1',4,5.930,6.38,6.119,0.189
ATP,H2,4,8.160,8.54,8.277,0.177
ATP,H2',3,3.543,4.758,4.174,0.609
ATP,H3',4,3.091,4.89,4.227,0.789
ATP,H4',4,4.06,4.345,4.186,0.138
ATP,H5',1,4.163,4.163,4.163,
ATP,H5'1,2,3.475,4.155,3.815,0.481
ATP,H51',1,4.72,4.72,4.720,
ATP,H5'2,2,3.586,4.256,3.921,0.474
ATP,H52',1,4.51,4.51,4.510,
ATP,H8,4,7.175,9.17,8.327,0.834
AYA,C,1,177.10,177.10,177.100,
AYA,CA,1,52.80,52.80,52.800,
AYA,CB,1,8.90,8.90,8.900,
AYA,CM,1,24.30,24.30,24.300,
AYA,CT,1,176.60,176.60,176.600,
AYA,H,5,8.16,8.42,8.302,0.098
AYA,HA,5,4.19,4.28,4.234,0.033
AYA,HB,1,1.40,1.40,1.400,
AYA,HB1,4,1.25,1.39,1.308,0.062
AYA,HB2,4,1.25,1.39,1.308,0.062
AYA,HB3,4,1.25,1.39,1.308,0.062
AYA,HM,1,2.02,2.02,2.020,
AYA,HM1,1,1.95,1.95,1.950,
AYA,HM2,1,1.95,1.95,1.950,
AYA,HM3,1,1.95,1.95,1.950,
AYA,N,1,129.10,129.10,129.100,
B1P,H5,2,4.428,4.439,4.434,0.008
B1P,H6,2,2.03,2.471,2.251,0.312
B1P,H7,2,2.048,2.112,2.080,0.045
B1P,H8,2,5.472,5.745,5.609,0.193
B27,CA,1,53.54,53.54,53.540,
B27,CB,1,66.36,66.36,66.360,
B27,CG2,1,19.82,19.82,19.820,
B27,H,1,6.82,6.82,6.820,
B27,HA,1,3.74,3.74,3.740,
B27,HB,1,3.92,3.92,3.920,
B27,HG21,1,1.29,1.29,1.290,
B27,HG22,1,1.29,1.29,1.290,
B27,HG23,1,1.29,1.29,1.290,
B27,N,1,112.70,112.70,112.700,
B3L,BT,1,2.152,2.152,2.152,
B3L,H,1,6.867,6.867,6.867,
B3L,HA,1,4.223,4.223,4.223,
B3L,HB2,1,1.171,1.171,1.171,
B3L,HB3,1,1.171,1.171,1.171,
B3L,HD11,1,0.805,0.805,0.805,
B3L,HD12,1,0.805,0.805,0.805,
B3L,HD13,1,0.805,0.805,0.805,
B3L,HD21,1,0.805,0.805,0.805,
B3L,HD22,1,0.805,0.805,0.805,
B3L,HD23,1,0.805,0.805,0.805,
B3L,HG,1,1.413,1.413,1.413,
BAL,BT,2,2.318,2.341,2.330,0.016
BAL,H,3,7.091,7.349,7.200,0.134
BAL,HA,2,3.931,4.157,4.044,0.160
BAL,HA1,1,2.32,2.32,2.320,
BAL,HA2,1,2.32,2.32,2.320,
BAL,HB1,1,1.046,1.046,1.046,
BAL,HB2,3,1.046,3.29,1.805,1.286
BAL,HB3,3,1.046,3.40,1.842,1.349
BB9,C,17,64.9,165.0,141.006,42.628
BB9,CA,17,149.0,160.3,153.588,4.055
BB9,CB,17,120.4,130.4,126.547,3.483
BB9,HB,24,6.907,8.743,8.059,0.414
BB9,HC,4,4.60,5.35,5.140,0.361
BCX,H,1,7.90,7.90,7.900,
BCX,HA,1,4.32,4.32,4.320,
BCX,HB2,1,2.78,2.78,2.780,
BCX,HB3,1,2.99,2.99,2.990,
BCX,HG,1,2.45,2.45,2.450,
BEF,F1,2,-150.21,-150.2,-150.205,0.007
BEF,F2,2,-151.56,-150.6,-151.080,0.679
BEF,F3,1,-178.70,-178.70,-178.700,
BEZ,H2,2,6.805,6.805,6.805,0.000
BEZ,H3,2,7.032,7.032,7.032,0.000
BEZ,H4,2,7.620,7.620,7.620,0.000
BEZ,H5,2,7.708,7.708,7.708,0.000
BEZ,H6,2,7.511,7.511,7.511,0.000
BFC,H,1,8.14,8.14,8.140,
BFC,HA1,1,2.32,2.32,2.320,
BFC,HA2,1,2.81,2.81,2.810,
BFC,HB,1,5.05,5.05,5.050,
BFC,HG1,1,1.62,1.62,1.620,
BFC,HG2,1,1.85,1.85,1.850,
BGC,C1,2,98.600,107.680,103.140,6.421
BGC,C2,2,75.765,78.253,77.009,1.759
BGC,C3,2,78.538,79.797,79.168,0.890
BGC,C4,2,72.666,75.305,73.986,1.866
BGC,C5,2,78.273,78.592,78.433,0.226
BGC,C6,2,62.547,63.457,63.002,0.643
BGC,H1,2,4.466,4.615,4.541,0.105
BGC,H2,2,3.246,3.469,3.358,0.158
BGC,H3,2,3.416,3.695,3.556,0.197
BGC,H4,2,3.312,3.866,3.589,0.392
BGC,H5,2,3.351,3.461,3.406,0.078
BGC,H61,1,3.839,3.839,3.839,
BGC,H62,1,3.635,3.635,3.635,
BGC,H6C1,1,3.980,3.980,3.980,
BGC,H6C2,1,3.785,3.785,3.785,
BGM,H1,1,11.388,11.388,11.388,
BGM,H1',1,6.164,6.164,6.164,
BGM,H2',1,3.847,3.847,3.847,
BGM,H2'',1,3.174,3.174,3.174,
BGM,H3',1,4.871,4.871,4.871,
BGR,BP,1,-41.43,-41.43,-41.430,
BGR,C1',1,85.8,85.8,85.800,
BGR,C8,1,137.3,137.3,137.300,
BGR,H1,1,12.458,12.458,12.458,
BGR,H1',1,5.984,5.984,5.984,
BGR,H1BP,1,0.33,0.33,0.330,
BGR,H2',1,2.634,2.634,2.634,
BGR,H2'',1,2.634,2.634,2.634,
BGR,H2BP,1,0.33,0.33,0.330,
BGR,H3',1,4.720,4.720,4.720,
BGR,H3BP,1,0.33,0.33,0.330,
BGR,H4',1,4.349,4.349,4.349,
BGR,H8,1,7.677,7.677,7.677,
BGR,P,1,94.00,94.00,94.000,
BLEU,BT,2,2.239,2.526,2.383,0.203
BLEU,H,2,6.914,7.22,7.067,0.216
BLEU,HA,2,3.987,4.388,4.188,0.284
BLEU,HB2,2,1.256,1.334,1.295,0.055
BLEU,HB3,2,1.256,1.334,1.295,0.055
BLEU,HD11,2,0.871,0.931,0.901,0.042
BLEU,HD12,2,0.871,0.931,0.901,0.042
BLEU,HD13,2,0.871,0.931,0.901,0.042
BLEU,HD21,2,0.871,0.931,0.901,0.042
BLEU,HD22,2,0.871,0.931,0.901,0.042
BLEU,HD23,2,0.871,0.931,0.901,0.042
BLEU,HG,2,1.551,1.56,1.556,0.006
BLM,1H50,1,3.59,3.59,3.590,
BLM,1H51,1,2.15,2.15,2.150,
BLM,1H52,1,3.42,3.42,3.420,
BLM,1H55,1,2.86,2.86,2.860,
BLM,1H61,1,3.49,3.49,3.490,
BLM,1H66,1,3.86,3.86,3.860,
BLM,1HNQ,1,6.39,6.39,6.390,
BLM,2H50,1,3.59,3.59,3.590,
BLM,2H51,1,2.15,2.15,2.150,
BLM,2H52,1,3.42,3.42,3.420,
BLM,2H55,1,2.86,2.86,2.860,
BLM,2H61,1,3.39,3.39,3.390,
BLM,2H66,1,3.70,3.70,3.700,
BLM,2HNQ,1,6.09,6.09,6.090,
BLM,3H55,1,2.86,2.86,2.860,
BLM,H13,1,4.95,4.95,4.950,
BLM,H14,1,5.22,5.22,5.220,
BLM,H1E,1,3.54,3.54,3.540,
BLM,H1X,1,3.54,3.54,3.540,
BLM,H2,1,3.98,3.98,3.980,
BLM,H28,1,7.25,7.25,7.250,
BLM,H29,1,7.85,7.85,7.850,
BLM,H2E,1,3.17,3.17,3.170,
BLM,H2X,1,3.17,3.17,3.170,
BLM,H31,1,3.77,3.77,3.770,
BLM,H33,1,3.68,3.68,3.680,
BLM,H34,1,2.37,2.37,2.370,
BLM,H37,1,4.13,4.13,4.130,
BLM,H38,1,4.00,4.00,4.000,
BLM,H3E,1,3.09,3.09,3.090,
BLM,H3X,1,2.51,2.51,2.510,
BLM,H44,1,8.11,8.11,8.110,
BLM,H47,1,7.88,7.88,7.880,
BLM,H57,1,3.96,3.96,3.960,
BLM,H58,1,4.05,4.05,4.050,
BLM,H59,1,3.76,3.76,3.760,
BLM,H5E,1,2.77,2.77,2.770,
BLM,H5X,1,2.61,2.61,2.610,
BLM,H6,1,4.08,4.08,4.080,
BLM,H60,1,3.99,3.99,3.990,
BLM,H63,1,5.20,5.20,5.200,
BLM,H64,1,4.96,4.96,4.960,
BLM,H65,1,3.69,3.69,3.690,
BLM,H67,1,3.68,3.68,3.680,
BLM,H68,1,4.51,4.51,4.510,
BLM,H69,1,3.87,3.87,3.870,
BLM,HA1,1,7.18,7.18,7.180,
BLM,HA2,1,7.91,7.91,7.910,
BLM,HAA,1,1.97,1.97,1.970,
BLM,HAB,1,1.97,1.97,1.970,
BLM,HAC,1,1.97,1.97,1.970,
BLM,HB1,1,6.81,6.81,6.810,
BLM,HB2,1,6.38,6.38,6.380,
BLM,HBA,1,1.04,1.04,1.040,
BLM,HBB,1,1.04,1.04,1.040,
BLM,HBC,1,1.04,1.04,1.040,
BLM,HCA,1,1.04,1.04,1.040,
BLM,HCB,1,1.04,1.04,1.040,
BLM,HCC,1,1.04,1.04,1.040,
BLM,HD1,1,7.00,7.00,7.000,
BLM,HD2,1,7.79,7.79,7.790,
BLM,HDA,1,1.03,1.03,1.030,
BLM,HDB,1,1.03,1.03,1.030,
BLM,HDC,1,1.03,1.03,1.030,
BLM,HF1,1,6.77,6.77,6.770,
BLM,HF2,1,6.77,6.77,6.770,
BLM,HNH,1,9.41,9.41,9.410,
BLM,HNK,1,8.23,8.23,8.230,
BLM,HNL,1,8.06,8.06,8.060,
BLM,HNM,1,8.35,8.35,8.350,
BP,H1,2,7.03,7.37,7.200,0.240
BP,H10,1,5.50,5.50,5.500,
BP,H101,1,5.66,5.66,5.660,
BP,H102,1,5.66,5.66,5.660,
BP,H11,2,6.30,6.48,6.390,0.127
BP,H12,2,6.91,6.98,6.945,0.049
BP,H2,2,7.00,7.43,7.215,0.304
BP,H3,2,7.35,7.44,7.395,0.064
BP,H4,2,7.53,7.57,7.550,0.028
BP,H5,2,7.59,7.82,7.705,0.163
BP,H6,2,7.68,8.19,7.935,0.361
BP,H7,1,5.24,5.24,5.240,
BP,H71,1,3.24,3.24,3.240,
BP,H72,1,3.08,3.08,3.080,
BP,H8,1,3.98,3.98,3.980,
BP,H81,1,1.92,1.92,1.920,
BP,H82,1,2.04,2.04,2.040,
BP,H9,2,4.18,4.83,4.505,0.460
BSE,H,1,7.99,7.99,7.990,
BSE,HA,1,4.05,4.05,4.050,
BSE,HB2,1,3.34,3.34,3.340,
BSE,HB3,1,3.42,3.42,3.420,
BSE,HD,1,4.83,4.83,4.830,
BSE,HG2,1,2.46,2.46,2.460,
BSE,HG3,1,2.39,2.39,2.390,
BTI,H102,1,2.250,2.250,2.250,
BTI,H103,1,2.122,2.122,2.122,
BTI,H2,1,2.556,2.556,2.556,
BTI,H4,1,2.572,2.572,2.572,
BTI,H5,1,2.814,2.814,2.814,
BTI,H62,1,2.002,2.002,2.002,
BTI,H63,1,2.321,2.321,2.321,
BTI,H72,1,1.172,1.172,1.172,
BTI,H73,1,1.460,1.460,1.460,
BTI,H82,1,1.013,1.013,1.013,
BTI,H83,1,1.166,1.166,1.166,
BTI,H92,1,1.555,1.555,1.555,
BTI,H93,1,1.159,1.159,1.159,
BTI,HN2,1,6.093,6.093,6.093,
BTI,HN3,1,6.717,6.717,6.717,
BTRP,BT,1,2.896,2.896,2.896,
BTRP,H,1,7.047,7.047,7.047,
BTRP,HA,1,4.194,4.194,4.194,
BTRP,HB2,1,2.263,2.263,2.263,
BTRP,HB3,1,2.263,2.263,2.263,
BTRP,HD1,1,7.074,7.074,7.074,
BTRP,HE1,1,10.915,10.915,10.915,
BTRP,HZ2,1,7.359,7.359,7.359,
C2E,C1',2,91.928,93.650,92.789,1.218
C2E,C1A,2,92.549,93.777,93.163,0.868
C2E,C2',2,76.051,77.783,76.917,1.225
C2E,C2A,2,75.781,76.519,76.150,0.522
C2E,C3',2,71.068,71.920,71.494,0.602
C2E,C3A,2,72.251,72.290,72.271,0.028
C2E,C4',2,81.540,83.233,82.387,1.197
C2E,C4A,2,82.701,82.927,82.814,0.160
C2E,C5',1,64.099,64.099,64.099,
C2E,C5A,2,64.633,64.706,64.670,0.052
C2E,H1',2,3.289,5.959,4.624,1.888
C2E,H1A,2,5.383,5.659,5.521,0.195
C2E,H2',2,3.953,4.411,4.182,0.324
C2E,H2A,2,4.565,4.824,4.695,0.183
C2E,H3',2,4.437,4.663,4.550,0.160
C2E,H3A,2,4.615,4.948,4.782,0.235
C2E,H4',2,4.087,4.379,4.233,0.206
C2E,H4A,2,4.325,4.375,4.350,0.035
C2E,H5'1,2,4.111,4.314,4.213,0.144
C2E,H511,2,3.934,4.381,4.158,0.316
C2E,H512,1,4.120,4.120,4.120,
C2E,H5'2,1,3.853,3.853,3.853,
C2E,H8,2,7.221,7.572,7.397,0.248
C2E,H81,2,7.368,7.517,7.443,0.105
C2E,HN1,2,11.861,11.970,11.916,0.077
C2E,HN11,2,10.767,13.445,12.106,1.894
C2E,HN21,1,5.537,5.537,5.537,
C2E,HN23,1,5.698,5.698,5.698,
C2E,N1,2,147.081,147.805,147.443,0.512
C2E,N11,1,145.614,145.614,145.614,
C2E,N2,1,69.534,69.534,69.534,
C2E,N21,1,69.824,69.824,69.824,
C2E,N7,2,232.095,234.760,233.428,1.884
C2E,N71,2,228.344,235.292,231.818,4.913
C5L,H1',8,5.661,5.767,5.706,0.041
C5L,H2',8,4.180,4.477,4.342,0.131
C5L,H3',6,4.569,4.634,4.595,0.031
C5L,H41,8,8.403,8.815,8.660,0.174
C5L,H42,8,6.255,6.665,6.405,0.177
C5L,H6,8,7.553,7.994,7.739,0.184
C5L,H7*,8,1.317,1.917,1.557,0.250
C5L,HCA*,6,4.085,4.110,4.101,0.012
C5L,HCD*,6,3.433,3.503,3.470,0.031
C90,C18,1,58.630,58.630,58.630,
C90,C19,1,69.970,69.970,69.970,
C90,C21,1,20.580,20.580,20.580,
C90,CA1,1,68.760,68.760,68.760,
C90,CA2,1,68.760,68.760,68.760,
C90,CB1,1,55.180,55.180,55.180,
C90,CB2,1,55.180,55.180,55.180,
C90,H17,1,7.833,7.833,7.833,
C90,H18,1,5.225,5.225,5.225,
C90,H19,1,4.101,4.101,4.101,
C90,H211,1,0.995,0.995,0.995,
C90,H212,1,0.995,0.995,0.995,
C90,H213,1,0.995,0.995,0.995,
C90,H51,1,3.771,3.771,3.771,
C90,H52,1,3.285,3.285,3.285,
C90,HA11,1,3.509,3.509,3.509,
C90,HA12,1,3.509,3.509,3.509,
C90,HA21,1,3.509,3.509,3.509,
C90,HA22,1,3.509,3.509,3.509,
C90,HB11,1,2.330,2.330,2.330,
C90,HB12,1,2.330,2.330,2.330,
C90,HB21,1,2.330,2.330,2.330,
C90,HB22,1,2.330,2.330,2.330,
C90,HC1,1,6.952,6.952,6.952,
C90,HC2,1,6.952,6.952,6.952,
C90,HD1,1,7.202,7.202,7.202,
C90,HD2,1,7.202,7.202,7.202,
C90,HE1,1,7.430,7.430,7.430,
C90,HE2,1,7.430,7.430,7.430,
C90,HF,1,8.055,8.055,8.055,
C90,HF1,1,8.055,8.055,8.055,
C90,N17,1,111.655,111.655,111.655,
CA1,H1,1,1.320,1.320,1.320,
CA1,H2,1,3.950,3.950,3.950,
CA1,H3,1,4.220,4.220,4.220,
CA1,H4,1,3.620,3.620,3.620,
CA1,H5,1,4.920,4.920,4.920,
CA1,H6,1,1.220,1.220,1.220,
CD,Cd,6,611.7,659.6,640.850,16.116
CD,CD,7,605,691,648.429,28.710
CEL,H,1,8.008,8.008,8.008,
CEL,HA,1,4.114,4.114,4.114,
CEL,HB2,1,1.618,1.618,1.618,
CEL,HD2,1,1.531,1.531,1.531,
CEL,HD3,1,1.531,1.531,1.531,
CEL,HE1,1,3.977,3.977,3.977,
CEL,HE2,1,2.856,2.856,2.856,
CEL,HE3,1,2.856,2.856,2.856,
CEL,HG2,1,1.217,1.217,1.217,
CEL,HG3,1,1.217,1.217,1.217,
CEL,HZ11,1,1.732,1.732,1.732,
CEL,HZ12,1,1.732,1.732,1.732,
CEL,HZ13,1,1.732,1.732,1.732,
CFL,F,3,-120.488,-117.822,-118.920,1.394
CFL,H1',6,5.802,6.004,5.920,0.077
CFL,H2',6,5.241,5.481,5.385,0.081
CFL,H3',2,4.762,4.766,4.764,0.003
CFL,H4',4,4.154,4.412,4.281,0.129
CFL,H5,6,5.124,5.961,5.490,0.346
CFL,H5'1,3,3.844,4.210,4.065,0.194
CFL,H5'2,3,3.926,4.252,4.108,0.166
CFL,H6,6,7.027,7.641,7.266,0.228
CFL,HN41,6,6.789,8.663,7.958,0.900
CFL,HN42,5,6.640,8.488,7.429,0.890
CFZ,H1',2,5.749,5.785,5.767,0.025
CFZ,H2',2,5.358,5.386,5.372,0.020
CFZ,H3',2,4.584,4.622,4.603,0.027
CFZ,H4',2,4.354,4.522,4.438,0.119
CFZ,H5,2,5.365,5.958,5.662,0.419
CFZ,H5',2,4.062,4.192,4.127,0.092
CFZ,H5'A,1,3.932,3.932,3.932,
CFZ,H6,2,7.484,8.009,7.747,0.371
CFZ,HN4,1,6.946,6.946,6.946,
CFZ,HN4A,1,8.529,8.529,8.529,
CGU,CA,3,57.547,58.453,58.027,0.455
CGU,CB,3,31.973,34.336,33.297,1.207
CGU,CG,3,56.985,58.832,57.667,1.014
CGU,H,1,9.103,9.103,9.103,
CGU,HA,4,4.158,4.431,4.262,0.127
CGU,HB2,4,2.223,2.568,2.337,0.156
CGU,HB3,4,2.168,2.463,2.262,0.136
CGU,HG,4,3.215,3.559,3.402,0.141
CH,C1',2,90.20,95.142,92.671,3.495
CH,C2,1,150.849,150.849,150.849,
CH,C2',1,76.081,76.081,76.081,
CH,C3',1,74.505,74.505,74.505,
CH,C4,1,160.425,160.425,160.425,
CH,C4',1,82.191,82.191,82.191,
CH,C5,2,98.20,98.668,98.434,0.331
CH,C5',1,68.14,68.14,68.140,
CH,C6,1,143.499,143.499,143.499,
CH,H1',8,5.264,6.53,6.226,0.421
CH,H2',8,2.13,4.288,2.737,0.867
CH,H2'',6,1.52,2.66,2.407,0.439
CH,H3',8,3.757,5.14,4.721,0.407
CH,H4',7,4.02,4.388,4.180,0.119
CH,H41,8,8.43,11.15,9.354,0.806
CH,H42,8,7.92,11.655,8.871,1.274
CH,H5,8,5.53,6.36,5.971,0.226
CH,H5',7,4.02,4.37,4.244,0.148
CH,H5'',7,3.89,4.26,4.109,0.121
CH,H6,8,7.298,8.42,7.852,0.336
CH,HN3,7,12.56,15.76,15.169,1.156
CH,HO3',1,12.216,12.216,12.216,
CH,N1,1,148.119,148.119,148.119,
CH,N3,2,138.365,142.70,140.533,3.065
CH,N4,2,111.011,115.80,113.406,3.386
CH,P,6,-4.608,-3.56,-3.985,0.411
CHA,H1',1,0.944,0.944,0.944,
CHA,H11,1,4.023,4.023,4.023,
CHA,H2,1,8.185,8.185,8.185,
CHA,H2'1,1,0.621,0.621,0.621,
CHA,H2'2,1,1.475,1.475,1.475,
CHA,H31,1,1.280,1.280,1.280,
CHA,H3'1,1,0.696,0.696,0.696,
CHA,H32,1,1.163,1.163,1.163,
CHA,H3'2,1,1.435,1.435,1.435,
CHA,H4'1,1,0.866,0.866,0.866,
CHA,H4'2,1,1.440,1.440,1.440,
CHA,H5'1,1,0.924,0.924,0.924,
CHA,H5'2,1,1.495,1.495,1.495,
CHA,H6'1,1,1.020,1.020,1.020,
CHA,H6'2,1,1.475,1.475,1.475,
chem_comp_1,H1',1,5.90,5.90,5.900,
chem_comp_1,H2',1,1.99,1.99,1.990,
chem_comp_1,H2'',1,2.45,2.45,2.450,
chem_comp_1,H3,1,13.90,13.90,13.900,
chem_comp_1,H3',1,4.87,4.87,4.870,
chem_comp_1,H4',1,4.16,4.16,4.160,
chem_comp_1,H5',1,4.06,4.06,4.060,
chem_comp_1,H6,1,6.88,6.88,6.880,
CHR,1H18,1,1.26,1.26,1.260,
CHR,1H19,1,2.70,2.70,2.700,
CHR,1H31,1,2.96,2.96,2.960,
CHR,1H32,1,2.34,2.34,2.340,
CHR,1H35,1,4.70,4.70,4.700,
CHR,2H35,1,4.99,4.99,4.990,
CHR,C,2,179.30,179.30,179.300,0.000
CHR,C10,1,79.79,79.79,79.790,
CHR,C11,2,57.40,57.40,57.400,0.000
CHR,C12,2,23.10,23.10,23.100,0.000
CHR,C13,3,36.20,80.51,50.970,25.582
CHR,C14,1,59.60,59.60,59.600,
CHR,C16,1,79.78,79.78,79.780,
CHR,C19,1,33.76,33.76,33.760,
CHR,C31,1,29.06,29.06,29.060,
CHR,C32,1,21.77,21.77,21.770,
CHR,CA,2,31.40,31.40,31.400,0.000
CHR,CB,2,30.30,30.30,30.300,0.000
CHR,H,2,9.72,9.72,9.720,0.000
CHR,H10,1,4.36,4.36,4.360,
CHR,H11,5,5.49,5.99,5.744,0.204
CHR,H12,1,7.07,7.07,7.070,
CHR,H121,2,2.63,2.63,2.630,0.000
CHR,H122,2,2.43,2.43,2.430,0.000
CHR,H13,1,5.98,5.98,5.980,
CHR,H131,2,3.68,3.68,3.680,0.000
CHR,H132,2,3.44,3.44,3.440,0.000
CHR,H14,1,3.58,3.58,3.580,
CHR,H15,1,3.42,3.42,3.420,
CHR,H16,1,3.65,3.65,3.650,
CHR,H17,1,4.06,4.06,4.060,
CHR,H23,1,7.40,7.40,7.400,
CHR,H24,1,8.15,8.15,8.150,
CHR,H27,1,7.51,7.51,7.510,
CHR,H29,1,6.83,6.83,6.830,
CHR,H33,1,5.40,5.40,5.400,
CHR,H4,4,6.70,7.78,7.213,0.593
CHR,H5,3,3.80,7.72,6.413,2.263
CHR,H8,5,5.84,6.99,6.610,0.482
CHR,HA,2,2.81,2.81,2.810,0.000
CHR,HB,2,2.81,2.81,2.810,0.000
CHR,HN21,2,2.59,2.61,2.600,0.014
CHR,HN22,2,2.20,2.26,2.230,0.042
CHR,HN31,2,3.51,3.55,3.530,0.028
CHR,HN32,2,3.16,3.27,3.215,0.078
CHR,HO5,2,6.73,7.05,6.890,0.226
CHR,HO6,2,8.03,8.52,8.275,0.346
CHR,N,2,117.95,117.95,117.950,0.000
CLE,C,1,182.4,182.4,182.400,
CLE,CA,3,54.97,55.9,55.318,0.507
CLE,CB,2,42.845,44.5,43.673,1.170
CLE,CD1,2,24.3,25.570,24.935,0.898
CLE,CD2,2,23.3,23.518,23.409,0.154
CLE,CG,2,27.1,27.329,27.215,0.162
CLE,H,9,7.670,8.29,7.978,0.244
CLE,HA,9,4.15,4.450,4.299,0.086
CLE,HB2,8,1.48,1.737,1.603,0.079
CLE,HB3,7,1.48,2.033,1.704,0.192
CLE,HD1,6,0.77,0.990,0.872,0.076
CLE,HD11,2,0.90,0.928,0.914,0.020
CLE,HD12,1,0.90,0.90,0.900,
CLE,HD13,1,0.90,0.90,0.900,
CLE,HD2,6,0.75,0.990,0.882,0.080
CLE,HD21,2,0.86,0.898,0.879,0.027
CLE,HD22,1,0.86,0.86,0.860,
CLE,HD23,1,0.86,0.86,0.860,
CLE,HG,7,1.43,2.006,1.616,0.196
CLE,HN21,1,7.483,7.483,7.483,
CLE,HN22,1,6.888,6.888,6.888,
CLE,HT1,4,7.15,7.22,7.187,0.029
CLE,HT2,4,6.97,8.60,7.774,0.677
CLE,N,2,115.0,125.43,120.215,7.375
CLE,N2,1,106.0,106.0,106.000,
CLE,NT,1,108.04,108.04,108.040,
CLG,H,1,7.76,7.76,7.760,
CLG,HA,1,4.68,4.68,4.680,
CLG,HB2,1,2.07,2.07,2.070,
CLG,HB3,1,1.95,1.95,1.950,
CLG,HD2,1,1.67,1.67,1.670,
CLG,HD3,1,1.67,1.67,1.670,
CLG,HE2,1,2.30,2.30,2.300,
CLG,HE3,1,2.21,2.21,2.210,
CLG,HG2,1,1.47,1.47,1.470,
CLG,HG3,1,1.47,1.47,1.470,
CLH,H,1,6.78,6.78,6.780,
CLH,HA,1,4.32,4.32,4.320,
CLH,HE2,1,1.56,1.56,1.560,
CLH,HE3,1,1.56,1.56,1.560,
CM0,H1',1,5.433,5.433,5.433,
CM0,H2',1,4.645,4.645,4.645,
CM0,H3',1,4.662,4.662,4.662,
CM0,H4',1,4.226,4.226,4.226,
CM0,H5',1,4.185,4.185,4.185,
CM0,H5'',1,4.035,4.035,4.035,
CM0,H6,1,7.318,7.318,7.318,
CM0,H7,1,4.235,4.235,4.235,
CM0,H8,1,4.235,4.235,4.235,
CMO,H1',1,5.396,5.396,5.396,
CMO,H2',1,4.643,4.643,4.643,
CMO,H3',1,4.675,4.675,4.675,
CMO,H4',1,4.286,4.286,4.286,
CMO,H5',1,4.197,4.197,4.197,
CMO,H5'',1,4.398,4.398,4.398,
CMO,H6,1,7.316,7.316,7.316,
CMO,H7,1,4.292,4.292,4.292,
CMR,H1',2,5.38,5.71,5.545,0.233
CMR,H2',2,2.13,2.16,2.145,0.021
CMR,H2'',2,1.74,2.03,1.885,0.205
CMR,H3',2,4.98,5.06,5.020,0.057
CMR,H4',2,4.19,4.29,4.240,0.071
CMR,H5,2,5.19,5.76,5.475,0.403
CMR,H6,2,7.09,7.48,7.285,0.276
CMR,P,2,35.48,35.74,35.610,0.184
CRO,CA,1,63.60,63.60,63.600,
CRO,CB,3,43.70,133.20,82.233,46.027
CRO,CD1,1,131.60,131.60,131.600,
CRO,CD2,1,131.60,131.60,131.600,
CRO,CE1,1,131.70,131.70,131.700,
CRO,CE2,1,131.70,131.70,131.700,
CRO,CG2,1,21.70,21.70,21.700,
CRO,H,1,8.58,8.58,8.580,
CRO,HA,1,3.86,3.86,3.860,
CRO,HB,1,3.96,3.96,3.960,
CRO,HB2,2,4.43,7.07,5.750,1.867
CRO,HB3,2,4.43,7.07,5.750,1.867
CRO,HD1,1,7.24,7.24,7.240,
CRO,HD2,1,7.24,7.24,7.240,
CRO,HE1,1,7.14,7.14,7.140,
CRO,HE2,1,7.14,7.14,7.140,
CRO,HG21,1,1.06,1.06,1.060,
CRO,HG22,1,1.06,1.06,1.060,
CRO,HG23,1,1.06,1.06,1.060,
CRO,N,1,109.20,109.20,109.200,
CSE,H,2,7.05,8.37,7.710,0.933
CSE,HA,2,4.17,5.19,4.680,0.721
CSE,HB2,2,3.28,3.83,3.555,0.389
CSE,HB3,2,3.13,3.47,3.300,0.240
CSP,C,1,172.988,172.988,172.988,
CSP,CA,1,57.023,57.023,57.023,
CSP,CB,1,33.282,33.282,33.282,
CSP,H,1,7.897,7.897,7.897,
CSP,HA,1,4.709,4.709,4.709,
CSP,HB2,1,3.557,3.557,3.557,
CSP,HB3,1,3.283,3.283,3.283,
CSP,N,1,115.838,115.838,115.838,
CTG,H1',2,5.462,5.630,5.546,0.119
CTG,H2',2,2.061,2.065,2.063,0.003
CTG,H2'',2,2.061,2.281,2.171,0.156
CTG,H3',2,4.530,4.574,4.552,0.031
CTG,H4',2,4.015,4.042,4.029,0.019
CTG,H5',2,3.785,4.097,3.941,0.221
CTG,H5'',1,3.967,3.967,3.967,
CTG,H6,2,4.577,4.698,4.638,0.086
CTG,H6x,1,4.910,4.910,4.910,
CTG,H71,1,0.912,0.912,0.912,
CTG,H72,1,0.912,0.912,0.912,
CTG,H73,1,0.912,0.912,0.912,
CTG,M7,1,0.488,0.488,0.488,
CTG,M7x,1,1.240,1.240,1.240,
CTG,P,1,1.765,1.765,1.765,
CTT,H15,2,4.193,4.279,4.236,0.061
CTT,H16,2,1.918,2.095,2.007,0.125
CTT,H17,2,1.644,1.954,1.799,0.219
CTT,H19,2,8.348,8.655,8.502,0.217
CTT,H20,2,2.397,2.820,2.609,0.299
CTT,H21,2,2.298,2.620,2.459,0.228
CY1,H,1,8.423,8.423,8.423,
CY1,HA,1,4.498,4.498,4.498,
CY1,HB2,1,3.054,3.054,3.054,
CY1,HB3,1,2.880,2.880,2.880,
CY3,H,3,8.35,8.69,8.483,0.181
CY3,HA,3,4.46,4.64,4.543,0.091
CY3,HB2,3,2.92,3.18,3.010,0.147
CY3,HB3,3,2.6,2.93,2.817,0.188
CYC,C,2,177.356,177.356,177.356,0.000
CYC,CA,2,58.566,58.566,58.566,0.000
CYC,CB,2,35.352,35.352,35.352,0.000
CYC,H,2,9.261,9.261,9.261,0.000
CYC,HA,2,4.18,4.18,4.180,0.000
CYC,HB2,2,3.397,3.397,3.397,0.000
CYC,HB3,2,2.84,2.84,2.840,0.000
CYC,N,2,117.937,117.937,117.937,0.000
CYM,C,5,170.467,174.492,173.075,1.645
CYM,CA,5,53.08,58.641,56.447,2.974
CYM,CB,5,28.149,45.23,34.912,9.153
CYM,H,2,8.73,9.04,8.885,0.219
CYM,HA,3,4.05,8.642,5.711,2.546
CYM,HB2,2,2.00,3.23,2.615,0.870
CYM,HB3,2,1.14,2.00,1.570,0.608
CYM,HD,1,2.27,2.27,2.270,
CYM,N,2,115.71,116.51,116.110,0.566
D1P,H5,3,4.515,4.632,4.593,0.068
D1P,H6,3,2.113,2.221,2.149,0.062
D1P,H7,3,1.85,1.95,1.883,0.058
D1P,H8,3,5.222,5.468,5.304,0.142
D33,H1',15,5.339,6.349,5.732,0.325
D33,H2,12,6.927,8.960,7.921,0.876
D33,H2',6,1.922,2.151,2.061,0.109
D33,H2'',6,2.315,2.546,2.457,0.111
D33,H2'1,9,1.963,2.585,2.253,0.222
D33,H2'2,9,2.099,2.741,2.437,0.216
D33,H3',12,4.508,4.815,4.675,0.125
D33,H4,14,5.960,7.667,6.867,0.603
D33,H4',15,3.223,4.433,3.966,0.375
D33,H5,15,6.774,7.751,7.242,0.311
D33,H5',2,4.077,4.077,4.077,0.000
D33,H5'',6,3.959,4.036,4.006,0.037
D33,H5'1,8,2.837,4.107,3.539,0.579
D33,H5'2,9,3.353,4.128,3.733,0.317
D3N,H10,1,6.013,6.013,6.013,
D3N,H12,1,6.477,6.477,6.477,
D3N,H13,1,7.121,7.121,7.121,
D3N,H14,1,7.081,7.081,7.081,
D3N,H15,1,6.936,6.936,6.936,
D3N,H16,1,6.860,6.860,6.860,
D3N,H3,1,3.930,3.930,3.930,
D3N,H4,1,3.739,3.739,3.739,
D3N,H5,1,4.097,4.097,4.097,
D3N,H6,1,4.885,4.885,4.885,
D3N,H8,1,1.654,1.654,1.654,
D3N,H9,1,2.403,2.403,2.403,
DA2,HA,2,3.740,3.743,3.742,0.002
DA2,HB2,2,1.863,1.867,1.865,0.003
DA2,HB3,2,1.863,1.867,1.865,0.003
DA2,HD2,2,3.152,3.178,3.165,0.018
DA2,HD3,2,3.152,3.178,3.165,0.018
DA2,HG2,2,1.634,1.634,1.634,0.000
DA2,HG3,2,1.634,1.634,1.634,0.000
DA2,HQ11,2,2.425,2.620,2.523,0.138
DA2,HQ12,2,2.425,2.620,2.523,0.138
DA2,HQ13,2,2.425,2.620,2.523,0.138
DA2,HQ21,2,2.425,2.620,2.523,0.138
DA2,HQ22,2,2.425,2.620,2.523,0.138
DA2,HQ23,2,2.425,2.620,2.523,0.138
DAB,CA,4,53.580,54.31,53.885,0.331
DAB,CB,4,31.50,33.700,32.408,1.061
DAB,CG,2,39.10,39.10,39.100,0.000
DAB,H,10,7.88,9.56,8.499,0.470
DAB,H1,1,2.04,2.04,2.040,
DAB,HA,9,4.16,4.794,4.370,0.185
DAB,HB2,9,1.53,2.17,1.874,0.241
DAB,HB3,9,1.81,2.126,1.960,0.111
DAB,HD2,2,7.93,8.12,8.025,0.134
DAB,HD3,1,8.12,8.12,8.120,
DAB,HG2,9,2.818,3.36,3.017,0.164
DAB,HG3,9,1.71,3.20,2.904,0.454
DAB,HZ,2,7.81,7.81,7.810,0.000
DAB,N,2,121.04,125,123.020,2.800
DAL,C,3,175.7,179.654,177.251,2.110
DAL,CA,18,50.48,57.703,53.037,2.492
DAL,CB,17,17.27,37.374,23.210,7.095
DAL,H,41,6.96,9.28,8.150,0.486
DAL,HA,41,3.806,5.006,4.312,0.205
DAL,HB,14,1.11,3.219,1.473,0.508
DAL,HB1,19,1.1568,3.2467,1.602,0.681
DAL,HB2,18,1.225,3.987,2.285,0.948
DAL,HB3,14,1.225,3.078,1.933,0.763
DAL,N,10,117.6,131.0,126.020,3.618
DAP,H3,1,4.41,4.41,4.410,
DAP,H4,1,3.28,3.28,3.280,
DAP,H5,1,3.41,3.41,3.410,
DAP,HN1,1,7.98,7.98,7.980,
DAP,HN2,1,7.84,7.84,7.840,
DAR,H,3,8.128,8.840,8.506,0.358
DAR,HA,3,4.209,4.643,4.395,0.223
DAR,HB2,3,1.830,1.872,1.848,0.022
DAR,HB3,3,1.802,1.841,1.824,0.020
DAR,HD2,3,3.179,3.208,3.191,0.015
DAR,HD3,3,3.179,3.208,3.191,0.015
DAR,HE,3,7.256,7.831,7.500,0.297
DAR,HG2,3,1.605,1.729,1.667,0.062
DAR,HG3,3,1.605,1.666,1.646,0.035
DAS,C,1,177.94,177.94,177.940,
DAS,CA,1,58.11,58.11,58.110,
DAS,CB,1,39.39,39.39,39.390,
DAS,H,3,8.28,8.74,8.472,0.239
DAS,HA,3,4.39,4.66,4.526,0.135
DAS,HB2,3,2.64,2.74,2.684,0.051
DAS,HB3,3,2.61,2.78,2.687,0.086
DAS,N,1,118.59,118.59,118.590,
DBB,CA,2,59.7100,61.5570,60.634,1.306
DBB,CB,2,44.1600,45.6500,44.905,1.054
DBB,CG,3,20.9400,36.724,26.641,8.757
DBB,H,5,7.9311,8.5580,8.311,0.231
DBB,HA,5,4.0994,4.5580,4.394,0.176
DBB,HB,1,3.5055,3.5055,3.506,
DBB,HB2,1,3.015,3.015,3.015,
DBB,HB3,2,3.2700,3.6890,3.480,0.296
DBB,HG1,1,0.9237,0.9237,0.924,
DBB,HG2,3,1.2600,3.176,1.918,1.090
DBB,HG21,1,1.3022,1.3022,1.302,
DBB,HG3,1,3.284,3.284,3.284,
DBP,H1,1,7.809,7.809,7.809,
DBP,H10,1,7.940,7.940,7.940,
DBP,H11,1,3.797,3.797,3.797,
DBP,H12,1,5.101,5.101,5.101,
DBP,H13,1,4.164,4.164,4.164,
DBP,H14,1,6.483,6.483,6.483,
DBP,H2,1,6.376,6.376,6.376,
DBP,H3,1,6.767,6.767,6.767,
DBP,H4,1,7.807,7.807,7.807,
DBP,H5,1,8.042,8.042,8.042,
DBP,H6,1,7.306,7.306,7.306,
DBP,H7,1,7.345,7.345,7.345,
DBP,H8,1,7.098,7.098,7.098,
DBP,H9,1,7.256,7.256,7.256,
DBU,C,4,169.9,173.4,172.025,1.664
DBU,CA,4,130.7,131.8,131.325,0.457
DBU,CB,12,124.946,138.2,131.484,4.045
DBU,CG,13,10.993,18.5,14.210,2.974
DBU,H,9,9.040,10.195,9.599,0.371
DBU,H1,5,8.37,9.738,8.794,0.540
DBU,HB,11,5.8416,6.672,6.321,0.281
DBU,HB1,5,6.22,6.30,6.262,0.030
DBU,HG,1,1.685,1.685,1.685,
DBU,HG1,6,1.64,1.835,1.704,0.067
DBU,HG2,4,1.64,1.69,1.675,0.024
DBU,HG21,2,1.6070,1.7927,1.700,0.131
DBU,HG3,4,1.64,1.69,1.675,0.024
DBU,N,5,113.834,123.0,120.147,3.883
DBU,QG,7,1.430,1.882,1.775,0.154
DCY,C,2,175.0,175.0,175.000,0.000
DCY,CA,2,81.8,81.8,81.800,0.000
DCY,CB,2,37.9,38.1,38.000,0.141
DCY,HA,2,4.98,5.01,4.995,0.021
DCY,HB1,2,3.16,3.18,3.170,0.014
DCY,HB2,2,3.69,3.73,3.710,0.028
DDA,C1,4,101.18,104.44,102.810,1.882
DDA,C2,6,38.06,56.80,44.997,9.190
DDA,C3,6,74.51,89.42,83.027,6.868
DDA,C4,8,77.68,90.11,82.543,5.482
DDA,C5,6,73.56,88.35,78.750,7.444
DDA,C6,8,14.66,29.64,21.080,5.776
DDA,H1,6,2.56,45.07,17.497,21.383
DDA,H21,3,1.11,13.46,5.450,6.945
DDA,H22,3,2.08,23.17,9.217,12.085
DDA,H2A,3,1.11,13.46,5.450,6.945
DDA,H2E,3,2.08,23.17,9.217,12.085
DDA,H3,6,2.25,21.82,9.240,9.765
DDA,H4,8,2.95,12.13,6.013,3.994
DDA,H5,6,2.88,22.68,9.603,10.130
DDA,H61,4,-3.84,9.64,2.080,5.584
DDA,H62,4,-3.84,9.64,2.080,5.584
DDA,H63,4,-3.84,9.64,2.080,5.584
DDA,HM6,4,-3.84,9.64,2.080,5.584
DDA,HO4,4,3.82,14.63,9.225,6.241
Dec_dzAb,H,1,9.6,9.6,9.600,
Dec_dzAb,HB,1,5.94,5.94,5.940,
Delta_A,H,2,9.84,10.11,9.975,0.191
Delta_A,HBC,1,5.73,5.73,5.730,
Delta_A,HBT,1,5.73,5.73,5.730,
DGL,CA,3,56.160,78.96,71.267,13.084
DGL,CB,3,5.681,18.75,14.364,7.520
DGL,CG,1,9.307,9.307,9.307,
DGL,H,3,7.302,8.83,8.067,0.764
DGL,HA,5,3.824,4.37,4.158,0.234
DGL,HB,2,1.33,1.35,1.340,0.014
DGL,HB1,2,1.659,1.970,1.815,0.220
DGL,HB2,3,1.659,2.02,1.821,0.183
DGL,HB3,1,2.02,2.02,2.020,
DGL,HG1,2,1.786,2.105,1.946,0.226
DGL,HG2,3,1.786,2.29,2.019,0.254
DGL,HG3,1,2.26,2.26,2.260,
DGN,C,2,177.5,178.5,178.000,0.707
DGN,CA,2,57.2,57.2,57.200,0.000
DGN,CB,2,30.6,30.8,30.700,0.141
DGN,CG,2,34.0,34.5,34.250,0.354
DGN,H,3,7.90,8.766,8.215,0.479
DGN,HA,3,4.16,4.384,4.235,0.129
DGN,HB2,3,1.96,2.395,2.165,0.219
DGN,HB3,3,1.74,2.260,1.967,0.266
DGN,HG2,3,1.938,2.31,2.146,0.190
DGN,HG3,3,1.938,2.31,2.109,0.188
DGN,N,2,123.2,124.0,123.600,0.566
DGP,H1',1,6.280,6.280,6.280,
DGP,H2',1,2.443,2.443,2.443,
DGP,H2'',1,2.765,2.765,2.765,
DGP,H3',1,4.664,4.664,4.664,
DGP,H4',1,4.205,4.205,4.205,
DGP,H5',1,3.909,3.909,3.909,
DGP,H5'',1,3.909,3.909,3.909,
DGP,H8,1,8.105,8.105,8.105,
DGP,HN21,1,6.310,6.310,6.310,
DGP,HN22,1,6.310,6.310,6.310,
DHA,C,11,164.9,169.0,167.059,1.739
DHA,CA,12,107.652,137.1,133.571,8.203
DHA,CB,15,27.064,156.855,99.353,32.120
DHA,H,21,5.943,10.476,9.132,1.120
DHA,HB1,18,2.837,6.76,5.941,0.903
DHA,HB2,24,2.553,6.410,5.450,0.658
DHA,HB3,6,5.097,5.987,5.405,0.324
DHA,N,11,116.4,124.873,120.998,2.609
DHA_2,H,2,8.224,9.169,8.697,0.668
DHA_2,HB1,2,5.958,6.253,6.106,0.209
DHA_2,HB2,2,5.458,5.499,5.479,0.029
DHA_2,N,2,123.031,126.596,124.814,2.521
DHAX,C,2,168.30,169.30,168.800,0.707
DHAX,CA,2,136.70,137.80,137.250,0.778
DHAX,CB,2,113.20,116.30,114.750,2.192
DHAX,H,2,9.11,9.76,9.435,0.460
DHAX,HB1,2,5.66,5.96,5.810,0.212
DHAX,HB2,2,5.55,5.68,5.615,0.092
DHAX,N,2,123.00,125.06,124.030,1.457
DHB_2,CG2,1,15.423,15.423,15.423,
DHB_2,H,1,12.663,12.663,12.663,
DHB_2,HB,1,6.033,6.033,6.033,
DHB_2,HG21,1,1.642,1.642,1.642,
DHB_2,N,1,139.087,139.087,139.087,
DHBX,C,1,168.90,168.90,168.900,
DHBX,CA,1,130.30,130.30,130.300,
DHBX,CB,1,137.90,137.90,137.900,
DHBX,CG1,1,15.40,15.40,15.400,
DHBX,H,2,9.11,9.73,9.420,0.438
DHBX,HA,1,6.70,6.70,6.700,
DHBX,HB,1,1.81,1.81,1.810,
DHBX,HB1,1,6.77,6.77,6.770,
DHBX,HD11,1,169.00,169.00,169.000,
DHBX,HD12,1,130.40,130.40,130.400,
DHBX,HD13,1,136.90,136.90,136.900,
DHBX,HG1,1,1.75,1.75,1.750,
DHBX,HG12,1,15.40,15.40,15.400,
DHBX,HG13,1,122.09,122.09,122.090,
DHBX,N,1,115.94,115.94,115.940,
DHE,H,1,8.2200,8.2200,8.220,
DHE,HB2,1,4.7000,4.7000,4.700,
DHE,HD1,1,7.150,7.150,7.150,
DHE,HD2,1,7.150,7.150,7.150,
DHE,HE1,1,7.3000,7.3000,7.300,
DHE,HE2,1,7.3000,7.3000,7.300,
DHE,HZ,1,7.6000,7.6000,7.600,
DHN,C,3,167.962,168.814,168.381,0.426
DHN,CA,3,128.979,129.727,129.456,0.415
DHN,CB,3,135.931,136.488,136.186,0.281
DHN,CG2,3,14.129,14.283,14.230,0.087
DHN,H,5,8.089,9.767,8.995,0.800
DHN,HA,2,4.234,4.314,4.274,0.057
DHN,HB,3,6.623,6.668,6.652,0.025
DHN,HB2,2,1.765,1.980,1.873,0.152
DHN,HB3,2,1.588,1.874,1.731,0.202
DHN,HG1,1,1.593,1.593,1.593,
DHN,HG2,1,1.920,1.920,1.920,
DHN,HG21,3,1.426,1.781,1.641,0.189
DHN,HG3,1,1.842,1.842,1.842,
DI,H1,1,13.859,13.859,13.859,
DI,H1',2,6.12,6.437,6.279,0.224
DI,H2,2,7.719,7.74,7.730,0.015
DI,H2',2,2.68,2.791,2.736,0.078
DI,H2'',2,2.81,3.180,2.995,0.262
DI,H3',2,4.95,5.103,5.027,0.108
DI,H4',2,4.40,4.658,4.529,0.182
DI,H8,2,8.246,8.26,8.253,0.010
DIL,CA,1,60.999,60.999,60.999,
DIL,H,1,8.632,8.632,8.632,
DIL,HA,1,4.300,4.300,4.300,
DIL,HB,1,1.975,1.975,1.975,
DIL,HD11,1,0.878,0.878,0.878,
DIL,HD12,1,0.878,0.878,0.878,
DIL,HD13,1,0.878,0.878,0.878,
DIL,HG12,1,1.195,1.195,1.195,
DIV,C,5,174.036,180.5,178.355,2.682
DIV,CA,5,59.606,61.3,60.659,0.792
DIV,CB1,7,25.2,30.221,27.812,1.784
DIV,CB2,7,20.235,27.9,23.247,2.521
DIV,CG,1,8.91,8.91,8.910,
DIV,CG1,6,6.938,62.186,16.723,22.296
DIV,H,7,7.414,8.06,7.800,0.220
DIV,HB11,4,1.19,2.327,2.010,0.548
DIV,HB12,6,1.70,1.922,1.829,0.091
DIV,HB13,3,2.140,2.281,2.230,0.078
DIV,HB2,1,1.44,1.44,1.440,
DIV,HB21,3,1.368,1.603,1.495,0.119
DIV,HB22,4,1.368,2.23,1.679,0.380
DIV,HB23,4,1.368,1.603,1.519,0.108
DIV,HG,1,0.78,0.78,0.780,
DIV,HG11,4,0.63,0.899,0.783,0.117
DIV,HG12,4,0.63,0.899,0.783,0.117
DIV,HG13,4,0.63,0.899,0.783,0.117
DIV,N,6,120.786,126.524,123.951,2.340
DIV,QB2,2,1.465,1.560,1.513,0.067
DIV,QG1,2,0.865,0.900,0.883,0.025
DKA,H21,1,2.303,2.303,2.303,
DKA,H31,1,1.143,1.143,1.143,
DKA,H41,1,1.007,1.007,1.007,
DKA,H51,1,0.908,0.908,0.908,
DKA,H61,1,0.841,0.841,0.841,
DKA,H71,1,0.650,0.650,0.650,
DLE,H,4,7.54,8.649,8.194,0.484
DLE,HA,4,4.355,4.47,4.401,0.049
DLE,HB2,4,1.48,1.676,1.568,0.082
DLE,HB3,4,1.52,1.676,1.603,0.082
DLE,HD1,1,0.926,0.926,0.926,
DLE,HD11,3,0.823,0.86,0.844,0.019
DLE,HD12,3,0.823,0.86,0.844,0.019
DLE,HD13,3,0.823,0.86,0.844,0.019
DLE,HD2,1,0.873,0.873,0.873,
DLE,HD21,3,0.755,0.92,0.852,0.086
DLE,HD22,3,0.755,0.92,0.852,0.086
DLE,HD23,3,0.755,0.92,0.852,0.086
DLE,HG,4,1.483,1.73,1.620,0.102
DLE,N,2,121.0,123.9,122.450,2.051
DLY,CA,1,57.880,57.880,57.880,
DLY,CB,1,32.430,32.430,32.430,
DLY,H,5,7.048,8.862,7.845,0.752
DLY,HA,5,4.107,4.256,4.173,0.062
DLY,HB2,5,1.444,1.765,1.543,0.130
DLY,HB3,5,1.444,1.765,1.543,0.130
DLY,HD2,5,1.402,1.689,1.504,0.111
DLY,HD3,5,1.402,1.689,1.504,0.111
DLY,HE2,4,2.656,2.746,2.695,0.039
DLY,HE3,4,2.656,2.746,2.695,0.039
DLY,HG2,5,0.992,1.354,1.152,0.131
DLY,HG3,5,0.992,1.481,1.178,0.182
DLY,HZ1,4,7.614,7.686,7.639,0.032
DLY,HZ2,4,7.614,7.686,7.639,0.032
DLY,HZ3,4,7.614,7.686,7.639,0.032
DNE,CA,15,50.700,52.988,51.949,0.675
DNE,H,15,6.35,8.60,7.833,0.788
DNE,HA,15,4.20,4.95,4.667,0.222
DNE,HB2,15,1.40,1.92,1.688,0.128
DNE,HD2,15,1.15,1.36,1.269,0.061
DNE,HE1,14,0.80,0.91,0.866,0.034
DNE,HG2,11,1.61,2.04,1.767,0.136
DNM,CA,3,54.873,55.9,55.524,0.566
DNM,HA,3,5.02,5.21,5.107,0.096
DNM,HB2,3,1.61,1.90,1.793,0.159
DNM,HC3,1,3.01,3.01,3.010,
DNM,HD2,3,1.20,1.28,1.243,0.040
DNM,HD3,2,1.14,1.19,1.165,0.035
DNM,HE1,3,0.80,0.86,0.840,0.035
DNM,HG2,3,1.39,1.84,1.557,0.247
DNP,H,3,7.87,8.33,8.093,0.230
DNP,HA,3,4.34,4.60,4.463,0.131
DNP,HB2,3,2.98,3.22,3.123,0.127
DNP,HB3,3,3.55,3.60,3.580,0.026
DNP,HG1,1,7.82,7.82,7.820,
DNS,CA,1,56.733,56.733,56.733,
DNS,H,1,7.846,7.846,7.846,
DNS,H10,1,7.292,7.292,7.292,
DNS,H11A,1,2.447,2.447,2.447,
DNS,H12,1,2.447,2.447,2.447,
DNS,H13,1,2.447,2.447,2.447,
DNS,H21,1,2.447,2.447,2.447,
DNS,H22,1,2.447,2.447,2.447,
DNS,H23,1,2.447,2.447,2.447,
DNS,H4,1,8.069,8.069,8.069,
DNS,H5,1,7.198,7.198,7.198,
DNS,H6,1,7.644,7.644,7.644,
DNS,H9,1,7.408,7.408,7.408,
DNS,HA,1,4.165,4.165,4.165,
DNS,HB2,1,1.779,1.779,1.779,
DNS,HB3,1,1.706,1.706,1.706,
DNS,HD2,1,1.706,1.706,1.706,
DNS,HD3,1,1.706,1.706,1.706,
DNS,HE2,1,2.773,2.773,2.773,
DNS,HE3,1,2.773,2.773,2.773,
DNS,HG2,1,1.266,1.266,1.266,
DNS,HG3,1,1.133,1.133,1.133,
DNS,HZ,1,6.953,6.953,6.953,
DOH,H,2,8.82,9.22,9.020,0.283
DOH,HA,2,5.06,5.16,5.110,0.071
DOH,HB,1,4.42,4.42,4.420,
DOH,HB2,1,4.78,4.78,4.780,
DPN,H,7,7.932,8.558,8.148,0.227
DPN,HA,9,4.357,5.445,4.678,0.340
DPN,HB2,8,2.749,3.546,3.052,0.321
DPN,HB3,8,2.659,3.546,2.975,0.365
DPN,HD1,7,6.778,7.298,7.084,0.204
DPN,HD2,4,6.778,7.259,7.110,0.225
DPN,HE1,5,7.163,7.359,7.251,0.086
DPN,HE2,2,7.271,7.359,7.315,0.062
DPN,HZ,1,7.228,7.228,7.228,
DPR,CA,2,61.740,61.800,61.770,0.042
DPR,CB,2,30.670,30.830,30.750,0.113
DPR,H,1,7.194,7.194,7.194,
DPR,HA,6,4.32,4.728,4.528,0.177
DPR,HB2,6,1.849,2.341,2.115,0.227
DPR,HB3,6,1.885,2.302,2.158,0.153
DPR,HD2,6,2.68,4.152,3.555,0.502
DPR,HD3,6,3.55,3.98,3.732,0.156
DPR,HG2,6,1.948,2.17,2.027,0.079
DPR,HG3,6,2.018,2.197,2.108,0.075
DQDPPN,CH21,4,5.43,5.94,5.733,0.219
DQDPPN,CH22,4,5.51,5.94,5.780,0.190
DQDPPN,H1,4,9.32,9.79,9.610,0.205
DQDPPN,H2,4,8.31,8.84,8.623,0.230
DQDPPN,H3,3,9.86,10.08,9.973,0.110
DQDPPN,H4,4,7.99,9.57,8.575,0.688
DQDPPN,H5,4,7.68,8.07,7.905,0.171
DQDPPN,H6,4,7.39,7.78,7.618,0.167
DSE,H,2,3.08,3.08,3.080,0.000
DSE,HA,2,4.91,4.92,4.915,0.007
DSE,HB2,2,3.95,3.96,3.955,0.007
DSE,HB3,2,4.03,4.03,4.030,0.000
DSG,C,1,177.664,177.664,177.664,
DSG,CA,2,50.4,67.093,58.747,11.804
DSG,CB,2,36.7,41.150,38.925,3.147
DSG,H,4,8.01,8.283,8.098,0.126
DSG,HA,3,4.47,4.65,4.543,0.095
DSG,HB2,4,2.50,3.231,2.703,0.354
DSG,HB3,3,2.52,3.128,2.763,0.322
DSG,HD21,4,6.93,7.787,7.279,0.407
DSG,HD22,4,6.75,7.37,7.069,0.307
DSG,N,1,119.193,119.193,119.193,
DSG,ND2,1,113.270,113.270,113.270,
DSN,C,2,174.9,178.135,176.518,2.287
DSN,CA,3,55.0,72.672,62.857,8.997
DSN,CB,3,31.2,65.273,52.524,18.585
DSN,H,8,7.81,8.453,8.193,0.224
DSN,HA,8,4.34,4.74,4.502,0.138
DSN,HB2,9,2.17,4.336,3.690,0.611
DSN,HB3,7,2.43,3.930,3.589,0.534
DSN,HG,2,1.454,4.87,3.162,2.415
DSN,N,1,116.425,116.425,116.425,
DTH,C,3,172.171,177.783,175.491,2.944
DTH,CA,2,72.363,72.429,72.396,0.047
DTH,CB,3,70.907,76.889,73.109,3.288
DTH,CG2,3,18.320,20.030,19.086,0.869
DTH,H,5,7.23,8.548,7.939,0.626
DTH,HA,2,4.667,4.718,4.693,0.036
DTH,HB,5,3.888,4.875,4.353,0.453
DTH,HG1,1,5.138,5.138,5.138,
DTH,HG21,4,1.113,1.193,1.154,0.033
DTH,HG22,4,1.113,1.193,1.154,0.033
DTH,HG23,4,1.113,1.193,1.154,0.033
DTH,N,3,119.761,123.631,121.252,2.082
DTR,CA,1,55.707,55.707,55.707,
DTR,CB,1,30.550,30.550,30.550,
DTR,CD1,1,127.900,127.900,127.900,
DTR,CE3,1,121.610,121.610,121.610,
DTR,CH2,1,124.760,124.760,124.760,
DTR,CZ2,1,114.840,114.840,114.840,
DTR,CZ3,1,121.900,121.900,121.900,
DTR,H,16,7.948,8.85,8.407,0.309
DTR,HA,16,4.350,5.360,4.641,0.325
DTR,HB1,1,3.280,3.280,3.280,
DTR,HB2,16,2.659,3.660,2.985,0.252
DTR,HB3,13,2.663,3.45,3.020,0.289
DTR,HD1,15,6.962,7.423,7.112,0.125
DTR,HE1,15,10.15,10.918,10.601,0.287
DTR,HE3,13,7.39,7.800,7.544,0.095
DTR,HH2,11,7.018,7.420,7.137,0.119
DTR,HZ2,12,7.301,7.690,7.388,0.117
DTR,HZ3,11,6.976,7.300,7.062,0.095
DTR,N,1,115.290,115.290,115.290,
DTT,H2,1,3.73,3.73,3.730,
DTT,H3,1,3.73,3.73,3.730,
DTY,CA,2,55.5,76.082,65.791,14.554
DTY,CB,2,35.4,45.007,40.204,6.793
DTY,CD1,1,129.5,129.5,129.500,
DTY,CD2,1,129.5,129.5,129.500,
DTY,CE1,1,114.9,114.9,114.900,
DTY,CE2,1,114.9,114.9,114.900,
DTY,H,3,8.204,8.56,8.351,0.186
DTY,HA,2,4.21,4.31,4.260,0.071
DTY,HB2,3,2.68,3.164,2.948,0.246
DTY,HB3,3,2.624,2.95,2.755,0.172
DTY,HD1,2,7.00,7.00,7.000,0.000
DTY,HD2,2,7.01,7.06,7.035,0.035
DTY,HE1,2,6.63,6.65,6.640,0.014
DTY,HE2,2,6.64,6.66,6.650,0.014
DTY,HH,2,9.18,9.19,9.185,0.007
DTY,N,1,129.274,129.274,129.274,
DU,H1',12,5.64,6.35,6.024,0.233
DU,H2',12,1.49,2.45,2.180,0.323
DU,H2'',12,1.954,2.80,2.520,0.254
DU,H3,8,11.22,14.38,13.036,1.441
DU,H3',12,4.488,4.91,4.797,0.144
DU,H4',12,3.758,4.51,4.253,0.191
DU,H5,12,1.98,5.73,4.013,1.780
DU,H5',9,3.722,4.24,4.067,0.211
DU,H5'',9,3.72,4.28,4.083,0.224
DU,H6,12,7.15,7.95,7.618,0.257
DU,P,2,-2.45,0.513,-0.969,2.095
DUR,H1',1,6.13,6.13,6.130,
DUR,H2',1,2.11,2.11,2.110,
DUR,H2'',1,2.39,2.39,2.390,
DUR,H3',1,4.66,4.66,4.660,
DUR,H4',1,4.22,4.22,4.220,
DUR,H5,1,5.81,5.81,5.810,
DUR,H5',1,4.05,4.05,4.050,
DUR,H5'',1,3.97,3.97,3.970,
DUR,H6,1,7.80,7.80,7.800,
DVA,H,2,8.135,8.358,8.247,0.158
DVA,HA,2,4.052,4.102,4.077,0.035
DVA,HB,2,2.040,2.086,2.063,0.033
DVA,HG1,2,0.955,0.983,0.969,0.020
DVA,HG2,2,0.918,0.961,0.940,0.030
DXB,C10,2,114.94,114.94,114.940,0.000
DXB,C1S,4,85.15,118.15,101.650,19.053
DXB,C2,2,80.82,80.82,80.820,0.000
DXB,C3S,4,74.50,82.35,78.425,4.532
DXB,C4,2,30.63,30.63,30.630,0.000
DXB,C4S,4,65.69,71.43,68.560,3.314
DXB,C5,2,102.55,102.55,102.550,0.000
DXB,C5S,4,16.72,21.53,19.125,2.777
DXB,CC7,4,13.02,36.67,24.845,13.654
DXB,CME,4,51.55,61.48,56.515,5.733
DXB,H10,4,6.61,15.25,10.930,4.988
DXB,H2,2,-59.28,4.59,-27.345,45.163
DXB,H21,2,-59.28,4.59,-27.345,45.163
DXB,H22,2,-59.28,4.59,-27.345,45.163
DXB,H3,4,-19.06,2.77,-8.145,12.604
DXB,H4A,4,-8.82,2.77,-3.025,6.691
DXB,H4E,4,-1.41,2.57,0.580,2.298
DXB,H5,4,6.91,32.16,19.535,14.578
DXB,HM1,2,-5.60,3.41,-1.095,6.371
DXB,HM11,2,-5.60,3.41,-1.095,6.371
DXB,HM12,2,-5.60,3.41,-1.095,6.371
DXB,HM13,2,-5.60,3.41,-1.095,6.371
DXB,HM5,2,-3.16,1.33,-0.915,3.175
DXB,HM51,2,-3.16,1.33,-0.915,3.175
DXB,HM52,2,-3.16,1.33,-0.915,3.175
DXB,HM53,2,-3.16,1.33,-0.915,3.175
DXB,HM7,2,2.60,26.93,14.765,17.204
DXB,HM71,2,2.60,26.93,14.765,17.204
DXB,HM72,2,2.60,26.93,14.765,17.204
DXB,HM73,2,2.60,26.93,14.765,17.204
DXB,HS1,4,-11.45,4.96,-3.245,9.474
DXB,HS3,4,-3.21,4.19,0.490,4.272
DXB,HS4,4,-1.69,4.27,1.290,3.441
dzAbu,H,4,9.27,10.08,9.550,0.366
dzAbu,HB,4,6.63,6.83,6.735,0.088
dzAbu,HG,1,1.85,1.85,1.850,
EAB,HA2,3,3.718,4.405,4.141,0.370
EAB,HA3,3,3.790,4.430,4.188,0.348
EAB,HD2,3,6.455,7.393,6.951,0.471
EAB,HE,3,5.492,7.631,6.494,1.076
EAB,HG1,3,5.807,7.819,6.887,1.014
EAB,HG2,3,6.327,7.474,6.959,0.582
EAB,HJ1,3,5.980,7.768,6.827,0.898
EAB,HJ2,2,6.031,6.673,6.352,0.454
EAB,HK2,3,6.887,7.657,7.208,0.400
EAB,HL,3,6.973,7.360,7.109,0.218
EAB,HM2,3,3.075,3.829,3.496,0.385
EAB,HM3,3,3.584,3.829,3.697,0.124
EAB,HN1,3,7.643,8.281,8.063,0.364
EB4,H10,1,6.05,6.05,6.050,
EB4,H11,1,5.84,5.84,5.840,
EB4,H12,1,6.01,6.01,6.010,
EB4,H13,1,6.67,6.67,6.670,
EB4,H14,1,6.37,6.37,6.370,
EB4,H15,1,5.98,5.98,5.980,
EB4,H7,1,6.27,6.27,6.270,
EB4,H8,1,6.25,6.25,6.250,
EB4,H9,1,6.99,6.99,6.990,
EDO,H11,1,3.76,3.76,3.760,
EDO,H12,1,3.76,3.76,3.760,
EDO,H21,1,4.06,4.06,4.060,
EDO,H22,1,3.98,3.98,3.980,
EHN,H1,1,3.36,3.36,3.360,
EHN,H2,1,3.72,3.72,3.720,
EHN,H4,1,2.85,2.85,2.850,
EHN,H5,1,3.72,3.72,3.720,
EMD,H12,1,6.64,6.64,6.640,
EMD,H13,1,7.24,7.24,7.240,
EMD,H171,1,2.96,2.96,2.960,
EMD,H172,1,2.96,2.96,2.960,
EMD,H20,1,6.94,6.94,6.940,
EMD,H23,1,6.86,6.86,6.860,
EMD,H24,1,6.95,6.95,6.950,
EMD,H251,1,3.69,3.69,3.690,
EMD,H252,1,3.69,3.69,3.690,
EMD,H253,1,3.69,3.69,3.690,
EMD,H261,1,3.79,3.79,3.790,
EMD,H262,1,3.79,3.79,3.790,
EMD,H263,1,3.79,3.79,3.790,
EMD,H6,1,4.11,4.11,4.110,
EMD,H71,1,1.24,1.24,1.240,
EMD,H72,1,1.24,1.24,1.240,
EMD,H73,1,1.24,1.24,1.240,
EMD,H9,1,7.60,7.60,7.600,
ETA,HA1,2,3.38,3.38,3.380,0.000
ETA,HA2,2,3.38,3.38,3.380,0.000
ETA,HB1,2,3.38,3.54,3.460,0.113
ETA,HB2,2,3.38,3.54,3.460,0.113
ETA,HN1,2,7.66,7.75,7.705,0.064
ETA,HN2,2,7.66,7.75,7.705,0.064
ETA,HO,2,3.79,3.82,3.805,0.021
ETA,N,2,111.70,112.10,111.900,0.283
F191,H10,1,7.160,7.160,7.160,
F191,H11,1,0.980,0.980,0.980,
F191,H12,1,1.160,1.160,1.160,
F191,H121,1,7.160,7.160,7.160,
F191,H131,1,7.320,7.320,7.320,
F191,H14,1,2.220,2.220,2.220,
F191,H21,1,3.200,3.200,3.200,
F191,H22,1,2.940,2.940,2.940,
F191,H31,1,3.000,3.000,3.000,
F191,H32,1,2.870,2.870,2.870,
F191,H41,1,3.000,3.000,3.000,
F191,H42,1,2.870,2.870,2.870,
F191,H51,1,3.200,3.200,3.200,
F191,H52,1,2.940,2.940,2.940,
F191,H71,1,3.480,3.480,3.480,
F191,H72,1,3.300,3.300,3.300,
F191,H9,1,7.320,7.320,7.320,
FA,H1',8,6.149,6.395,6.279,0.091
FA,H2,8,6.393,7.722,7.174,0.417
FA,H2',8,5.026,5.255,5.157,0.068
FA,H3',6,4.742,4.852,4.789,0.044
FA,H8,8,7.617,8.196,7.911,0.231
FAD,1H5*,1,4.388,4.388,4.388,
FAD,1HM7,1,1.216,1.216,1.216,
FAD,1HM8,1,1.328,1.328,1.328,
FAD,2H5*,1,4.130,4.130,4.130,
FAD,2HM7,1,1.216,1.216,1.216,
FAD,2HM8,1,1.328,1.328,1.328,
FAD,3HM7,1,1.216,1.216,1.216,
FAD,3HM8,1,1.328,1.328,1.328,
FAD,AC1*,1,87.180,87.180,87.180,
FAD,AC2*,1,74.896,74.896,74.896,
FAD,AC3*,1,70.087,70.087,70.087,
FAD,AC4*,1,83.830,83.830,83.830,
FAD,AC5*,1,65.245,65.245,65.245,
FAD,AH1*,1,6.160,6.160,6.160,
FAD,AH2*,1,4.550,4.550,4.550,
FAD,AH3*,1,4.508,4.508,4.508,
FAD,AH4*,1,4.413,4.413,4.413,
FAD,AH51,1,4.370,4.370,4.370,
FAD,AH52,1,4.238,4.238,4.238,
FAD,C1*,1,47.982,47.982,47.982,
FAD,C2*,1,69.732,69.732,69.732,
FAD,C3*,1,73.323,73.323,73.323,
FAD,C4*,1,71.274,71.274,71.274,
FAD,C5*,1,67.904,67.904,67.904,
FAD,H11*,1,5.201,5.201,5.201,
FAD,H12*,1,5.023,5.023,5.023,
FAD,H2*,1,4.491,4.491,4.491,
FAD,H3*,1,3.986,3.986,3.986,
FAD,H4*,1,4.136,4.136,4.136,
FAD,H9,1,7.986,7.986,7.986,
FAG,H1',2,5.620,6.332,5.976,0.503
FAG,H2',2,2.300,2.931,2.616,0.446
FAG,H2'',2,1.878,2.795,2.337,0.648
FAG,H2a,1,1.756,1.756,1.756,
FAG,H2A1,1,0.975,0.975,0.975,
FAG,H2A2,1,1.650,1.650,1.650,
FAG,H2b,1,1.840,1.840,1.840,
FAG,H3,1,11.81,11.81,11.810,
FAG,H3',2,4.541,5.032,4.787,0.347
FAG,H31,1,1.845,1.845,1.845,
FAG,H32,1,2.283,2.283,2.283,
FAG,H3a,1,2.571,2.571,2.571,
FAG,H3b,1,3.189,3.189,3.189,
FAG,H4',2,4.108,4.645,4.377,0.380
FAG,H5,1,5.723,5.723,5.723,
FAG,H5',2,3.820,4.216,4.018,0.280
FAG,H5'',2,3.737,4.451,4.094,0.505
FAG,H5B,2,5.708,5.730,5.719,0.016
FAG,H6a,2,6.130,6.138,6.134,0.006
FAG,H8,2,8.272,8.328,8.300,0.040
FAG,H8A,2,5.657,5.775,5.716,0.083
FAG,H9,2,6.103,6.157,6.130,0.038
FAG,H9a,2,3.467,3.655,3.561,0.133
FAG,HM,1,3.510,3.510,3.510,
FAG,HN21,1,6.319,6.319,6.319,
FAG,HN22,1,6.777,6.777,6.777,
FAG,Me,1,3.757,3.757,3.757,
FC,H1',2,5.798,5.812,5.805,0.010
FC,H2',2,5.056,5.116,5.086,0.042
FC,H5,2,5.415,5.672,5.544,0.182
FC,H6,2,7.649,7.747,7.698,0.069
FDA,1HM7,1,8.506,8.506,8.506,
FDA,1HM8,1,6.711,6.711,6.711,
FDA,2HM8,1,6.899,6.899,6.899,
FDA,AH61,1,7.163,7.163,7.163,
FDA,AH62,1,7.985,7.985,7.985,
FDA,AN6,1,84.432,84.432,84.432,
FDA,HN3,1,10.604,10.604,10.604,
FDA,N3,1,118.095,118.095,118.095,
FG,H1,3,12.446,13.086,12.670,0.361
FG,H1',4,5.877,6.197,6.093,0.147
FG,H2',4,5.096,5.570,5.226,0.230
FG,H3',2,4.516,4.688,4.602,0.122
FG,H8,4,6.963,8.095,7.473,0.498
FME,C,5,174.943,176.36,175.703,0.691
FME,C1,1,181.559,181.559,181.559,
FME,CA,6,53.33,55.38,54.440,0.813
FME,CB,5,33.01,33.797,33.255,0.318
FME,CE,5,16.83,18.00,17.396,0.523
FME,CG,5,27.61,33.26,31.600,2.308
FME,CN,2,167.11,167.25,167.180,0.099
FME,H,6,8.59,8.69,8.615,0.040
FME,H1,1,8.141,8.141,8.141,
FME,HA,9,4.42,4.70,4.527,0.085
FME,HB1,1,1.913,1.913,1.913,
FME,HB2,9,1.998,2.63,2.175,0.221
FME,HB3,8,2.00,2.63,2.167,0.193
FME,HCN,4,8.14,8.71,8.306,0.271
FME,HE1,5,2.03,2.07,2.054,0.017
FME,HE2,2,2.03,2.07,2.050,0.028
FME,HE3,2,2.03,2.07,2.050,0.028
FME,HG2,9,2.13,2.77,2.565,0.201
FME,HG3,8,1.94,2.64,2.514,0.238
FME,HN,1,8.157,8.157,8.157,
FME,N,7,127.44,129.20,128.358,0.647
FMN,C1R,1,50.558,50.558,50.558,
FMN,C2R,1,71.815,71.815,71.815,
FMN,C3R,1,76.290,76.290,76.290,
FMN,C6,1,132.795,132.795,132.795,
FMN,C7M,1,20.532,20.532,20.532,
FMN,C8M,1,24.282,24.282,24.282,
FMN,C9,1,119.376,119.376,119.376,
FMN,H1R1,1,5.063,5.063,5.063,
FMN,H1R2,1,4.863,4.863,4.863,
FMN,H2R,1,4.402,4.402,4.402,
FMN,H3,1,12.360,12.360,12.360,
FMN,H3R,1,3.918,3.918,3.918,
FMN,H6,1,7.670,7.670,7.670,
FMN,H7M1,1,1.241,1.241,1.241,
FMN,H8M1,1,2.547,2.547,2.547,
FMN,H9,1,7.879,7.879,7.879,
FMN,N3,1,162.270,162.270,162.270,
FTR,H,1,9.240,9.240,9.240,
FTR,HD1,1,6.800,6.800,6.800,
FTR,HE1,1,9.950,9.950,9.950,
FTR,HE3,1,7.200,7.200,7.200,
FTR,HH2,1,6.800,6.800,6.800,
FTR,HZ2,1,7.210,7.210,7.210,
FTR,N,1,123.830,123.830,123.830,
FU,H1',7,5.822,6.013,5.898,0.085
FU,H2',7,4.918,5.418,5.099,0.172
FU,H3,3,13.875,14.148,13.984,0.144
FU,H3',2,4.288,4.613,4.451,0.230
FU,H5,7,5.096,5.676,5.431,0.217
FU,H6,7,7.269,7.882,7.669,0.222
FUC,C1,4,101.044,101.959,101.439,0.381
FUC,C2,4,70.354,70.823,70.571,0.219
FUC,C3,4,71.785,72.298,71.983,0.220
FUC,C4,4,74.301,74.679,74.549,0.169
FUC,C5,4,69.421,69.586,69.476,0.078
FUC,C6,4,18.049,18.129,18.093,0.034
FUC,H1,8,4.35,5.447,5.037,0.354
FUC,H2,8,3.43,3.790,3.658,0.139
FUC,H3,8,3.55,4.161,3.856,0.177
FUC,H4,8,3.64,3.923,3.814,0.084
FUC,H5,8,3.68,5.054,4.478,0.490
FUC,H6,1,1.033,1.033,1.033,
FUC,H61,7,1.029,1.260,1.160,0.086
FUC,H62,7,1.029,1.260,1.160,0.086
FUC,H63,7,1.029,1.260,1.160,0.086
G48,H1,6,11.937,12.877,12.498,0.443
G48,H1',6,5.831,6.023,5.925,0.086
G48,H2',6,4.327,4.477,4.422,0.074
G48,H3',6,4.539,4.628,4.579,0.040
G48,H8,6,7.410,7.650,7.509,0.112
G48,HCA*,6,4.268,4.349,4.298,0.040
G48,HCD*,6,3.473,3.496,3.486,0.011
GAL,C1,4,102.831,104.565,104.094,0.843
GAL,C2,4,73.749,78.877,75.988,2.637
GAL,C3,4,75.149,76.265,75.712,0.636
GAL,C4,4,71.059,71.700,71.320,0.311
GAL,C5,4,77.612,77.882,77.696,0.127
GAL,C6,4,63.675,64.290,64.115,0.294
GAL,H1,4,4.438,4.603,4.498,0.074
GAL,H2,4,3.493,3.724,3.587,0.110
GAL,H3,4,3.646,3.842,3.733,0.098
GAL,H4,4,3.818,3.896,3.861,0.039
GAL,H5,4,3.577,3.603,3.589,0.011
GAL,H61,4,3.695,3.740,3.719,0.019
GAL,H62,4,3.704,3.751,3.724,0.020
GF2,H1',4,5.909,6.113,5.994,0.100
GF2,H2',4,5.031,5.486,5.298,0.192
GF2,H3',2,4.506,4.823,4.665,0.224
GF2,H4',4,4.267,4.569,4.476,0.142
GF2,H5',2,4.195,4.469,4.332,0.194
GF2,H5'A,2,4.216,4.451,4.334,0.166
GF2,H8,4,7.484,7.551,7.511,0.031
GF2,HN1,3,12.032,13.204,12.618,0.586
GF2,HN2,1,5.529,5.529,5.529,
GF2,HN2A,1,7.837,7.837,7.837,
GFL,F,4,-119.468,-118.553,-118.953,0.460
GFL,H1',5,5.835,6.272,6.022,0.182
GFL,H2',5,5.133,5.579,5.457,0.186
GFL,H3',5,4.633,5.145,4.951,0.190
GFL,H4',5,4.034,4.709,4.261,0.275
GFL,H5'1,1,4.490,4.490,4.490,
GFL,H5'2,1,4.541,4.541,4.541,
GFL,H8,5,7.427,8.032,7.613,0.245
GFL,HN1,4,11.739,13.010,12.526,0.569
GGL,HA,4,3.935,4.393,4.236,0.211
GGL,HB2,4,1.845,2.175,1.975,0.157
GGL,HB3,4,2.121,2.228,2.153,0.050
GGL,HG,2,2.222,2.293,2.258,0.050
GGL,HG2,2,2.312,2.456,2.384,0.102
GGL,HG3,2,2.386,2.507,2.447,0.086
GGL,HN,2,7.808,7.893,7.851,0.060
GLC,C1,1,105.0,105.0,105.000,
GLC,C2,1,75.6,75.6,75.600,
GLC,C3,1,76.8,76.8,76.800,
GLC,C4,1,81.1,81.1,81.100,
GLC,C5,1,77.5,77.5,77.500,
GLC,C6,1,62.6,62.6,62.600,
GLC,H1,1,4.53,4.53,4.530,
GLC,H2,1,3.36,3.36,3.360,
GLC,H3,1,3.66,3.66,3.660,
GLC,H4,1,3.67,3.67,3.670,
GLC,H5,1,3.62,3.62,3.620,
GLC,H61,1,3.98,3.98,3.980,
GLC,H62,1,3.82,3.82,3.820,
GLZ,CA,1,46.93,46.93,46.930,
GLZ,H,1,8.06,8.06,8.060,
GLZ,N,1,114.56,114.56,114.560,
GM1,H,1,8.12,8.12,8.120,
GM1,H21,1,3.62,3.62,3.620,
GM1,H22,1,3.69,3.69,3.690,
GM1,HA2,1,3.95,3.95,3.950,
GM1,HA3,1,3.81,3.81,3.810,
GM1,HN11,1,7.77,7.77,7.770,
GM1,NH21,1,7.26,7.26,7.260,
GM1,NH22,1,6.86,6.86,6.860,
GMP,H1',1,5.511,5.511,5.511,
GMP,H8,1,8.141,8.141,8.141,
GND,HA,1,4.144,4.144,4.144,
GND,HB1,1,1.62,1.62,1.620,
GND,HB2,1,2.204,2.204,2.204,
GND,HG1,1,2.212,2.212,2.212,
GND,HG2,1,2.092,2.092,2.092,
GND,HH21,1,7.472,7.472,7.472,
GND,HH22,1,6.773,6.773,6.773,
GND,NH1,1,7.314,7.314,7.314,
GNP,H1,3,13.055,13.068,13.064,0.008
GNP,H1',3,6.016,6.106,6.052,0.048
GNP,H2',2,4.582,4.904,4.743,0.228
GNP,H21,3,6.283,6.351,6.306,0.039
GNP,H22,3,6.283,6.351,6.306,0.039
GNP,H3',2,4.349,4.722,4.536,0.264
GNP,H5'2,1,1.482,1.482,1.482,
GNP,H8,3,7.920,8.091,8.006,0.086
GNP,HN1,2,10.733,13.249,11.991,1.779
GNP,HN21,1,12.781,12.781,12.781,
GNP,HN22,1,12.781,12.781,12.781,
GPR,HA,2,4.546,4.568,4.557,0.016
GPR,HB2,1,2.697,2.697,2.697,
GPR,HB3,1,2.079,2.079,2.079,
GPR,HD2,2,3.882,3.969,3.926,0.062
GPR,HD3,2,3.499,3.603,3.551,0.074
GPR,HG11,1,2.035,2.035,2.035,
GPR,HG12,1,2.035,2.035,2.035,
GPR,QB,1,2.495,2.495,2.495,
GTP,C1',1,91.099,91.099,91.099,
GTP,C2',1,75.699,75.699,75.699,
GTP,C3',1,75.499,75.499,75.499,
GTP,C4',1,84.399,84.399,84.399,
GTP,C5',1,67.699,67.699,67.699,
GTP,C8,1,139.599,139.599,139.599,
GTP,H1',2,5.723,5.957,5.840,0.165
GTP,H2',1,4.723,4.723,4.723,
GTP,H3',2,4.552,4.683,4.618,0.093
GTP,H4',2,4.379,4.473,4.426,0.066
GTP,H5',2,4.273,4.612,4.443,0.240
GTP,H5'',2,4.183,4.342,4.263,0.112
GTP,H8,2,8.043,8.143,8.093,0.071
GTP,HN1,1,10.767,10.767,10.767,
GTT,HA1,1,3.32,3.32,3.320,
GTT,HA2,1,5.00,5.00,5.000,
GTT,HA31,1,3.60,3.60,3.600,
GTT,HA32,1,4.00,4.00,4.000,
GTT,HB11,1,1.90,1.90,1.900,
GTT,HB12,1,0.65,0.65,0.650,
GTT,HB21,1,2.97,2.97,2.970,
GTT,HB22,1,4.04,4.04,4.040,
GTT,HG11,1,2.67,2.67,2.670,
GTT,HG12,1,2.35,2.35,2.350,
GTT,HN2,1,9.58,9.58,9.580,
GTT,HN3,1,8.65,8.65,8.650,
GXL,C1,2,101.240,102.326,101.783,0.768
GXL,C2,2,70.924,70.990,70.957,0.047
GXL,C3,2,71.588,71.840,71.714,0.178
GXL,C4,1,72.194,72.194,72.194,
GXL,C5,2,72.918,73.234,73.076,0.223
GXL,C6,2,63.005,64.315,63.660,0.926
GXL,H1,2,5.030,5.340,5.185,0.219
GXL,H2,2,3.789,3.833,3.811,0.031
GXL,H3,2,3.676,3.972,3.824,0.209
GXL,H4,2,3.813,3.859,3.836,0.033
GXL,H5,2,4.212,4.240,4.226,0.020
GXL,H6C1,2,3.674,3.771,3.723,0.069
GXL,H6C2,2,3.674,3.681,3.678,0.005
GYC,CA,2,48.518,49.362,48.940,0.597
GYC,CB,2,24.75,25.808,25.279,0.748
GYC,H,2,7.321,7.436,7.379,0.081
GYC,N,2,113.537,115.672,114.605,1.510
HAL,CA,2,53.60,53.60,53.600,0.000
HAL,HA,2,6.30,6.30,6.300,0.000
HEB,HAA1,2,3.52,14.24,8.880,7.580
HEB,HAA2,2,2.63,5.63,4.130,2.121
HEB,HAB,2,3.93,6.65,5.290,1.923
HEB,HAB2,1,2.75,2.75,2.750,
HEB,HAC,3,6.67,8.02,7.443,0.696
HEB,HAD1,2,8.40,13.05,10.725,3.288
HEB,HAD2,2,7.75,12.27,10.010,3.196
HEB,HBA1,2,-0.11,1.11,0.500,0.863
HEB,HBA2,2,-0.57,0.20,-0.185,0.544
HEB,HBB1,3,0.82,3.44,2.167,1.312
HEB,HBB2,3,0.82,3.44,2.167,1.312
HEB,HBB3,3,0.82,3.44,2.167,1.312
HEB,HBC1,3,-2.04,6.06,1.710,4.083
HEB,HBC2,3,-2.44,5.58,1.773,4.025
HEB,HBD1,2,0.46,1.38,0.920,0.651
HEB,HBD2,2,0.75,1.12,0.935,0.262
HEB,HHA,3,-2.30,9.57,2.417,6.299
HEB,HHB,3,0.61,9.37,4.063,4.665
HEB,HHC,3,-3.22,9.11,2.317,6.260
HEB,HHD,3,-1.26,9.06,2.957,5.413
HEB,HMA1,3,3.18,13.27,8.797,5.141
HEB,HMA2,3,3.18,13.27,8.797,5.141
HEB,HMA3,3,3.18,13.27,8.797,5.141
HEB,HMB1,3,3.22,11.00,7.730,4.036
HEB,HMB2,3,3.22,11.00,7.730,4.036
HEB,HMB3,3,3.22,11.00,7.730,4.036
HEB,HMC1,3,3.40,15.70,10.383,6.317
HEB,HMC2,3,3.40,15.70,10.383,6.317
HEB,HMC3,3,3.40,15.70,10.383,6.317
HEB,HMD1,3,2.67,19.41,11.730,8.455
HEB,HMD2,3,2.67,19.41,11.730,8.455
HEB,HMD3,3,2.67,19.41,11.730,8.455
HEC,1HAA,5,0.823,12.378,5.358,4.240
HEC,1HAD,6,1.442,17.92,6.457,5.909
HEC,1HBA,5,-1.215,4.08,1.219,2.340
HEC,1HBB,2,5.36,5.36,5.360,0.000
HEC,1HBC,2,6.38,6.40,6.390,0.014
HEC,1HBD,6,-1.446,4.68,1.273,2.305
HEC,1HMA,4,3.36,44.49,23.350,23.102
HEC,1HMB,4,3.52,9.87,6.425,3.383
HEC,1HMC,4,4.32,38.22,20.820,19.056
HEC,1HMD,4,3.38,15.79,9.190,6.734
HEC,2HAA,4,3.119,6.802,4.105,1.800
HEC,2HAD,4,1.765,17.683,7.466,7.071
HEC,2HBA,4,-1.383,3.79,0.387,2.381
HEC,2HBB,2,5.36,5.36,5.360,0.000
HEC,2HBC,2,6.38,6.40,6.390,0.014
HEC,2HBD,3,-1.147,0.108,-0.711,0.710
HEC,2HMA,4,3.36,44.49,23.350,23.102
HEC,2HMB,4,3.52,9.87,6.425,3.383
HEC,2HMC,4,4.32,38.22,20.820,19.056
HEC,2HMD,4,3.38,15.79,9.190,6.734
HEC,3HBC,2,6.38,6.40,6.390,0.014
HEC,3HMA,4,3.36,44.49,23.350,23.102
HEC,3HMB,4,3.52,9.87,6.425,3.383
HEC,3HMC,4,4.32,38.22,20.820,19.056
HEC,3HMD,4,3.38,15.79,9.190,6.734
HEC,CAA,2,-21.7,24.628,1.464,32.759
HEC,CAB,2,5.3,35.982,20.641,21.695
HEC,CAC,1,39.69,39.69,39.690,
HEC,CAD,2,-4.0,24.576,10.288,20.206
HEC,CBA,2,44.845,111.8,78.323,47.344
HEC,CBB,2,26.263,41.2,33.732,10.562
HEC,CBC,2,22.395,90.1,56.248,47.875
HEC,CBD,2,44.055,82.0,63.028,26.831
HEC,CHA,1,98.044,98.044,98.044,
HEC,CHB,1,98.033,98.033,98.033,
HEC,CHC,1,99.366,99.366,99.366,
HEC,CHD,1,99.285,99.285,99.285,
HEC,CMA,1,13.043,13.043,13.043,
HEC,CMB,2,-29.6,15.285,-7.158,31.738
HEC,CMC,1,15.108,15.108,15.108,
HEC,CMD,2,-32.8,15.055,-8.873,33.839
HEC,HA,1,10.298,10.298,10.298,
HEC,HAA1,26,-2.66,15.39,6.223,4.982
HEC,HAA2,25,1.97,14.49,5.594,3.037
HEC,HAB,33,-1.782,6.86,2.082,3.106
HEC,HAC,35,-3.26,6.55,1.930,3.298
HEC,HAD1,26,-3.96,17.774,4.294,6.320
HEC,HAD2,23,-4.07,17.14,3.380,6.180
HEC,HAM,1,9.29,9.29,9.290,
HEC,HB2,1,9.61,9.61,9.610,
HEC,HB3,1,11.494,11.494,11.494,
HEC,HBA1,25,-3.61,3.46,1.444,1.954
HEC,HBA2,24,-3.77,3.62,1.333,2.127
HEC,HBB,24,-3.68,2.95,0.045,1.997
HEC,HBB1,7,-1.37,2.034,0.882,1.441
HEC,HBB2,6,-1.37,2.034,0.723,1.510
HEC,HBB3,4,-1.37,2.034,0.094,1.489
HEC,HBC,23,-2.36,2.98,0.521,1.776
HEC,HBC1,8,-1.855,2.47,0.895,1.604
HEC,HBC2,7,-1.855,2.43,0.669,1.590
HEC,HBC3,7,-1.855,2.43,0.669,1.590
HEC,HBD1,23,-0.94,4.239,1.483,1.586
HEC,HBD2,24,-1.27,3.947,1.049,1.734
HEC,HBM,1,9.62,9.62,9.620,
HEC,HDM,1,9.02,9.02,9.020,
HEC,HGM,1,9.59,9.59,9.590,
HEC,HHA,34,-1.17,12.46,6.890,4.574
HEC,HHB,31,-3.60,10.33,3.958,5.105
HEC,HHC,35,-2.58,12.59,6.583,5.167
HEC,HHD,35,-6.37,10.44,4.690,5.646
HEC,HM3,4,9.54,23.08,13.098,6.661
HEC,HMA,24,-3.93,32.43,13.881,13.693
HEC,HMA1,8,-0.841,24.913,14.214,10.808
HEC,HMA2,7,-0.841,24.913,15.708,10.745
HEC,HMA3,7,-0.841,24.913,15.708,10.745
HEC,HMB,24,3.18,19.16,10.329,6.411
HEC,HMB1,8,3.62,18.54,12.382,6.192
HEC,HMB2,7,3.68,18.54,13.634,5.487
HEC,HMB3,7,3.68,18.54,13.634,5.487
HEC,HMC,19,3.02,32.27,9.817,7.977
HEC,HMC1,8,3.27,22.29,13.077,7.453
HEC,HMC2,7,3.87,22.29,14.478,6.818
HEC,HMC3,7,3.87,22.29,14.478,6.818
HEC,HMD,24,3.07,20.95,11.247,7.161
HEC,HMD1,8,3.22,23.24,15.299,8.731
HEC,HMD2,7,3.32,23.24,17.024,7.819
HEC,HMD3,7,3.32,23.24,17.024,7.819
HEC,HP61,1,3.46,3.46,3.460,
HEC,HP62,1,4.17,4.17,4.170,
HEC,HP64,1,3.93,3.93,3.930,
HEC,HP71,1,4.14,4.14,4.140,
HEC,HP72,1,3.63,3.63,3.630,
HEC,HT2A,1,5.20,5.20,5.200,
HEC,HT4A,1,6.36,6.36,6.360,
HEC,QM1,1,3.50,3.50,3.500,
HEC,QM3,1,3.84,3.84,3.840,
HEC,QM5,1,3.59,3.59,3.590,
HEC,QM8,1,2.16,2.16,2.160,
HEC,QT2,1,1.44,1.44,1.440,
HEC,QT4,1,2.58,2.58,2.580,
HEC_ox,1HAA,1,8.11,8.11,8.110,
HEC_ox,1HAD,1,9.61,9.61,9.610,
HEC_ox,1HBA,1,-0.09,-0.09,-0.090,
HEC_ox,1HBC,1,0.21,0.21,0.210,
HEC_ox,1HBD,1,-2.16,-2.16,-2.160,
HEC_ox,1HMA,1,14.56,14.56,14.560,
HEC_ox,1HMB,1,8.62,8.62,8.620,
HEC_ox,1HMC,1,17.57,17.57,17.570,
HEC_ox,1HMD,1,12.80,12.80,12.800,
HEC_ox,2HAA,1,4.63,4.63,4.630,
HEC_ox,2HAD,1,3.83,3.83,3.830,
HEC_ox,2HBA,1,-0.40,-0.40,-0.400,
HEC_ox,2HBC,1,0.21,0.21,0.210,
HEC_ox,2HBD,1,0.62,0.62,0.620,
HEC_ox,2HMA,1,14.56,14.56,14.560,
HEC_ox,2HMB,1,8.62,8.62,8.620,
HEC_ox,2HMC,1,17.57,17.57,17.570,
HEC_ox,2HMD,1,12.80,12.80,12.800,
HEC_ox,3HBC,1,0.21,0.21,0.210,
HEC_ox,3HMA,1,14.56,14.56,14.560,
HEC_ox,3HMB,1,8.62,8.62,8.620,
HEC_ox,3HMC,1,17.57,17.57,17.570,
HEC_ox,3HMD,1,12.80,12.80,12.800,
HEC_ox,HAB,1,-2.27,-2.27,-2.270,
HEC_ox,HAC,1,-0.42,-0.42,-0.420,
HEC_ox,HHA,1,1.57,1.57,1.570,
HEC_ox,HHB,1,-2.38,-2.38,-2.380,
HEC_ox,HHC,1,2.43,2.43,2.430,
HEM,1HAD,1,3.58,3.58,3.580,
HEM,1HBB,1,2.47,2.47,2.470,
HEM,1HBC,1,2.44,2.44,2.440,
HEM,1HMA,1,2.93,2.93,2.930,
HEM,1HMB,1,3.70,3.70,3.700,
HEM,1HMC,1,3.64,3.64,3.640,
HEM,1HMD,1,3.39,3.39,3.390,
HEM,2HAD,1,3.58,3.58,3.580,
HEM,2HBB,1,2.47,2.47,2.470,
HEM,2HBC,1,2.44,2.44,2.440,
HEM,2HMA,1,2.93,2.93,2.930,
HEM,2HMB,1,3.70,3.70,3.700,
HEM,2HMC,1,3.64,3.64,3.640,
HEM,2HMD,1,3.39,3.39,3.390,
HEM,3HBC,1,2.44,2.44,2.440,
HEM,3HMA,1,2.93,2.93,2.930,
HEM,3HMB,1,3.70,3.70,3.700,
HEM,3HMC,1,3.64,3.64,3.640,
HEM,3HMD,1,3.39,3.39,3.390,
HEM,CAA,3,-29.6,24.9,6.633,31.379
HEM,CAB,3,10.5,36.2,27.200,14.477
HEM,CAC,2,38.6,39.0,38.800,0.283
HEM,CAD,3,1.75,25.7,17.650,13.770
HEM,CBA,3,24.7,123.2,63.800,52.294
HEM,CBB,10,0.480,34.9,9.785,12.804
HEM,CBC,10,0.406,101.9,15.993,31.479
HEM,CBD,2,25.8,45.8,35.800,14.142
HEM,CHA,2,97.0,98.1,97.550,0.778
HEM,CHB,2,99.4,99.8,99.600,0.283
HEM,CHC,2,98.9,99.8,99.350,0.636
HEM,CHD,2,97.6,100.2,98.900,1.838
HEM,CMA,5,3.295,12.4,7.036,4.900
HEM,CMB,10,-22.7,16.1,3.536,10.508
HEM,CMC,9,2.977,15.1,5.977,5.160
HEM,CMD,10,-24.9,14.6,2.748,10.771
HEM,H,4,6.137,7.978,7.016,0.774
HEM,H2D,1,12.38,12.38,12.380,
HEM,HA,4,3.972,4.540,4.337,0.250
HEM,HA62,3,3.448,3.872,3.698,0.222
HEM,HA63,3,4.130,4.240,4.187,0.055
HEM,HA72,3,3.912,4.444,4.158,0.268
HEM,HA73,3,3.927,4.153,4.017,0.120
HEM,HAA,4,4.27,4.76,4.450,0.214
HEM,HAA1,15,0.00,13.58,5.308,3.920
HEM,HAA2,16,-1.02,19.14,4.974,5.218
HEM,HAAA,4,3.11,3.93,3.653,0.375
HEM,HAB,23,-1.31,16.82,7.256,4.010
HEM,HAB1,1,5.992,5.992,5.992,
HEM,HAC,23,2.17,8.290,6.356,1.283
HEM,HAC1,1,6.210,6.210,6.210,
HEM,HAD,4,3.87,4.57,4.313,0.315
HEM,HAD1,16,-1.33,16.06,4.773,3.820
HEM,HAD2,16,-3.28,12.57,4.334,3.177
HEM,HADA,4,3.81,4.54,4.108,0.317
HEM,HAM,4,8.987,10.583,9.702,0.673
HEM,HAP61,1,4.31,4.31,4.310,
HEM,HAP62,1,3.85,3.85,3.850,
HEM,HAP71,1,4.39,4.39,4.390,
HEM,HAP72,1,4.49,4.49,4.490,
HEM,HB2,4,1.452,3.718,2.486,0.934
HEM,HB3,3,1.223,3.124,2.015,0.990
HEM,HB62,3,2.474,3.119,2.814,0.324
HEM,HB63,3,2.977,3.723,3.255,0.408
HEM,HB72,3,2.809,3.242,3.054,0.222
HEM,HB73,2,2.922,3.474,3.198,0.390
HEM,HBA,4,3.19,4.04,3.515,0.366
HEM,HBA1,15,-0.78,3.670,2.131,1.378
HEM,HBA2,13,-1.22,3.664,1.842,1.720
HEM,HBAA,4,2.71,3.27,3.010,0.250
HEM,HBB,11,-4.54,5.380,0.812,2.662
HEM,HBB1,10,-5.31,5.799,1.356,3.801
HEM,HBB2,9,-5.8,5.595,1.649,4.042
HEM,HBB3,1,1.908,1.908,1.908,
HEM,HBBA,2,-5.15,5.080,-0.035,7.234
HEM,HBC,11,-1.67,6.030,2.138,1.986
HEM,HBC1,10,-1.67,5.990,2.960,2.411
HEM,HBC2,9,-1.96,6.142,2.818,2.623
HEM,HBC3,1,2.446,2.446,2.446,
HEM,HBCA,2,-2.14,5.920,1.890,5.699
HEM,HBD,4,2.92,3.51,3.238,0.279
HEM,HBD1,10,1.26,3.394,2.737,0.586
HEM,HBD2,11,0.84,3.830,3.021,0.840
HEM,HBDA,4,2.92,3.85,3.288,0.442
HEM,HBM,4,8.879,9.737,9.327,0.352
HEM,HBP63,1,3.07,3.07,3.070,
HEM,HBP64,1,2.82,2.82,2.820,
HEM,HBP73,1,3.17,3.17,3.170,
HEM,HBP74,1,2.94,2.94,2.940,
HEM,HDM,4,8.99,9.927,9.432,0.385
HEM,HGM,4,9.235,9.58,9.425,0.144
HEM,HHA,19,9.17,9.90,9.444,0.185
HEM,HHA1,1,9.277,9.277,9.277,
HEM,HHB,22,-6.06,10.208,7.564,5.087
HEM,HHB1,1,9.178,9.178,9.178,
HEM,HHC,20,1.61,10.530,9.030,1.800
HEM,HHC1,1,9.776,9.776,9.776,
HEM,HHD,19,0.09,9.86,8.857,2.182
HEM,HHD1,1,9.311,9.311,9.311,
HEM,HMA,12,2.10,35.30,8.862,11.968
HEM,HMA1,12,3.305,35.74,11.872,11.247
HEM,HMA2,7,3.305,9.7,4.880,2.491
HEM,HMA3,7,3.305,9.7,4.880,2.491
HEM,HMB,12,2.59,15.07,5.694,4.266
HEM,HMB1,9,3.523,16.52,8.736,5.269
HEM,HMB2,6,3.523,16.52,7.475,5.806
HEM,HMB3,6,3.523,16.52,7.475,5.806
HEM,HMC,12,3.00,34.10,9.097,11.543
HEM,HMC1,12,2.978,32.44,9.204,8.468
HEM,HMC2,7,2.978,14.39,5.627,4.159
HEM,HMC3,7,2.978,14.39,5.627,4.159
HEM,HMD,12,2.97,21.27,6.820,6.325
HEM,HMD1,12,2.507,24.27,10.865,8.791
HEM,HMD2,7,2.507,24.27,8.056,8.608
HEM,HMD3,7,2.507,24.27,8.056,8.608
HEM,HT2A,4,5.83,7.292,6.312,0.664
HEM,HT4A,4,6.063,6.518,6.267,0.188
HEM,QM1,1,3.30,3.30,3.300,
HEM,QM3,1,3.77,3.77,3.770,
HEM,QM5,1,3.30,3.30,3.300,
HEM,QM8,5,2.94,3.612,3.242,0.249
HEM,QT2,1,1.82,1.82,1.820,
HEM,QT4,1,2.19,2.19,2.190,
HEM_ox,1HAA,9,1.4,15.72,5.817,6.481
HEM_ox,1HAD,9,-2.606,23.526,9.459,8.783
HEM_ox,1HBA,9,-2.752,2.884,-0.131,1.826
HEM_ox,1HBB,9,-4.68,0.991,-2.281,1.951
HEM_ox,1HBC,9,-3.619,1.912,-0.640,1.747
HEM_ox,1HBD,9,-0.917,1.590,0.282,0.803
HEM_ox,1HMA,9,-3.249,29.75,15.391,11.405
HEM_ox,1HMB,9,4.635,23.296,15.677,5.303
HEM_ox,1HMC,9,4.255,29.18,11.834,8.283
HEM_ox,1HMD,9,6.596,22.259,18.785,4.961
HEM_ox,2HAA,9,-2.753,19.315,4.887,6.188
HEM_ox,2HAD,9,-3.244,16.176,6.104,6.011
HEM_ox,2HBA,9,-116,4.900,-12.085,39.020
HEM_ox,2HBB,5,-4.39,-0.71,-3.016,1.472
HEM_ox,2HBC,5,0.04,1.78,0.682,0.717
HEM_ox,2HBD,9,-2.03,0.531,-0.947,1.082
HEM_ox,2HMA,5,8.75,29.75,13.096,9.311
HEM_ox,2HMB,5,14.25,16.35,15.464,0.836
HEM_ox,2HMC,5,8.12,29.18,12.580,9.284
HEM_ox,2HMD,5,20.11,22.01,21.132,0.798
HEM_ox,3HBB,1,-0.71,-0.71,-0.710,
HEM_ox,3HBC,1,1.78,1.78,1.780,
HEM_ox,3HMA,5,8.75,29.75,13.096,9.311
HEM_ox,3HMB,5,14.25,16.35,15.464,0.836
HEM_ox,3HMC,5,8.12,29.18,12.580,9.284
HEM_ox,3HMD,5,20.11,22.01,21.132,0.798
HEM_ox,HAB,9,-1.642,14.26,6.315,7.226
HEM_ox,HAC,8,-4.154,7.3,2.926,4.256
HEM_ox,HHA,9,-0.098,11.572,4.792,4.134
HEM_ox,HHB,8,-3.323,7.716,1.471,3.083
HEM_ox,HHC,9,-0.815,12.820,4.232,4.926
HEM_ox,HHD,9,-8.073,10.613,1.373,5.434
HEM_red,HA62,4,2.992,4.158,3.657,0.541
HEM_red,HA63,4,4.399,4.747,4.541,0.152
HEM_red,HA72,4,2.711,4.404,3.834,0.776
HEM_red,HA73,4,3.710,4.091,3.902,0.184
HEM_red,HAM,4,8.987,9.777,9.326,0.359
HEM_red,HB62,3,3.268,3.309,3.291,0.021
HEM_red,HB63,4,1.047,4.190,3.087,1.455
HEM_red,HB72,3,2.375,3.338,3.005,0.546
HEM_red,HB73,3,2.933,3.146,3.034,0.107
HEM_red,HBM,4,8.620,9.544,9.068,0.466
HEM_red,HDM,4,7.329,9.505,8.462,1.093
HEM_red,HGM,4,9.436,9.731,9.635,0.135
HEM_red,HT2A,4,5.694,6.523,5.995,0.372
HEM_red,HT4A,4,5.199,6.464,5.939,0.582
HEM_red,QM1,4,1.807,3.606,2.914,0.859
HEM_red,QM3,4,2.798,3.986,3.394,0.531
HEM_red,QM5,4,3.401,3.548,3.465,0.062
HEM_red,QM8,4,1.130,3.254,2.346,1.042
HEM_red,QT2,4,1.852,2.692,2.313,0.405
HEM_red,QT4,4,-1.030,2.480,0.968,1.787
HHK,H,1,7.911,7.911,7.911,
HHK,HA,1,4.269,4.269,4.269,
HHK,HB2,1,1.454,1.454,1.454,
HHK,HD1,1,1.342,1.342,1.342,
HHK,HE1,1,2.994,2.994,2.994,
HHK,HG2,1,1.191,1.191,1.191,
HHK,HH1,1,7.611,7.611,7.611,
HHK,HT1,1,3.032,3.032,3.032,
HHK,HZ1,1,1.161,1.161,1.161,
HIA,H,1,8.41,8.41,8.410,
HIA,HA,1,4.56,4.56,4.560,
HIA,HB2,1,3.25,3.25,3.250,
HIA,HB3,1,3.15,3.15,3.150,
HIA,HD2,1,8.64,8.64,8.640,
HIA,HE1,1,7.37,7.37,7.370,
HNE,H1,3,5.540,5.739,5.616,0.108
HNE,H2,2,1.416,2.130,1.773,0.505
HNE,H3,3,2.284,3.474,2.780,0.619
HNE,H4,3,2.888,4.323,3.608,0.718
HNE,H5C1,2,0.947,1.297,1.122,0.247
HNE,H5C2,2,1.164,1.637,1.401,0.334
HNE,H6C1,2,1.212,1.477,1.345,0.187
HNE,H6C2,2,1.212,1.477,1.345,0.187
HNE,H7C1,2,1.046,1.414,1.230,0.260
HNE,H7C2,2,1.046,1.414,1.230,0.260
HNE,H8C1,1,1.443,1.443,1.443,
HNE,H8C2,1,1.443,1.443,1.443,
HNE,H9C1,1,1.001,1.001,1.001,
HNE,H9C2,1,1.001,1.001,1.001,
HNE,H9C3,1,1.001,1.001,1.001,
HOP,C,1,179.193,179.193,179.193,
HOP,CA,1,69.006,69.006,69.006,
HOP,CB,1,21.217,21.217,21.217,
HOP,HA,1,4.257,4.257,4.257,
HOP,HB1,1,1.327,1.327,1.327,
HP6,H201,2,3.47,3.55,3.510,0.057
HP6,H202,2,3.62,3.88,3.750,0.184
HP6,H211,2,1.18,1.23,1.205,0.035
HP6,H212,2,1.18,1.42,1.300,0.170
HP6,H221,2,0.86,1.09,0.975,0.163
HP6,H222,2,0.86,1.09,0.975,0.163
HP6,H231,2,0.95,1.01,0.980,0.042
HP6,H232,2,0.95,1.01,0.980,0.042
HSL,CB,1,30.146,30.146,30.146,
HSL,H,2,8.219,8.722,8.471,0.356
HSL,HA,2,4.440,4.532,4.486,0.065
HSL,HB1,1,4.227,4.227,4.227,
HSL,HB2,2,2.390,4.227,3.309,1.299
HSL,HB3,1,2.571,2.571,2.571,
HSL,HG2,2,2.460,3.841,3.151,0.977
HSL,HG3,2,2.207,3.841,3.024,1.155
HSL,N,1,112.928,112.928,112.928,
HTS,H3,1,7.514,7.514,7.514,
HTS,H4,1,6.817,6.817,6.817,
HTS,H5,1,7.162,7.162,7.162,
HTS,H6,1,6.937,6.937,6.937,
HYP,C,6,173.610,177.173,175.679,1.548
HYP,C2,1,63.289,63.289,63.289,
HYP,C4,1,39.151,39.151,39.151,
HYP,CA,21,58.72,72.5243,62.925,3.431
HYP,CB,19,36.150,41.92,39.098,1.396
HYP,CD,15,50.5803,59.88,57.393,2.135
HYP,CG,16,27.4035,72.75,63.832,17.268
HYP,HA,41,4.410,5.18,4.609,0.147
HYP,HB,5,1.278,2.3700,2.134,0.479
HYP,HB2,39,1.07,2.60,2.053,0.286
HYP,HB3,36,1.781,2.546,2.259,0.164
HYP,HBA,1,2.3424,2.3424,2.342,
HYP,HD,3,3.6429,3.8612,3.721,0.121
HYP,HD1,3,3.752,5.65,4.997,1.079
HYP,HD2,11,3.541,4.360,3.780,0.218
HYP,HD22,25,3.36,3.95,3.728,0.139
HYP,HD23,25,3.27,4.193,3.806,0.178
HYP,HD3,10,3.583,3.948,3.832,0.107
HYP,HDA,4,3.7563,3.8667,3.816,0.052
HYP,HG,32,1.957,5.18,4.112,0.969
HYP,HG2,3,1.756,2.403,2.148,0.345
HYP,HG3,3,1.752,2.286,2.003,0.268
HYP,HN,1,4.549,4.549,4.549,
HYP,HOD1,3,2.0158,2.0681,2.033,0.030
HYPR,HA,1,5.244,5.244,5.244,
HYPR,HB2,1,1.869,1.869,1.869,
HYPR,HB3,1,2.355,2.355,2.355,
HYPR,HD2,1,3.673,3.673,3.673,
HYPR,HD3,1,3.673,3.673,3.673,
HYPR,HG,1,4.727,4.727,4.727,
I4G,CA,3,53.213,53.969,53.565,0.381
I4G,CB,3,57.647,59.297,58.589,0.849
I4G,CD1,2,22.141,22.448,22.295,0.217
I4G,CD2,2,21.958,24.448,23.203,1.761
I4G,CG,1,30.152,30.152,30.152,
I4G,HA2,3,4.039,4.338,4.213,0.155
I4G,HA3,3,3.958,4.256,4.135,0.157
I4G,HB,1,3.262,3.262,3.262,
I4G,HB2,2,3.272,3.421,3.347,0.105
I4G,HB3,2,3.054,3.358,3.206,0.215
I4G,HD,2,0.845,0.898,0.872,0.037
I4G,HD1,1,0.953,0.953,0.953,
I4G,HD2,1,0.896,0.896,0.896,
I4G,HG,3,1.899,1.981,1.947,0.043
IAM,1HK1,1,1.133,1.133,1.133,
IAM,1HT,1,4.012,4.012,4.012,
IAM,H,6,8.428,8.783,8.625,0.135
IAM,HA,6,4.391,4.576,4.467,0.079
IAM,HB2,6,2.623,3.138,3.002,0.189
IAM,HB3,6,2.660,3.060,2.794,0.147
IAM,HD1,6,7.248,7.343,7.293,0.041
IAM,HE1,6,7.301,7.329,7.316,0.011
IAM,HH,3,8.545,8.600,8.567,0.029
IAM,HI,6,3.124,3.163,3.140,0.015
IAM,HK,5,1.112,1.156,1.136,0.016
IAM,HT,5,3.996,4.032,4.020,0.015
IGU,H1,1,11.29,11.29,11.290,
IGU,H1',1,5.00,5.00,5.000,
IGU,H2',1,2.74,2.74,2.740,
IGU,H2'',1,2.61,2.61,2.610,
IGU,H3',1,4.96,4.96,4.960,
IGU,H4',1,4.25,4.25,4.250,
IGU,H5',1,3.96,3.96,3.960,
IGU,H5'',1,4.10,4.10,4.100,
IGU,H8,1,8.06,8.06,8.060,
IGU,HN61,1,7.35,7.35,7.350,
IGU,HN62,1,7.35,7.35,7.350,
IIL,H,1,8.39,8.39,8.390,
IIL,HA,2,3.83,3.90,3.865,0.049
IIL,HB,2,1.47,1.98,1.725,0.361
IIL,HD1,2,0.50,0.51,0.505,0.007
IIL,HG12,2,1.02,1.50,1.260,0.339
IIL,HG13,2,1.02,1.03,1.025,0.007
IIL,HG2,2,0.64,0.68,0.660,0.028
ILE_NH2,H,1,8.821,8.821,8.821,
ILE_NH2,HA,1,4.143,4.143,4.143,
ILE_NH2,HB,1,1.575,1.575,1.575,
ILE_NH2,HD11,1,0.79,0.79,0.790,
ILE_NH2,HD12,1,0.79,0.79,0.790,
ILE_NH2,HD13,1,0.79,0.79,0.790,
ILE_NH2,HG12,1,1.439,1.439,1.439,
ILE_NH2,HG13,1,1.439,1.439,1.439,
ILE_NH2,HG21,1,0.955,0.955,0.955,
ILE_NH2,HG22,1,0.955,0.955,0.955,
ILE_NH2,HG23,1,0.955,0.955,0.955,
ILE_NH2,HT1,1,7.152,7.152,7.152,
ILE_NH2,HT2,1,7.733,7.733,7.733,
IMD,HD1,1,10.596,10.596,10.596,
INO,H1',1,6.358,6.358,6.358,
INO,H2,1,8.024,8.024,8.024,
INO,H2',1,2.811,2.811,2.811,
INO,H2'',1,2.766,2.766,2.766,
INO,H3',1,4.733,4.733,4.733,
INO,H4',1,4.234,4.234,4.234,
INO,H5',1,4.359,4.359,4.359,
INO,H5'',1,3.888,3.888,3.888,
INO,H8,1,8.492,8.492,8.492,
IOR,H,1,7.288,7.288,7.288,
IOR,H3,1,3.950,3.950,3.950,
IOR,H61,1,1.154,1.154,1.154,
IOR,H62,1,1.154,1.154,1.154,
IOR,H63,1,1.154,1.154,1.154,
IOR,HA,1,3.619,3.619,3.619,
IOR,HB2,1,1.657,1.657,1.657,
IOR,HB3,1,1.657,1.657,1.657,
IOR,HD2,1,3.230,3.230,3.230,
IOR,HG2,1,1.506,1.506,1.506,
IQG,H1',1,5.864,5.864,5.864,
IQG,H2',1,2.543,2.543,2.543,
IQG,H2'',1,2.506,2.506,2.506,
IQG,H3',1,4.826,4.826,4.826,
IQG,H4',1,4.139,4.139,4.139,
IQG,H4a,1,8.375,8.375,8.375,
IQG,H4A,1,8.374,8.374,8.374,
IQG,H5',1,3.888,3.888,3.888,
IQG,H5'',1,3.807,3.807,3.807,
IQG,H7a,1,7.365,7.365,7.365,
IQG,H8,1,7.910,7.910,7.910,
IQG,H8a,1,6.303,6.303,6.303,
IQG,H9a,1,7.482,7.482,7.482,
IQG,M15,1,3.357,3.357,3.357,
IYR,H,2,8.118,8.128,8.123,0.007
IYR,HA,2,4.514,4.531,4.523,0.012
IYR,HB2,2,2.948,2.956,2.952,0.006
IYR,HB3,2,2.703,2.717,2.710,0.010
IYR,HD1,2,7.054,7.560,7.307,0.358
IYR,HD2,2,7.055,7.446,7.251,0.276
IYR,HE1,2,6.736,6.744,6.740,0.006
IYR,HH,1,10.062,10.062,10.062,
JDT,H1',1,5.858,5.858,5.858,
JDT,H2',1,2.397,2.397,2.397,
JDT,H2'',1,2.527,2.527,2.527,
JDT,H3,1,13.317,13.317,13.317,
JDT,H3',1,4.733,4.733,4.733,
JDT,H6,1,7.124,7.124,7.124,
JDT,H71,1,1.901,1.901,1.901,
JDT,H72,1,1.973,1.973,1.973,
JDT,H72A,1,1.481,1.481,1.481,
JDT,H72C,1,2.401,2.401,2.401,
JH3,H2,1,6.104,6.104,6.104,
JH3,H3',1,1.184,1.184,1.184,
JH3,H3'A,1,1.184,1.184,1.184,
JH3,H3'B,1,1.184,1.184,1.184,
JH3,H4,1,1.968,1.968,1.968,
JH3,H4A,1,1.968,1.968,1.968,
JH3,H5,1,1.424,1.424,1.424,
JH3,H5A,1,1.424,1.424,1.424,
JH3,H6,1,4.743,4.743,4.743,
JH3,H7',1,1.150,1.150,1.150,
JH3,H7'A,1,1.150,1.150,1.150,
JH3,H7'B,1,1.150,1.150,1.150,
JH3,H8,1,1.955,1.955,1.955,
JH3,H8A,1,1.435,1.435,1.435,
JH3,H9,1,1.097,1.097,1.097,
JH3,H9A,1,1.097,1.097,1.097,
JH3,HA,1,2.655,2.655,2.655,
JH3,HB',1,-0.101,-0.101,-0.101,
JH3,HB'A,1,-0.101,-0.101,-0.101,
JH3,HB'B,1,-0.101,-0.101,-0.101,
JH3,HC,1,-0.101,-0.101,-0.101,
JH3,HCA,1,-0.101,-0.101,-0.101,
JH3,HCB,1,-0.101,-0.101,-0.101,
JH3,HM,1,3.468,3.468,3.468,
JH3,HMA,1,3.468,3.468,3.468,
JH3,HMB,1,3.468,3.468,3.468,
JZF,H11,1,2.135,2.135,2.135,
JZF,H117,1,0.970,0.970,0.970,
JZF,H118,1,0.621,0.621,0.621,
JZF,H119,1,0.807,0.807,0.807,
JZF,H121,1,1.463,1.463,1.463,
JZF,H122,1,1.407,1.407,1.407,
JZF,H13,1,2.082,2.082,2.082,
JZF,H141,1,2.208,2.208,2.208,
JZF,H142,1,1.651,1.651,1.651,
JZF,H151,1,5.098,5.098,5.098,
JZF,H152,1,3.961,3.961,3.961,
JZF,H161,1,4.077,4.077,4.077,
JZF,H162,1,4.017,4.017,4.017,
JZF,H217,1,0.970,0.970,0.970,
JZF,H218,1,0.621,0.621,0.621,
JZF,H219,1,0.807,0.807,0.807,
JZF,H31,1,2.353,2.353,2.353,
JZF,H317,1,0.970,0.970,0.970,
JZF,H318,1,0.621,0.621,0.621,
JZF,H319,1,0.807,0.807,0.807,
JZF,H32,1,2.353,2.353,2.353,
JZF,H4,1,1.208,1.208,1.208,
JZF,H51,1,2.381,2.381,2.381,
JZF,H52,1,2.381,2.381,2.381,
JZF,H71,1,1.482,1.482,1.482,
JZF,H72,1,0.998,0.998,0.998,
JZF,H8,1,3.604,3.604,3.604,
JZF,H9,1,2.539,2.539,2.539,
KCX,C,2,175.1,176.9,176.000,1.273
KCX,CA,2,57.5,58.7,58.100,0.849
KCX,CB,2,32.8,32.9,32.850,0.071
KCX,CD,2,32.07,33.4,32.735,0.940
KCX,CE,2,56.91,57.34,57.125,0.304
KCX,CG,2,23.8,26.1,24.950,1.626
KCX,H,2,7.86,8.28,8.070,0.297
KCX,HA,2,3.10,3.74,3.420,0.453
KCX,HB2,2,1.40,1.93,1.665,0.375
KCX,HB3,2,1.17,1.84,1.505,0.474
KCX,HD2,2,1.39,1.83,1.610,0.311
KCX,HD3,2,0.74,1.79,1.265,0.742
KCX,HE,2,3.98,4.23,4.105,0.177
KCX,HG2,1,1.47,1.47,1.470,
KCX,HG3,1,1.47,1.47,1.470,
KCX,HZ,2,7.51,8.28,7.895,0.544
KCX,N,2,126.6,128.5,127.550,1.344
KCX,NZ,2,108.1,117.4,112.750,6.576
KOB,H1,1,7.102,7.102,7.102,
KOB,H2,1,7.542,7.542,7.542,
KOB,H3,1,7.327,7.327,7.327,
KOB,H4,1,7.982,7.982,7.982,
KOB,H5,1,8.919,8.919,8.919,
KYN,H,3,8.44,8.520,8.470,0.044
KYN,HA,3,4.75,4.87,4.823,0.064
KYN,HB2,3,3.258,3.45,3.386,0.111
KYN,HB3,3,3.13,3.535,3.342,0.203
KYN,HE1,2,7.38,7.62,7.500,0.170
KYN,HE3,1,6.56,6.56,6.560,
KYN,HH,1,7.357,7.357,7.357,
KYN,HI,1,7.412,7.412,7.412,
KYN,HT,1,6.683,6.683,6.683,
KYN,HZ,1,6.793,6.793,6.793,
L2H,HB1,1,2.860,2.860,2.860,
L2H,HB1',1,2.832,2.832,2.832,
L2H,HB2,1,2.860,2.860,2.860,
L2H,HB2',1,2.832,2.832,2.832,
L2H,HC1,1,1.541,1.541,1.541,
L2H,HC1',1,1.631,1.631,1.631,
L2H,HC2,1,1.608,1.608,1.608,
L2H,HC2',1,1.631,1.631,1.631,
L2H,HD1,1,0.934,0.934,0.934,
L2H,HD1',1,0.965,0.965,0.965,
L2H,HD2,1,1.343,1.343,1.343,
L2H,HD2',1,1.366,1.366,1.366,
L2H,HE1,1,1.843,1.843,1.843,
L2H,HE1',1,1.920,1.920,1.920,
L2H,HE2,1,2.122,2.122,2.122,
L2H,HE2',1,1.966,1.966,1.966,
L2H,HF,1,4.845,4.845,4.845,
L2H,HF',1,4.293,4.293,4.293,
L2H,HG,1,7.721,7.721,7.721,
L2H,HH,1,7.506,7.506,7.506,
L2H,HI,1,8.052,8.052,8.052,
L2H,HJ,1,8.484,8.484,8.484,
L2H,HK,1,7.795,7.795,7.795,
L2H,HL,1,7.845,7.845,7.845,
L2H,HM1,1,2.305,2.305,2.305,
L2H,HM2,1,2.305,2.305,2.305,
L2H,HM3,1,2.305,2.305,2.305,
L2H,HN1,1,2.400,2.400,2.400,
L2H,HN2,1,2.400,2.400,2.400,
L2H,HN3,1,2.400,2.400,2.400,
L8P,C1',1,52.9930,52.9930,52.993,
L8P,C2',1,80.8600,80.8600,80.860,
L8P,C3',1,66.7380,66.7380,66.738,
L8P,C4',1,66.4220,66.4220,66.422,
L8P,H1',1,3.2426,3.2426,3.243,
L8P,H1'A,1,3.8593,3.8593,3.859,
L8P,H2',1,3.7438,3.7438,3.744,
L8P,H3',1,3.8540,3.8540,3.854,
L8P,H3'A,1,4.2057,4.2057,4.206,
L8P,H4',1,3.6223,3.6223,3.622,
L8P,H4'A,1,3.8577,3.8577,3.858,
L8P,H5,1,5.3955,5.3955,5.396,
L8P,H6,1,7.4780,7.4780,7.478,
L8P,HN4,1,7.6696,7.6696,7.670,
L8P,HN4A,1,6.2833,6.2833,6.283,
L94,C2,1,131.404,131.404,131.404,
L94,C3,1,131.404,131.404,131.404,
L94,C31,1,42.768,42.768,42.768,
L94,C34,1,42.768,42.768,42.768,
L94,C41,1,25.174,25.174,25.174,
L94,C44,1,25.174,25.174,25.174,
L94,C5,1,131.404,131.404,131.404,
L94,C51,1,57.580,57.580,57.580,
L94,C54,1,57.580,57.580,57.580,
L94,C6,1,131.404,131.404,131.404,
L94,C71,1,45.640,45.640,45.640,
L94,C74,1,45.640,45.640,45.640,
L94,C81,1,45.640,45.640,45.640,
L94,C84,1,45.640,45.640,45.640,
L94,H131,1,3.550,3.550,3.550,
L94,H13A,1,3.550,3.550,3.550,
L94,H141,1,2.172,2.172,2.172,
L94,H14A,1,2.172,2.172,2.172,
L94,H151,1,3.243,3.243,3.243,
L94,H15A,1,3.243,3.243,3.243,
L94,H171,1,2.888,2.888,2.888,
L94,H17A,1,2.888,2.888,2.888,
L94,H17B,1,2.888,2.888,2.888,
L94,H181,1,2.888,2.888,2.888,
L94,H18A,1,2.888,2.888,2.888,
L94,H18B,1,2.888,2.888,2.888,
L94,H2,1,7.831,7.831,7.831,
L94,H3,1,7.831,7.831,7.831,
L94,H434,1,3.550,3.550,3.550,
L94,H43A,1,3.550,3.550,3.550,
L94,H444,1,2.172,2.172,2.172,
L94,H44A,1,2.172,2.172,2.172,
L94,H454,1,3.243,3.243,3.243,
L94,H45A,1,3.243,3.243,3.243,
L94,H474,1,2.888,2.888,2.888,
L94,H47A,1,2.888,2.888,2.888,
L94,H47B,1,2.888,2.888,2.888,
L94,H484,1,2.888,2.888,2.888,
L94,H48A,1,2.888,2.888,2.888,
L94,H48B,1,2.888,2.888,2.888,
L94,H5,1,7.831,7.831,7.831,
L94,H6,1,7.831,7.831,7.831,
Lan_DA,H,1,8.42,8.42,8.420,
Lan_DA,HA,1,4.61,4.61,4.610,
Lan_LA,H,1,8.33,8.33,8.330,
Lan_LA,HA,1,4.52,4.52,4.520,
LCG,H1,3,11.242,11.843,11.500,0.309
LCG,H1',4,5.196,6.074,5.700,0.384
LCG,H2',3,4.513,4.998,4.786,0.248
LCG,H21,1,9.569,9.569,9.569,
LCG,H22,1,6.982,6.982,6.982,
LCG,H3',4,4.505,4.832,4.711,0.143
LCG,H5',1,4.462,4.462,4.462,
LCG,H5'',1,4.355,4.355,4.355,
LCG,H6'1,4,3.877,4.424,4.116,0.249
LCG,H6'2,2,3.925,4.420,4.173,0.350
LCG,H8,4,6.890,7.508,7.310,0.284
LEU_NH2,H,1,7.79,7.79,7.790,
LEU_NH2,HA,1,4.00,4.00,4.000,
LEU_NH2,HB2,1,1.82,1.82,1.820,
LEU_NH2,HD1,1,0.88,0.88,0.880,
LEU_NH2,HD2,1,0.88,0.88,0.880,
LEU_NH2,HG,1,1.54,1.54,1.540,
LHO,H1,1,7.17,7.17,7.170,
LHO,H1',1,6,6,6.000,
LHO,H101,1,1.22,1.22,1.220,
LHO,H102,1,1.22,1.22,1.220,
LHO,H103,1,1.22,1.22,1.220,
LHO,H12',1,2.52,2.52,2.520,
LHO,H2,1,6.39,6.39,6.390,
LHO,H22',1,2.18,2.18,2.180,
LHO,H310,1,6.25,6.25,6.250,
LHO,H8,1,7.41,7.41,7.410,
LHO,H9,1,5.2,5.2,5.200,
LME,H,1,8.275,8.275,8.275,
LME,HA,1,4.575,4.575,4.575,
LME,HB,1,2.425,2.425,2.425,
LME,HG1,1,0.931,0.931,0.931,
LME,HG22,1,2.114,2.114,2.114,
LME,HG23,1,2.369,2.369,2.369,
LML,HA,1,3.398,3.398,3.398,
LML,HB2,1,1.851,1.851,1.851,
LML,HB3,1,1.585,1.585,1.585,
LML,HD1,1,0.896,0.896,0.896,
LML,HD2,1,0.896,0.896,0.896,
LML,HG,1,1.444,1.444,1.444,
LPD,HA,1,4.39,4.39,4.390,
LPD,HB2,1,1.95,1.95,1.950,
LPD,HB3,1,2.27,2.27,2.270,
LPD,HD2,2,3.52,3.80,3.660,0.198
LPD,HD3,2,3.57,3.70,3.635,0.092
LPD,HG2,2,1.97,1.97,1.970,0.000
LPD,HG3,2,1.97,1.98,1.975,0.007
LTR,HE1,1,10.333,10.333,10.333,
LTR,NE1,1,130.017,130.017,130.017,
LWM,H1',3,3.834,3.911,3.860,0.044
LWM,H2',3,1.702,1.722,1.715,0.012
LWM,H2'',3,1.889,1.896,1.894,0.004
LWM,H3,3,4.401,4.405,4.404,0.002
LWM,H4',3,2.163,2.167,2.166,0.002
LWM,H6',3,0.960,0.965,0.962,0.003
LWM,H6'',3,1.980,2.066,2.037,0.050
LWM,HN9,3,7.211,7.917,7.446,0.408
LYR,C,2,177.081,177.179,177.130,0.069
LYR,CA,2,58.555,58.884,58.720,0.233
LYR,CB,2,34.757,34.879,34.818,0.086
LYR,H,2,7.714,8.335,8.025,0.439
LYR,HA,1,4.815,4.815,4.815,
LYR,N,2,113.027,113.491,113.259,0.328
LYS_NH2,C,1,180,180,180.000,
LYS_NH2,CA,1,53,53,53.000,
LYS_NH2,CB,1,36,36,36.000,
LYS_NH2,CD,1,28,28,28.000,
LYS_NH2,CE,1,42,42,42.000,
LYS_NH2,CG,1,26,26,26.000,
LYS_NH2,H,1,8.118,8.118,8.118,
LYS_NH2,HA,1,4.234,4.234,4.234,
LYS_NH2,HB2,1,1.861,1.861,1.861,
LYS_NH2,HB3,1,1.772,1.772,1.772,
LYS_NH2,HD2,1,1.671,1.671,1.671,
LYS_NH2,HG2,1,1.457,1.457,1.457,
LYS_NH2,NZ,1,30,30,30.000,
M2L,CA,1,55.771,55.771,55.771,
M2L,CB,1,35.170,35.170,35.170,
M2L,CM1,1,46.770,46.770,46.770,
M2L,CM2,1,46.770,46.770,46.770,
M2L,HA,1,4.534,4.534,4.534,
M2L,HB,1,2.852,2.852,2.852,
M2L,HBA,1,2.987,2.987,2.987,
M2L,HE,1,3.166,3.166,3.166,
M2L,HEA,1,2.980,2.980,2.980,
M2L,HM1,1,2.411,2.411,2.411,
M2L,HM1A,1,2.411,2.411,2.411,
M2L,HM1B,1,2.411,2.411,2.411,
M2L,HM2,1,2.411,2.411,2.411,
M2L,HM2A,1,2.411,2.411,2.411,
M2L,HM2B,1,2.411,2.411,2.411,
M3L,H,6,7.807,9.808,8.596,0.701
M3L,HA,12,4.150,4.756,4.455,0.230
M3L,HB2,9,0.524,2.15,1.616,0.459
M3L,HB3,10,0.947,1.92,1.626,0.300
M3L,HD1,1,1.475,1.475,1.475,
M3L,HD2,10,-0.010,1.649,1.146,0.640
M3L,HD3,9,0.583,1.81,1.263,0.458
M3L,HE1,1,3.069,3.069,3.069,
M3L,HE2,11,0.795,3.55,2.651,0.870
M3L,HE3,8,0.864,3.47,2.596,0.997
M3L,HG1,1,0.108,0.108,0.108,
M3L,HG2,9,0.108,1.603,1.057,0.567
M3L,HG3,7,0.533,1.603,1.260,0.382
M3L,HM11,11,1.338,3.44,2.620,0.754
M3L,HM12,11,1.338,3.44,2.617,0.757
M3L,HM13,10,1.338,3.44,2.732,0.689
M3L,HM21,8,1.291,3.44,2.440,0.924
M3L,HM22,8,1.291,3.44,2.438,0.925
M3L,HM23,7,1.291,3.44,2.573,0.911
M3L,HM31,7,1.338,3.44,2.604,0.862
M3L,HM32,6,1.338,3.44,2.787,0.782
M3L,HM33,6,1.338,3.44,2.787,0.782
M9P,HA,2,4.162,4.162,4.162,0.000
M9P,HB,2,1.543,1.543,1.543,0.000
M9P,HBA,2,1.543,1.543,1.543,0.000
M9P,HD,2,3.117,3.117,3.117,0.000
M9P,HDA,2,3.117,3.117,3.117,0.000
M9P,HG,2,1.682,1.682,1.682,0.000
M9P,HGA,2,1.823,1.823,1.823,0.000
M9P,HNA,2,8.008,8.008,8.008,0.000
M9P,HNE,2,7.144,7.144,7.144,0.000
MA,H1',5,5.982,6.187,6.071,0.077
MA,H2,5,7.104,7.902,7.406,0.305
MA,H2',1,4.791,4.791,4.791,
MA,H8,5,7.663,8.697,7.984,0.434
MA,HM'1,5,3.728,3.803,3.759,0.029
MA,HM'2,5,3.728,3.803,3.759,0.029
MA,HM'3,5,3.728,3.803,3.759,0.029
MAG,H1,1,4.686,4.686,4.686,
MAG,H2,1,3.719,3.719,3.719,
MAG,H3,1,3.921,3.921,3.921,
MAG,H4,1,3.861,3.861,3.861,
MAG,H5,1,3.540,3.540,3.540,
MAG,H61,1,3.916,3.916,3.916,
MAG,H62,1,3.709,3.709,3.709,
MAG,H81,1,1.759,1.759,1.759,
MAG,H82,1,1.759,1.759,1.759,
MAG,H83,1,1.759,1.759,1.759,
MAG,HN2,1,8.539,8.539,8.539,
MAH,H61,1,1.295,1.295,1.295,
MAH,H62,1,1.295,1.295,1.295,
MAH,H63,1,1.295,1.295,1.295,
MC,H1',4,5.553,5.777,5.666,0.102
MC,H5,4,5.243,5.692,5.406,0.213
MC,H6,4,7.592,7.949,7.704,0.165
MC,HM'1,4,3.579,3.671,3.622,0.041
MC,HM'2,4,3.579,3.671,3.622,0.041
MC,HM'3,4,3.579,3.671,3.622,0.041
MEA,H,2,2.25,3.08,2.665,0.587
MEA,HA,2,4.95,5.22,5.085,0.191
MEA,HB2,2,3.04,3.15,3.095,0.078
MEA,HB3,2,3.22,3.36,3.290,0.099
MEA,HD1,2,7.22,7.25,7.235,0.021
MEA,HE1,2,7.31,7.36,7.335,0.035
MEG,H,2,8.03,8.33,8.180,0.212
MEG,HA,2,4.50,4.51,4.505,0.007
MEG,HB2,2,2.43,2.44,2.435,0.007
MEG,HB3,1,2.43,2.43,2.430,
MEG,HG11,1,2.34,2.34,2.340,
MEG,HG12,2,2.33,2.34,2.335,0.007
MEG,HG13,2,2.05,2.34,2.195,0.205
MEG,HG2,1,0.88,0.88,0.880,
MEG,HG22,1,0.93,0.93,0.930,
MEG,HG23,1,0.93,0.93,0.930,
MEK,H,1,8.26,8.26,8.260,
MEK,HA,1,4.42,4.42,4.420,
MEK,HB2,1,1.94,1.94,1.940,
MEK,HB3,1,1.86,1.86,1.860,
MEK,HD1,1,2.77,2.77,2.770,
MEK,HD2,1,3.05,3.05,3.050,
MEK,HM1,1,1.78,1.78,1.780,
MeLanDAb,H,4,8.63,9.32,9.000,0.283
MeLanDAb,HA,4,4.62,5.16,4.920,0.267
MeLanDAb,HB,4,3.55,3.67,3.605,0.052
MeLanDAb,HG,4,1.32,1.47,1.380,0.064
MeLan_LA,H,4,7.74,8.04,7.900,0.123
MeLan_LA,HA,4,3.86,4.51,4.213,0.313
MethylSER,H,1,3.08,3.08,3.080,
MethylSER,HA,1,4.91,4.91,4.910,
MethylSER,HB2,1,3.95,3.95,3.950,
MethylSER,HB3,1,4.03,4.03,4.030,
MG,H1,2,11.456,12.485,11.971,0.728
MG,H1',2,6.007,6.033,6.020,0.018
MG,H8,2,7.362,7.638,7.500,0.195
MG,HM'1,2,3.808,3.832,3.820,0.017
MG,HM'2,2,3.808,3.832,3.820,0.017
MG,HM'3,2,3.808,3.832,3.820,0.017
MGF,FA,1,-149.0,-149.0,-149.000,
MGF,FB,1,-153.5,-153.5,-153.500,
MGF,FC,1,-172.1,-172.1,-172.100,
MGY,H,1,3.04,3.04,3.040,
MGY,HA3,1,4.10,4.10,4.100,
MH6,C,3,171.0,171.2,171.100,0.100
MH6,CA,3,164.6,164.7,164.667,0.058
MH6,CB,3,27.4,27.5,27.467,0.058
MH6,HB2,3,2.93,2.95,2.940,0.010
MH6,HB3,3,3.46,3.49,3.477,0.015
MH7,HB,1,7.669,7.669,7.669,
MK8,H,4,7.410,8.764,8.152,0.577
MK8,HB,10,1.382,2.08383,1.684,0.217
MK8,HB1,8,1.34892,1.45701,1.410,0.039
MK8,HB1A,6,1.34892,1.45701,1.418,0.038
MK8,HB1B,6,1.34892,1.45701,1.418,0.038
MK8,HB2,2,2.044,2.159,2.102,0.081
MK8,HB3,2,1.671,2.159,1.915,0.345
MK8,HBA,7,1.394,2.08352,1.916,0.238
MK8,HD,8,1.616,2.006,1.734,0.125
MK8,HD2,2,1.550,1.631,1.591,0.057
MK8,HD3,2,1.550,1.631,1.591,0.057
MK8,HDA,8,1.589,2.245,1.986,0.187
MK8,HE,10,5.126,5.486,5.381,0.103
MK8,HG,7,1.003,1.37523,1.166,0.141
MK8,HG2,2,0.910,1.336,1.123,0.301
MK8,HG3,2,0.910,1.336,1.123,0.301
MK8,HGA,7,1.169,1.67301,1.501,0.181
MK8,HN,6,8.24615,8.52990,8.326,0.104
MLE,HA,1,5.400,5.400,5.400,
MLE,HB2,1,1.230,1.230,1.230,
MLE,HB3,1,1.890,1.890,1.890,
MLE,HD11,1,0.760,0.760,0.760,
MLE,HD12,1,0.760,0.760,0.760,
MLE,HD13,1,0.760,0.760,0.760,
MLE,HD21,1,0.760,0.760,0.760,
MLE,HD22,1,0.760,0.760,0.760,
MLE,HD23,1,0.760,0.760,0.760,
MLE,HG,1,1.310,1.310,1.310,
MLE,HN1,1,3.130,3.130,3.130,
MLE,HN2,1,3.130,3.130,3.130,
MLE,HN3,1,3.130,3.130,3.130,
MLN_2,CA,4,59.984,61.971,60.816,0.855
MLN_2,CB,4,46.419,50.304,48.542,1.754
MLN_2,H,4,7.865,10.209,8.789,1.006
MLN_2,HA,4,4.326,4.788,4.597,0.202
MLN_2,HB,4,3.300,3.408,3.347,0.045
MLN_2,HG21,4,1.031,1.247,1.144,0.089
MLN_2,N,4,113.339,115.216,113.897,0.886
MLY,C,2,45.287,45.356,45.322,0.049
MLY,CA,3,52.972,56.23,55.091,1.837
MLY,CB,4,32.301,35.199,33.372,1.261
MLY,CD,2,26.180,28.939,27.560,1.951
MLY,CE,3,43.159,59.928,53.964,9.374
MLY,CG,2,24.673,24.803,24.738,0.092
MLY,CH1,2,45.246,45.478,45.362,0.164
MLY,CH2,1,45.478,45.478,45.478,
MLY,H,3,2.807,8.243,4.619,3.138
MLY,HA,3,4.222,4.565,4.390,0.172
MLY,HB2,4,1.725,3.025,2.348,0.692
MLY,HB3,4,1.725,2.929,2.287,0.625
MLY,HD2,2,1.59,1.717,1.654,0.090
MLY,HD3,2,1.59,1.717,1.654,0.090
MLY,HE2,3,3.075,3.422,3.224,0.179
MLY,HE3,3,3.075,3.422,3.224,0.179
MLY,HG2,2,1.327,1.383,1.355,0.040
MLY,HG3,2,1.327,1.337,1.332,0.007
MLY,HH11,2,2.813,2.944,2.879,0.093
MLY,HH12,1,2.813,2.813,2.813,
MLY,HH13,1,2.813,2.813,2.813,
MLY,HH21,1,2.944,2.944,2.944,
MLY,HZ,1,7.148,7.148,7.148,
MLZ,H,1,2.25,2.25,2.250,
MLZ,HA,1,4.65,4.65,4.650,
MLZ,HB2,1,1.51,1.51,1.510,
MLZ,HB3,1,1.76,1.76,1.760,
MLZ,HD3,1,1.63,1.63,1.630,
MLZ,HE3,1,2.93,2.93,2.930,
MLZ,HG3,1,1.14,1.14,1.140,
MLZ,HZ1,1,7.58,7.58,7.580,
MLZ,HZ2,1,7.58,7.58,7.580,
MLZ,HZ3,1,7.58,7.58,7.580,
MM7,H1',1,5.05,5.05,5.050,
MM7,H12',1,2.32,2.32,2.320,
MM7,H17,1,6.48,6.48,6.480,
MM7,H22',1,2.6,2.6,2.600,
MM7,H27,1,7.72,7.72,7.720,
MM7,H3,1,5.17,5.17,5.170,
MM7,H3',1,4.85,4.85,4.850,
MM7,H4',1,4.17,4.17,4.170,
MM7,H71,1,0.86,0.86,0.860,
MM7,H72,1,0.86,0.86,0.860,
MM7,H73,1,0.86,0.86,0.860,
MM7,H81,1,3.44,3.44,3.440,
MM7,H82,1,3.44,3.44,3.440,
MM7,H83,1,3.44,3.44,3.440,
MNV,H,1,2.18,2.18,2.180,
MNV,HA,1,3.53,3.53,3.530,
MNV,HB,1,2.12,2.12,2.120,
MNV,HG11,1,0.93,0.93,0.930,
MNV,HG12,1,0.93,0.93,0.930,
MNV,HG13,1,0.93,0.93,0.930,
MNV,HG21,1,1.00,1.00,1.000,
MNV,HG22,1,1.00,1.00,1.000,
MNV,HG23,1,1.00,1.00,1.000,
MOZ,H61,2,1.451,1.532,1.492,0.057
MOZ,H62,2,1.451,1.532,1.492,0.057
MOZ,H63,2,1.451,1.532,1.492,0.057
MSE,C,2,176.571,177.174,176.873,0.426
MSE,CA,2,58.948,61.052,60.000,1.488
MSE,CB,2,33.570,34.365,33.968,0.562
MSE,H,2,8.268,9.022,8.645,0.533
MSE,N,2,117.717,122.865,120.291,3.640
MU,H1',10,5.667,5.889,5.752,0.089
MU,H3,8,12.889,13.804,13.380,0.319
MU,H5,10,5.025,5.754,5.330,0.295
MU,H6,10,7.531,8.078,7.763,0.186
MU,HM'1,10,3.362,3.690,3.607,0.121
MU,HM'2,10,3.362,3.690,3.607,0.121
MU,HM'3,10,3.362,3.690,3.607,0.121
MUB,H1,1,5.221,5.221,5.221,
MUB,H111,1,1.117,1.117,1.117,
MUB,H112,1,1.117,1.117,1.117,
MUB,H113,1,1.117,1.117,1.117,
MUB,H2,1,3.660,3.660,3.660,
MUB,H3,1,3.456,3.456,3.456,
MUB,H4,1,4.054,4.054,4.054,
MUB,H5,1,3.945,3.945,3.945,
MUB,H61,1,3.601,3.601,3.601,
MUB,H62,1,3.377,3.377,3.377,
MUB,H81,1,1.837,1.837,1.837,
MUB,H82,1,1.837,1.837,1.837,
MUB,H83,1,1.837,1.837,1.837,
MYR,C,1,178.1,178.1,178.100,
MYR,C10,7,31.132,32.4,31.485,0.428
MYR,C11,7,31.132,31.432,31.342,0.144
MYR,C12,7,33.265,34.5,33.670,0.412
MYR,C13,7,24.002,25.5,24.387,0.511
MYR,C14,7,15.880,17.1,16.110,0.439
MYR,C2,7,37.150,38.00,37.389,0.286
MYR,C3,7,27.150,27.5,27.314,0.125
MYR,C4,7,31.030,31.7,31.166,0.238
MYR,C5,7,31.132,32.1,31.442,0.323
MYR,C6,7,31.132,32.4,31.485,0.428
MYR,C7,7,31.132,32.8,31.542,0.573
MYR,C8,7,31.132,32.1,31.442,0.323
MYR,C9,7,31.132,32.8,31.542,0.573
MYR,H101,9,0.979,1.35,1.097,0.111
MYR,H102,9,0.979,1.35,1.097,0.111
MYR,H111,9,0.77,1.140,1.033,0.115
MYR,H112,9,0.91,1.140,1.049,0.078
MYR,H121,10,0.94,1.14,1.002,0.054
MYR,H122,9,0.944,1.14,1.005,0.061
MYR,H131,9,0.900,1.28,1.000,0.137
MYR,H132,9,0.900,1.28,1.000,0.137
MYR,H141,10,0.320,0.95,0.618,0.175
MYR,H142,9,0.320,0.95,0.620,0.185
MYR,H143,9,0.320,0.95,0.620,0.185
MYR,H21,9,1.939,2.27,2.140,0.118
MYR,H22,9,1.86,2.27,2.141,0.126
MYR,H31,10,1.0084,1.55,1.397,0.153
MYR,H32,9,1.26,1.53,1.408,0.081
MYR,H41,9,0.979,1.21,1.102,0.068
MYR,H42,9,0.78,1.21,1.072,0.127
MYR,H51,10,0.979,1.16,1.071,0.067
MYR,H52,9,0.979,1.19,1.083,0.075
MYR,H61,9,0.979,1.35,1.097,0.111
MYR,H62,9,0.979,1.35,1.097,0.111
MYR,H71,9,0.979,1.35,1.097,0.111
MYR,H72,9,0.979,1.35,1.097,0.111
MYR,H81,9,0.979,1.140,1.069,0.059
MYR,H82,9,0.979,1.140,1.069,0.059
MYR,H91,9,0.979,1.35,1.097,0.111
MYR,H92,9,0.979,1.35,1.097,0.111
N,H1',1,5.454,5.454,5.454,
N,H2',1,4.347,4.347,4.347,
N,H3',1,4.391,4.391,4.391,
N,H4',1,4.320,4.320,4.320,
N,H5'',1,4.101,4.101,4.101,
N,H6,1,8.704,8.704,8.704,
N,H7,1,9.541,9.541,9.541,
N4S,H1',1,6.09,6.09,6.090,
N4S,H2',1,2.06,2.06,2.060,
N4S,H2'',1,2.52,2.52,2.520,
N4S,H3',1,4.84,4.84,4.840,
N4S,H4',1,4.16,4.16,4.160,
N4S,H41,1,8.47,8.47,8.470,
N4S,H5,1,5.38,5.38,5.380,
N4S,H5',1,4.27,4.27,4.270,
N4S,H5'',1,4.06,4.06,4.060,
N4S,H6,1,7.58,7.58,7.580,
N4S,HA1,1,2.67,2.67,2.670,
N4S,HA2,1,1.99,1.99,1.990,
N4S,HB1,1,1.72,1.72,1.720,
N4S,HB2,1,1.62,1.62,1.620,
N4S,HC1,1,3.10,3.10,3.100,
N4S,HC2,1,2.91,2.91,2.910,
N4S,HE1,1,1.85,1.85,1.850,
N4S,P,1,-1.04,-1.04,-1.040,
NAG,C,7,56.460,176.500,107.906,64.164
NAG,C1,7,81.49,103.742,96.507,9.594
NAG,C1',7,72.700,100.760,92.743,13.692
NAG,C2,6,56.14,67.971,59.243,4.378
NAG,C2',7,56.460,73.970,61.463,8.544
NAG,C3,5,72.94,77.672,75.842,2.109
NAG,C3',7,4.950,74.470,54.607,33.922
NAG,C4,6,72.44,80.17,75.693,2.619
NAG,C4',7,3.890,72.700,53.040,33.576
NAG,C5,8,75.44,80.20,77.989,1.833
NAG,C5',7,3.750,73.970,53.907,34.264
NAG,C6,7,60.69,63.43,61.711,1.064
NAG,C7,1,177.37,177.37,177.370,
NAG,C8,7,22.134,25.830,24.047,1.527
NAG,CC2,2,54.452,55.404,54.928,0.673
NAG,CC3,2,73.788,75.184,74.486,0.987
NAG,CC4,2,69.747,69.939,69.843,0.136
NAG,CH3,1,22.83,22.83,22.830,
NAG,H,2,8.36,8.41,8.385,0.035
NAG,H1,13,4.279,5.07,4.616,0.215
NAG,H1',7,3.444,4.950,4.520,0.735
NAG,H2,13,3.056,7.835,4.332,1.571
NAG,H2',7,3.750,3.890,3.850,0.068
NAG,H3,11,3.145,3.863,3.477,0.260
NAG,H3',7,3.750,176.500,53.107,84.293
NAG,H4,11,2.841,3.934,3.433,0.359
NAG,H4',7,3.444,25.140,9.643,10.587
NAG,H5,13,1.882,3.806,3.206,0.535
NAG,H5',7,3.750,100.760,59.184,51.854
NAG,H6,2,3.86,3.86,3.860,0.000
NAG,H61,11,2.552,3.934,3.552,0.440
NAG,H62,11,3.037,4.011,3.548,0.336
NAG,H8,2,1.984,2.02,2.002,0.025
NAG,H81,7,1.780,2.042,1.960,0.091
NAG,H82,7,1.780,2.042,1.960,0.091
NAG,H83,9,1.780,2.042,1.955,0.079
NAG,HC2,2,3.653,3.691,3.672,0.027
NAG,HC3,2,3.447,3.485,3.466,0.027
NAG,HC4,2,3.345,3.350,3.348,0.004
NAG,HN2,6,7.831,8.442,8.081,0.242
NAG,HO6,2,3.801,3.856,3.829,0.039
NAG,Me,7,25.140,74.470,53.329,26.368
NAG,N,1,122.92,122.92,122.920,
NAG,N2,3,121.530,129.64,125.256,4.095
NAG,NH2,1,8.189,8.189,8.189,
NAL,C10,1,58.007,58.007,58.007,
NAL,H,3,7.512,7.992,7.796,0.252
NAL,H1,3,7.547,9.022,8.073,0.823
NAL,H10,1,4.781,4.781,4.781,
NAL,H3,3,4.633,7.308,5.561,1.514
NAL,H4,3,3.318,7.754,4.811,2.549
NAL,H5,2,3.219,3.220,3.220,0.001
NAL,H6,2,7.358,7.467,7.413,0.077
NAL,H7,2,7.549,7.640,7.595,0.064
NAL,H8,2,7.754,7.882,7.818,0.091
NAL,H91,2,3.273,7.849,5.561,3.236
NAL,H92,2,3.273,7.437,5.355,2.944
NAL,HA,2,4.870,4.880,4.875,0.007
NAL,HB2,2,3.076,3.084,3.080,0.006
NAL,HB3,2,3.788,3.820,3.804,0.023
NAL,HD1,2,7.573,7.581,7.577,0.006
NAL,HD2,2,7.432,7.440,7.436,0.006
NAL,HE2,2,7.974,7.980,7.977,0.004
NAL,HH1,2,7.540,7.546,7.543,0.004
NAL,HH2,2,7.878,7.900,7.889,0.016
NAL,HP,2,7.510,7.518,7.514,0.006
NAL,HXT,1,7.430,7.430,7.430,
NAL,HZ1,2,7.847,7.860,7.854,0.009
NAM,C1,2,101.9,102.69,102.295,0.559
NAM,C2,2,55.4,56.7,56.050,0.919
NAM,C3,2,80.08,80.08,80.080,0.000
NAM,C4,2,75.62,76.09,75.855,0.332
NAM,C5,2,75.81,75.81,75.810,0.000
NAM,C6,2,61.06,61.89,61.475,0.587
NAM,C8,2,23.02,23.11,23.065,0.064
NAM,H,2,7.63,7.95,7.790,0.226
NAM,H1,2,4.33,4.47,4.400,0.099
NAM,H2,2,3.7,3.78,3.740,0.057
NAM,H3,2,3.56,3.6,3.580,0.028
NAM,H4,2,3.78,3.82,3.800,0.028
NAM,H5,2,3.43,3.47,3.450,0.028
NAM,H6,2,3.82,3.90,3.860,0.057
NAM,N,2,121.9,122.96,122.430,0.750
NAM_2,C11,1,22.326,22.326,22.326,
NAM_2,C2,1,56.135,56.135,56.135,
NAM_2,C3,1,75.881,75.881,75.881,
NAM_2,C4,1,75.416,75.416,75.416,
NAM_2,C8,1,26.135,26.135,26.135,
NAM_2,C9,1,79.997,79.997,79.997,
NAM_2,H1,1,4.931,4.931,4.931,
NAM_2,H111,1,1.297,1.297,1.297,
NAM_2,H112,1,1.297,1.297,1.297,
NAM_2,H113,1,1.297,1.297,1.297,
NAM_2,H2,1,3.862,3.862,3.862,
NAM_2,H3,1,3.613,3.613,3.613,
NAM_2,H4,1,3.714,3.714,3.714,
NAM_2,H81,1,1.813,1.813,1.813,
NAM_2,H82,1,1.813,1.813,1.813,
NAM_2,H83,1,1.813,1.813,1.813,
NAM_2,H9,1,4.133,4.133,4.133,
NAM_2,HN2,1,7.021,7.021,7.021,
NAP,1H14,1,3.546,3.546,3.546,
NAP,1H17,1,3.515,3.515,3.515,
NAP,1H20,1,3.558,3.558,3.558,
NAP,1H9,1,2.542,2.542,2.542,
NAP,1HN4,1,11.893,11.893,11.893,
NAP,1HN7,1,9.203,9.203,9.203,
NAP,2H14,1,3.546,3.546,3.546,
NAP,2H17,1,3.515,3.515,3.515,
NAP,2H20,1,3.558,3.558,3.558,
NAP,2H9,1,3.356,3.356,3.356,
NAP,2HN4,1,6.904,6.904,6.904,
NAP,3H14,1,3.546,3.546,3.546,
NAP,3H17,1,3.515,3.515,3.515,
NAP,3H20,1,3.558,3.558,3.558,
NAP,AH1*,1,6.748,6.748,6.748,
NAP,AH2,1,7.342,7.342,7.342,
NAP,AH2*,1,4.621,4.621,4.621,
NAP,AH3*,1,4.514,4.514,4.514,
NAP,AH4*,1,4.227,4.227,4.227,
NAP,AH51,1,4.066,4.066,4.066,
NAP,AH52,1,4.213,4.213,4.213,
NAP,AH61,1,6.506,6.506,6.506,
NAP,AH8,1,7.984,7.984,7.984,
NAP,H1,1,6.286,6.286,6.286,
NAP,H11,1,5.775,5.775,5.775,
NAP,H21,1,5.767,5.767,5.767,
NAP,NH1*,1,4.526,4.526,4.526,
NAP,NH2,1,7.300,7.300,7.300,
NAP,NH2*,1,3.533,3.533,3.533,
NAP,NH4*,1,3.612,3.612,3.612,
NAP,NH41,1,3.339,3.339,3.339,
NAP,NH42,1,3.463,3.463,3.463,
NAP,NH5,1,5.610,5.610,5.610,
NAP,NH51,1,3.682,3.682,3.682,
NAP,NH52,1,4.069,4.069,4.069,
NAP,NH6,1,6.778,6.778,6.778,
NAP,NH71,1,7.545,7.545,7.545,
NAP,NH72,1,8.418,8.418,8.418,
NAP,NHO3,1,6.410,6.410,6.410,
NAZ,H35,2,12.595,12.709,12.652,0.081
NAZ,H36,2,3.669,3.706,3.688,0.026
NAZ,H37,2,4.105,4.113,4.109,0.006
NAZ,H38,2,3.329,3.341,3.335,0.008
NAZ,H39,2,3.397,3.454,3.426,0.040
NAZ,H40,2,8.748,8.793,8.771,0.032
NAZ,H41,2,3.27,3.298,3.284,0.020
NAZ,H42,2,3.168,3.197,3.183,0.021
NAZ,H43,2,2.589,2.631,2.610,0.030
NAZ,H44,2,2.409,2.483,2.446,0.052
NAZ,H45,2,7.63,7.766,7.698,0.096
NAZ,H46,2,6.493,6.664,6.579,0.121
NAZ,H47,2,5.978,6.159,6.069,0.128
NAZ,H48,2,6.18,6.465,6.323,0.202
NAZ,H49,2,10.664,10.914,10.789,0.177
NAZ,H50,2,1.71,1.815,1.763,0.074
NAZ,H53,2,2.767,2.788,2.778,0.015
NAZ,H55,2,8.438,8.466,8.452,0.020
NAZ,H56,2,5.845,5.903,5.874,0.041
NAZ,H57,2,6.899,6.997,6.948,0.069
NAZ,H58,2,6.283,6.377,6.330,0.066
NAZ,H59,2,6.673,6.787,6.730,0.081
NCX,H1',1,5.75,5.75,5.750,
NCX,H2,1,7.40,7.40,7.400,
NCX,H2',1,2.35,2.35,2.350,
NCX,H2'',1,2.60,2.60,2.600,
NCX,H3,1,6.87,6.87,6.870,
NCX,H3',1,4.93,4.93,4.930,
NCX,H4',1,4.27,4.27,4.270,
NCX,H5',1,3.95,3.95,3.950,
NCX,H5'',1,4.09,4.09,4.090,
NCX,H6,1,7.92,7.92,7.920,
NCX,H8,1,7.96,7.96,7.960,
NCX,HH71,1,6.64,6.64,6.640,
NCX,HH72,1,7.44,7.44,7.440,
NCX,P,1,-4.19,-4.19,-4.190,
NDG,C1,1,99.152,99.152,99.152,
NDG,C2,1,56.252,56.252,56.252,
NDG,C3,1,72.537,72.537,72.537,
NDG,C4,1,80.598,80.598,80.598,
NDG,C5,1,62.515,62.515,62.515,
NDG,C6,1,73.342,73.342,73.342,
NDG,H1,1,4.819,4.819,4.819,
NDG,H2,1,3.953,3.953,3.953,
NDG,H3,1,3.841,3.841,3.841,
NDG,H4,1,3.610,3.610,3.610,
NDG,H5,1,3.907,3.907,3.907,
NDG,H6C1,1,3.842,3.842,3.842,
NDG,H6C2,1,3.842,3.842,3.842,
NDG,H8C1,1,2.042,2.042,2.042,
NDG,H8C2,1,2.042,2.042,2.042,
NDG,H8C3,1,2.042,2.042,2.042,
NDG,HA,1,8.101,8.101,8.101,
NDP,H1B,1,6.707,6.707,6.707,
NDP,H1D,1,4.521,4.521,4.521,
NDP,H21N,1,4.434,4.434,4.434,
NDP,H2A,1,4.569,4.569,4.569,
NDP,H2B,1,6.707,6.707,6.707,
NDP,H2N,1,7.353,7.353,7.353,
NDP,H3D,1,3.717,3.717,3.717,
NDP,H41N,1,3.389,3.389,3.389,
NDP,H42N,1,3.528,3.528,3.528,
NDP,H4B,1,4.160,4.160,4.160,
NDP,H4D,1,3.717,3.717,3.717,
NDP,H51A,1,4.208,4.208,4.208,
NDP,H51N,1,4.019,4.019,4.019,
NDP,H52A,1,4.058,4.058,4.058,
NDP,H52N,1,4.019,4.019,4.019,
NDP,H5N,1,5.724,5.724,5.724,
NDP,H61A,1,7.917,7.917,7.917,
NDP,H62A,1,8.082,8.082,8.082,
NDP,H6N,1,6.689,6.689,6.689,
NDP,H71N,1,8.766,8.766,8.766,
NDP,H72N,1,8.182,8.182,8.182,
NDP,H8A,1,7.968,7.968,7.968,
NDP,HO3A,1,4.511,4.511,4.511,
NDP,HO3N,1,4.444,4.444,4.444,
NDP,HOA2,1,7.332,7.332,7.332,
NFA,CA,2,57.338,57.724,57.531,0.273
NFA,CB,2,39.452,39.898,39.675,0.315
NFA,CD1,1,131.545,131.545,131.545,
NFA,CD2,1,131.545,131.545,131.545,
NFA,CZ,1,128.498,128.498,128.498,
NFA,H,5,7.682,8.110,7.810,0.176
NFA,H2,1,1.752,1.752,1.752,
NFA,HA,5,4.515,4.65,4.569,0.067
NFA,HB2,5,2.703,3.43,3.109,0.329
NFA,HB3,5,2.82,3.279,2.976,0.183
NFA,HD1,4,6.97,7.354,7.199,0.184
NFA,HD2,3,7.257,7.354,7.317,0.053
NFA,HE1,4,7.206,7.50,7.327,0.133
NFA,HE2,1,7.206,7.206,7.206,
NFA,HZ,4,7.093,7.40,7.235,0.130
NGH,H1,1,4.210,4.210,4.210,
NGH,H101,1,6.633,6.633,6.633,
NGH,H102,1,7.500,7.500,7.500,
NGH,H131,1,0.928,0.928,0.928,
NGH,H132,1,0.928,0.928,0.928,
NGH,H133,1,0.928,0.928,0.928,
NGH,H141,1,0.928,0.928,0.928,
NGH,H142,1,0.928,0.928,0.928,
NGH,H143,1,0.928,0.928,0.928,
NGH,H2,1,4.516,4.516,4.516,
NGH,H4,1,3.543,3.543,3.543,
NGH,H5,1,2.170,2.170,2.170,
NGH,H71,1,3.790,3.790,3.790,
NGH,H72,1,3.790,3.790,3.790,
NGH,H73,1,3.790,3.790,3.790,
NGH,H91,1,7.500,7.500,7.500,
NGH,H92,1,6.633,6.633,6.633,
NGH,HN1,1,11.418,11.418,11.418,
NH2,H1,1,7.10,7.10,7.100,
NH2,H2,1,7.54,7.54,7.540,
NH2,HC,1,7.22,7.22,7.220,
NH2,HN1,86,0.99,8.580,7.296,0.770
NH2,HN2,82,0.99,7.92,7.111,0.754
NH2,HT,1,7.77,7.77,7.770,
NH2,HT1,26,7.055,7.57,7.456,0.144
NH2,HT2,26,6.922,7.400,7.169,0.091
NH2,HXT1,1,7.745,7.745,7.745,
NH2,HXT2,1,7.745,7.745,7.745,
NH2,N,10,95.2,117.51,108.181,5.555
NH2,NE,1,107.7,107.7,107.700,
NH2,NT,2,106.580,106.625,106.603,0.032
NLE,CA,20,47.7,60.66,51.581,2.694
NLE,H,34,6.41,9.35,8.269,0.737
NLE,HA,33,3.820,5.01,4.388,0.348
NLE,HB2,33,1.410,2.143,1.695,0.156
NLE,HB3,13,1.334,2.143,1.658,0.247
NLE,HD2,32,0.86,1.830,1.267,0.210
NLE,HD3,11,0.66,1.333,1.154,0.238
NLE,HE1,25,0.78,0.91,0.852,0.033
NLE,HE2,7,0.83,0.87,0.855,0.015
NLE,HE3,7,0.83,0.87,0.855,0.015
NLE,HG2,32,1.23,1.95,1.563,0.202
NLE,HG3,11,1.15,1.634,1.358,0.165
NLE,N,1,132.41,132.41,132.410,
NLG,H2,1,8.46,8.46,8.460,
NLG,HA,1,4.15,4.15,4.150,
NLG,HBC1,1,2.13,2.13,2.130,
NLG,HBC2,1,2.05,2.05,2.050,
NLG,HGC1,1,2.42,2.42,2.420,
NLG,HGC2,1,2.42,2.42,2.420,
NLQ,H,1,8.52,8.52,8.520,
NLQ,HA,1,4.34,4.34,4.340,
NLQ,HB2,1,1.96,1.96,1.960,
NLQ,HB3,1,2.09,2.09,2.090,
NLQ,HE21,1,7.68,7.68,7.680,
NLQ,HE22,1,7.68,7.68,7.680,
NLQ,HG2,1,2.38,2.38,2.380,
NLQ,HG3,1,2.38,2.38,2.380,
NMeTRP,HA,1,4.045,4.045,4.045,
NMeTRP,HB2,1,3.154,3.154,3.154,
NMeTRP,HB3,1,3.154,3.154,3.154,
NMeTRP,HD1,1,7.054,7.054,7.054,
NMeTRP,HE1,1,10.849,10.849,10.849,
NMeTRP,HE3,1,7.415,7.415,7.415,
NMeTRP,HM1,1,2.697,2.697,2.697,
NMeTRP,HM2,1,2.697,2.697,2.697,
NMeTRP,HM3,1,2.697,2.697,2.697,
NMeTRP,HZ2,1,7.263,7.263,7.263,
NO1,HB1C,1,2.380,2.380,2.380,
NO1,HB2C,1,2.380,2.380,2.380,
NO1,HB3C,1,2.380,2.380,2.380,
NO1,HE1,1,10.902,10.902,10.902,
NO1,HF1C,1,4.307,4.307,4.307,
NO1,HF2C,1,4.307,4.307,4.307,
NO1,HH2,1,7.095,7.095,7.095,
NO1,HZ2,1,7.973,7.973,7.973,
NO1,HZ3,1,5.769,5.769,5.769,
NP1,HA1,1,3.123,3.123,3.123,
NP1,HA2,1,3.123,3.123,3.123,
NP1,HB1,1,2.083,2.083,2.083,
NP1,HB2,1,2.083,2.083,2.083,
NP1,HE1,1,6.988,6.988,6.988,
NP1,HG1,1,3.577,3.577,3.577,
NP1,HG2,1,3.577,3.577,3.577,
NPP,HA1,1,3.138,3.138,3.138,
NPP,HB1,1,2.090,2.090,2.090,
NPP,HE1,1,7.089,7.089,7.089,
NPP,HG1,1,3.563,3.563,3.563,
NPP,HR1,1,7.603,7.603,7.603,
NPP,HR2,1,8.169,8.169,8.169,
NPP,HZ,1,6.781,6.781,6.781,
NT,H11,1,6.599,6.599,6.599,
NT,H13,1,7.668,7.668,7.668,
NT,H141,1,3.956,3.956,3.956,
NT,H142,1,3.956,3.956,3.956,
NT,H143,1,3.956,3.956,3.956,
NT,H161,1,2.559,2.559,2.559,
NT,H162,1,2.851,2.851,2.851,
NT,H171,1,3.557,3.557,3.557,
NT,H172,1,3.721,3.721,3.721,
NT,H21,1,4.004,4.004,4.004,
NT,H22,1,4.092,4.092,4.092,
NT,H5,1,6.702,6.702,6.702,
NT,H7,1,7.486,7.486,7.486,
NT,H81,1,4.021,4.021,4.021,
NT,H82,1,4.021,4.021,4.021,
NT,H83,1,4.021,4.021,4.021,
NT,HN01,1,8.442,8.442,8.442,
NT,HN02,1,8.442,8.442,8.442,
NT,HN10,1,8.442,8.442,8.442,
NT,HN4,1,8.919,8.919,8.919,
NT,HN6,1,9.284,9.284,9.284,
NT,HN8,1,8.919,8.919,8.919,
NT,HN9,1,8.442,8.442,8.442,
NVA,CA,1,36.96,36.96,36.960,
NVA,CB,1,42.05,42.05,42.050,
NVA,CD,1,59.26,59.26,59.260,
NVA,CG,1,55.33,55.33,55.330,
NVA,H,1,7.97,7.97,7.970,
NVA,HB2,1,3.07,3.07,3.070,
NVA,HB3,1,3.28,3.28,3.280,
NVA,HD1,1,1.81,1.81,1.810,
NVA,HD2,1,1.81,1.81,1.810,
NVA,HD3,1,1.81,1.81,1.810,
NVA,HG2,1,1.47,1.47,1.470,
NVA,HG3,1,1.56,1.56,1.560,
NVA,N,1,115.86,115.86,115.860,
OHO,C,4,177.40,177.50,177.450,0.058
OHO,CA,4,55.20,55.30,55.250,0.058
OHO,CB,4,28.20,28.20,28.200,0.000
OHO,CD,4,51.30,52.30,51.800,0.577
OHO,CG,4,23.80,26.10,24.950,1.328
OHO,H,4,7.61,8.61,8.110,0.577
OHO,HA,4,4.29,4.30,4.295,0.006
OHO,HB2,4,1.77,1.92,1.845,0.087
OHO,HB3,4,1.77,1.92,1.845,0.087
OHO,HD2,4,3.67,3.68,3.675,0.006
OHO,HD3,4,3.62,3.62,3.620,0.000
OHO,HG2,4,1.40,2.00,1.700,0.346
OHO,HG3,4,1.40,1.42,1.410,0.012
OHO,HZ,4,7.88,7.90,7.890,0.012
OHO,N,2,117.64,117.64,117.640,0.000
OLA,C10,2,133.713,133.713,133.713,0.000
OLA,C18,2,17.312,17.312,17.312,0.000
OLA,C2,2,41.008,41.008,41.008,0.000
OLA,C8,2,29.568,29.568,29.568,0.000
OLA,H10,2,5.162,5.167,5.165,0.004
OLA,H111,2,1.838,1.838,1.838,0.000
OLA,H112,2,1.838,1.838,1.838,0.000
OLA,H161,2,0.910,0.910,0.910,0.000
OLA,H181,2,0.832,0.832,0.832,0.000
OLA,H182,2,0.832,0.832,0.832,0.000
OLA,H183,2,0.832,0.832,0.832,0.000
OLA,H21,2,1.838,1.838,1.838,0.000
OLA,H22,2,1.838,1.838,1.838,0.000
OLA,H81,2,1.832,1.836,1.834,0.003
OLA,H82,2,1.832,1.835,1.834,0.002
OLA,H9,2,5.155,5.167,5.161,0.008
OMC,H1',2,5.538,5.610,5.574,0.051
OMC,H2',2,4.285,4.291,4.288,0.004
OMC,H3',2,4.389,4.429,4.409,0.028
OMC,H4',2,3.826,3.842,3.834,0.011
OMC,H5,2,5.326,5.391,5.359,0.046
OMC,H6,2,7.555,7.558,7.557,0.002
OMC,HM21,2,3.647,3.653,3.650,0.004
OMC,HN41,1,6.89,6.89,6.890,
OMC,HN42,1,7.28,7.28,7.280,
OMG,C1',4,88.712,89.785,89.154,0.478
OMG,C2',3,83.575,83.932,83.707,0.196
OMG,C8,4,136.039,137.960,136.916,0.917
OMG,H1,4,10.624,13.269,12.301,1.155
OMG,H1',7,5.552,9.257,6.206,1.348
OMG,H2',6,4.078,4.485,4.341,0.178
OMG,H21,2,8.017,8.529,8.273,0.362
OMG,H22,3,6.242,6.736,6.480,0.247
OMG,H3',3,4.424,4.819,4.652,0.204
OMG,H4',2,4.011,4.297,4.154,0.202
OMG,H5',2,3.892,4.063,3.978,0.121
OMG,H5'',3,3.750,4.011,3.920,0.148
OMG,H8,6,7.082,8.191,7.655,0.467
OMG,HM2*,4,3.703,3.789,3.732,0.039
OMG,HM21,2,3.356,3.390,3.373,0.024
OMG,N1,1,145.320,145.320,145.320,
ONH,H,2,8.45,8.45,8.450,0.000
ONH,HA,2,4.32,4.68,4.500,0.255
ONH,HB2,2,1.87,2.06,1.965,0.134
ONH,HB3,2,1.65,1.66,1.655,0.007
ONH,HD2,2,3.47,3.54,3.505,0.049
ONH,HD3,1,3.48,3.48,3.480,
ONH,HG2,2,1.82,1.90,1.860,0.057
ONH,HG3,2,1.77,1.84,1.805,0.049
ORN,CA,4,55.320,55.89,55.723,0.272
ORN,CB,4,30.68,32.430,31.380,0.857
ORN,CD,3,2.950,41.79,28.843,22.424
ORN,CG,2,26.13,26.13,26.130,0.000
ORN,H,10,7.970,8.63,8.338,0.202
ORN,H1,1,7.28,7.28,7.280,
ORN,HA,10,4.15,4.892,4.390,0.218
ORN,HB2,10,1.58,1.90,1.786,0.110
ORN,HB3,10,1.430,1.890,1.743,0.147
ORN,HD,1,3.00,3.00,3.000,
ORN,HD2,7,2.559,3.395,2.980,0.251
ORN,HD3,5,2.702,3.02,2.884,0.147
ORN,HE1,1,7.057,7.057,7.057,
ORN,HG,1,1.71,1.71,1.710,
ORN,HG2,9,1.46,1.78,1.638,0.110
ORN,HG3,6,1.251,1.78,1.628,0.193
ORN,HNE2,1,7.66,7.66,7.660,
ORN,HNE3,1,7.66,7.66,7.660,
ORN,HZ,2,7.69,7.69,7.690,0.000
ORN,N,2,121.14,125.0,123.070,2.729
ORN,NH2,1,109.45,109.45,109.450,
ORP,H1,4,5.62,5.65,5.635,0.013
ORP,H21,4,1.95,2.26,2.098,0.160
ORP,H22,4,1.95,2.26,2.105,0.173
ORP,H3,4,4.60,4.63,4.615,0.013
ORP,H4,4,4.48,4.49,4.485,0.006
ORP,H5,1,4.59,4.59,4.590,
ORP,H6,1,2.489,2.489,2.489,
ORP,H7,1,2.051,2.051,2.051,
ORP,H8,1,5.583,5.583,5.583,
ORP,P,4,-2.79,-2.74,-2.765,0.029
P11,H10,1,7.77,7.77,7.770,
P11,H10N,1,11.14,11.14,11.140,
P11,H111,1,4.03,4.03,4.030,
P11,H112,1,4.03,4.03,4.030,
P11,H113,1,4.03,4.03,4.030,
P11,H11N,1,9.26,9.26,9.260,
P11,H131,1,2.91,2.91,2.910,
P11,H132,1,2.94,2.94,2.940,
P11,H141,1,3.70,3.70,3.700,
P11,H142,1,4.01,4.01,4.010,
P11,H14N,1,8.08,8.08,8.080,
P11,H16N,1,8.66,8.66,8.660,
P11,H171,1,4.12,4.12,4.120,
P11,H172,1,4.12,4.12,4.120,
P11,H173,1,4.12,4.12,4.120,
P11,H17N,1,8.66,8.66,8.660,
P11,H19,1,7.62,7.62,7.620,
P11,H211,1,2.56,2.56,2.560,
P11,H212,1,3.04,3.04,3.040,
P11,H221,1,3.61,3.61,3.610,
P11,H222,1,4.13,4.13,4.130,
P11,H251,1,4.14,4.14,4.140,
P11,H252,1,4.14,4.14,4.140,
P11,H253,1,4.14,4.14,4.140,
P11,H27,1,7.73,7.73,7.730,
P11,H30,1,6.46,6.46,6.460,
P11,H31,1,4.12,4.12,4.120,
P11,H32,1,4.12,4.12,4.120,
P11,H33,1,4.12,4.12,4.120,
P11,H331,1,3.94,3.94,3.940,
P11,H332,1,3.94,3.94,3.940,
P11,H333,1,3.94,3.94,3.940,
P11,H351,1,2.42,2.42,2.420,
P11,H352,1,2.65,2.65,2.650,
P11,H361,1,3.43,3.43,3.430,
P11,H362,1,3.53,3.53,3.530,
P11,H371,1,3.12,3.12,3.120,
P11,H372,1,3.38,3.38,3.380,
P11,H381,1,1.94,1.94,1.940,
P11,H382,1,1.94,1.94,1.940,
P11,H391,1,3.12,3.12,3.120,
P11,H392,1,3.18,3.18,3.180,
P11,H4,1,7.21,7.21,7.210,
P11,H401,1,2.90,2.90,2.900,
P11,H402,1,2.90,2.90,2.900,
P11,H403,1,2.90,2.90,2.900,
P11,H411,1,2.90,2.90,2.900,
P11,H412,1,2.90,2.90,2.900,
P11,H413,1,2.90,2.90,2.900,
P11,H5,1,7.33,7.33,7.330,
P11,H8,1,6.77,6.77,6.770,
P11,HN1,1,9.65,9.65,9.650,
P11,HN4,1,8.24,8.24,8.240,
P11,HN6,1,9.87,9.87,9.870,
P11,HN7,1,8.35,8.35,8.350,
P5P,H1',5,5.99,6.16,6.074,0.083
P5P,H2,5,8.13,8.97,8.566,0.319
P5P,H2',5,4.17,4.82,4.592,0.247
P5P,H3',5,4.33,4.86,4.674,0.216
P5P,H4',5,4.24,4.67,4.430,0.207
P5P,H5',4,4.39,4.59,4.513,0.087
P5P,H5'',4,4.03,4.3,4.225,0.130
P5P,H5'1,1,4.44,4.44,4.440,
P5P,H5'2,1,4.10,4.10,4.100,
P5P,H6,5,8.65,9.03,8.886,0.155
P5P,H8,5,8.4,8.64,8.506,0.098
P5P,P,5,-2.1,0.38,-1.358,1.033
PBT,H1',2,5.22,5.45,5.335,0.163
PBT,H2'1,2,1.72,1.97,1.845,0.177
PBT,H2'2,2,1.84,2.37,2.105,0.375
PBT,H3,2,9.97,11.94,10.955,1.393
PBT,H3',2,4.72,4.77,4.745,0.035
PBT,H4',2,3.84,4.23,4.035,0.276
PBT,H5M1,2,0.75,1.45,1.100,0.495
PBT,H5M2,2,0.75,1.45,1.100,0.495
PBT,H5M3,2,0.75,1.45,1.100,0.495
PBT,H6C1,2,4.05,4.40,4.225,0.247
PBT,H6C2,2,4.05,4.40,4.225,0.247
PBU,C1,1,75.792,75.792,75.792,
PBU,C1',1,62.945,62.945,62.945,
PBU,C10,1,13.540,13.540,13.540,
PBU,C12,1,33.990,33.990,33.990,
PBU,C13,1,18.002,18.002,18.002,
PBU,C14,1,13.462,13.462,13.462,
PBU,C2,1,70.759,70.759,70.759,
PBU,C2',1,70.889,70.889,70.889,
PBU,C3,1,70.330,70.330,70.330,
PBU,C3',1,63.872,63.872,63.872,
PBU,C4,1,76.887,76.887,76.887,
PBU,C5,1,78.318,78.318,78.318,
PBU,C6,1,70.932,70.932,70.932,
PBU,C7,1,176.135,176.135,176.135,
PBU,C8,1,34.199,34.199,34.199,
PBU,C9,1,18.002,18.002,18.002,
PBU,H1,1,3.991,3.991,3.991,
PBU,H11,1,0.865,0.865,0.865,
PBU,H1'1,1,4.277,4.277,4.277,
PBU,H12,1,0.865,0.865,0.865,
PBU,H1'2,1,4.394,4.394,4.394,
PBU,H121,1,2.386,2.386,2.386,
PBU,H122,1,2.386,2.386,2.386,
PBU,H13,1,0.865,0.865,0.865,
PBU,H131,1,1.582,1.582,1.582,
PBU,H132,1,1.582,1.582,1.582,
PBU,H141,1,0.851,0.851,0.851,
PBU,H142,1,0.851,0.851,0.851,
PBU,H143,1,0.851,0.851,0.851,
PBU,H2,1,4.220,4.220,4.220,
PBU,H2',1,5.216,5.216,5.216,
PBU,H3,1,3.661,3.661,3.661,
PBU,H3'1,1,4.089,4.089,4.089,
PBU,H3'2,1,4.114,4.114,4.114,
PBU,H4,1,4.322,4.322,4.322,
PBU,H5,1,4.044,4.044,4.044,
PBU,H6,1,3.920,3.920,3.920,
PBU,H81,1,2.349,2.349,2.349,
PBU,H82,1,2.349,2.349,2.349,
PBU,H91,1,1.565,1.565,1.565,
PBU,H92,1,1.565,1.565,1.565,
PCA,C,2,175.880,177.884,176.882,1.417
PCA,CA,15,56.753,63.042,59.475,1.310
PCA,CB,14,26.815,31.558,28.280,1.081
PCA,CD,1,177.617,177.617,177.617,
PCA,CG,12,27.817,32.937,31.628,1.252
PCA,H,34,6.625,8.39,7.785,0.383
PCA,H1,1,8.089,8.089,8.089,
PCA,HA,49,3.509,4.68,4.213,0.252
PCA,HB2,46,1.613,2.834,2.223,0.293
PCA,HB3,47,1.34,2.59,2.157,0.300
PCA,HG2,44,0.86,2.73,2.302,0.354
PCA,HG3,41,0.574,2.665,2.182,0.474
PCA,N,9,123.554,126.56,125.087,0.832
PDU,H1',6,6.10,6.38,6.207,0.131
PDU,H2',6,2.36,2.46,2.402,0.047
PDU,H2'',6,2.38,2.81,2.635,0.200
PDU,H3',6,4.63,4.94,4.828,0.150
PDU,H4',6,4.16,4.38,4.285,0.097
PDU,H5',5,4.20,4.27,4.250,0.029
PDU,H5'',5,4.17,4.24,4.192,0.029
PDU,H6,6,7.77,7.98,7.887,0.089
PDU,H71,6,2.04,2.07,2.053,0.012
PDU,H72,6,2.04,2.07,2.053,0.012
PDU,H73,6,2.04,2.07,2.053,0.012
PFF,F,1,-115.50,-115.50,-115.500,
PFF,H,7,7.489,8.33,7.901,0.414
PFF,HA,7,4.59,5.064,4.756,0.200
PFF,HB2,7,2.791,3.054,2.920,0.090
PFF,HB3,7,3.02,3.614,3.299,0.274
PFF,HD1,7,7.035,7.254,7.143,0.066
PFF,HD2,5,7.113,7.16,7.142,0.024
PFF,HE1,6,6.680,7.078,6.958,0.142
PFF,HE2,4,6.98,7.078,7.005,0.049
PFX,CA,1,58.69,58.69,58.690,
PFX,HA,1,4.2,4.2,4.200,
PFX,HB2,1,3.19,3.19,3.190,
PFX,HB3,1,3.19,3.19,3.190,
PFX,HD1,1,7.73,7.73,7.730,
PFX,HD2,1,7.73,7.73,7.730,
PFX,HE1,1,7.36,7.36,7.360,
PFX,HE2,1,7.36,7.36,7.360,
PHF,CB,1,39.5300,39.5300,39.530,
PHF,H,1,8.8590,8.8590,8.859,
PHF,HA,1,4.1690,4.1690,4.169,
PHF,HB2,1,2.8570,2.8570,2.857,
PHF,HB3,1,2.6110,2.6110,2.611,
PHF,N,1,114.7560,114.7560,114.756,
PHL,C,4,64.215,66.61,65.356,1.286
PHL,CA,4,53.457,55.95,54.608,1.233
PHL,CB,4,36.738,38.92,37.909,1.167
PHL,CD,1,131.88,131.88,131.880,
PHL,CD1,1,129.971,129.971,129.971,
PHL,CE,1,130.26,130.26,130.260,
PHL,CE1,1,128.251,128.251,128.251,
PHL,CZ,2,121.242,128.33,124.786,5.012
PHL,H,5,7.147,7.567,7.378,0.201
PHL,H1,2,3.62,3.633,3.627,0.009
PHL,H2,4,3.62,3.748,3.678,0.062
PHL,HA,5,3.628,4.210,4.063,0.245
PHL,HB2,5,2.635,2.763,2.712,0.056
PHL,HB3,5,2.889,3.183,3.031,0.114
PHL,HD,1,7.28,7.28,7.280,
PHL,HD1,2,7.28,7.449,7.365,0.120
PHL,HD2,2,7.28,7.449,7.365,0.120
PHL,HE,1,7.28,7.28,7.280,
PHL,HE1,2,7.22,7.360,7.290,0.099
PHL,HE2,2,7.22,7.360,7.290,0.099
PHL,HZ,3,7.134,7.14,7.138,0.003
PHL,N,4,117.698,118.335,118.004,0.261
PLM,C2,1,39.64,39.64,39.640,
PLM,C3,1,28.54,28.54,28.540,
PLM,C4,1,32.21,32.21,32.210,
PLM,CD,1,32.34,32.34,32.340,
PLM,CE,1,34.39,34.39,34.390,
PLM,CF,1,25.03,25.03,25.030,
PLM,CG,1,16.41,16.41,16.410,
PLM,H101,1,1.035,1.035,1.035,
PLM,H102,1,1.035,1.035,1.035,
PLM,H111,1,1.063,1.063,1.063,
PLM,H112,1,1.063,1.063,1.063,
PLM,H121,1,1.063,1.063,1.063,
PLM,H122,1,1.063,1.063,1.063,
PLM,H13,1,1.305,1.305,1.305,
PLM,H131,1,1.013,1.013,1.013,
PLM,H132,1,1.013,1.013,1.013,
PLM,H14,1,1.245,1.245,1.245,
PLM,H141,1,1.071,1.071,1.071,
PLM,H142,1,1.071,1.071,1.071,
PLM,H15,2,1.169,1.236,1.203,0.047
PLM,H151,1,1.076,1.076,1.076,
PLM,H152,1,1.076,1.076,1.076,
PLM,H16,2,0.753,0.845,0.799,0.065
PLM,H161,1,0.694,0.694,0.694,
PLM,H162,1,0.694,0.694,0.694,
PLM,H163,1,0.694,0.694,0.694,
PLM,H2,2,2.162,2.349,2.256,0.132
PLM,H21,2,1.902,2.22,2.061,0.225
PLM,H22,2,1.902,2.22,2.061,0.225
PLM,H3,2,1.497,1.576,1.537,0.056
PLM,H31,2,0.966,1.59,1.278,0.441
PLM,H32,2,0.966,1.59,1.278,0.441
PLM,H4,2,1.207,1.306,1.257,0.070
PLM,H41,2,0.996,1.28,1.138,0.201
PLM,H42,2,0.996,1.28,1.138,0.201
PLM,H5,1,1.244,1.244,1.244,
PLM,H51,1,1.072,1.072,1.072,
PLM,H52,1,1.072,1.072,1.072,
PLM,H61,1,1.036,1.036,1.036,
PLM,H62,1,1.036,1.036,1.036,
PLM,H71,1,1.072,1.072,1.072,
PLM,H72,1,1.072,1.072,1.072,
PLM,H81,1,1.055,1.055,1.055,
PLM,H82,1,1.055,1.055,1.055,
PLM,H91,1,1.071,1.071,1.071,
PLM,H92,1,1.071,1.071,1.071,
PLM,HD1,1,1.28,1.28,1.280,
PLM,HD2,1,1.28,1.28,1.280,
PLM,HE1,1,1.23,1.23,1.230,
PLM,HE2,1,1.23,1.23,1.230,
PLM,HF1,1,1.25,1.25,1.250,
PLM,HF2,1,1.25,1.25,1.250,
PLM,HG,1,0.85,0.85,0.850,
PNS,1H28,2,3.383,3.480,3.432,0.069
PNS,1H30,2,0.843,0.931,0.887,0.062
PNS,1H31,2,0.931,0.941,0.936,0.007
PNS,1H37,2,3.487,3.558,3.523,0.050
PNS,1H38,2,2.485,2.487,2.486,0.001
PNS,1H42,2,3.233,3.463,3.348,0.163
PNS,1H43,2,2.790,2.834,2.812,0.031
PNS,2H28,2,3.759,3.788,3.774,0.021
PNS,2H30,2,0.843,0.931,0.887,0.062
PNS,2H31,2,0.931,0.941,0.936,0.007
PNS,2H37,2,3.469,3.487,3.478,0.013
PNS,2H38,2,2.485,2.487,2.486,0.001
PNS,2H42,2,3.199,3.463,3.331,0.187
PNS,2H43,2,2.790,2.834,2.812,0.031
PNS,3H30,2,0.843,0.931,0.887,0.062
PNS,3H31,2,0.931,0.941,0.936,0.007
PNS,C,1,175.832,175.832,175.832,
PNS,C28,4,73.7,74.24,73.937,0.239
PNS,C30,4,17.7,26.0,21.513,3.451
PNS,C31,4,22.55,26.0,23.868,1.500
PNS,C32,4,75.4,77.1,76.506,0.755
PNS,C34,3,177.2,177.57,177.357,0.191
PNS,C37,4,38.17,38.300,38.243,0.068
PNS,C38,4,38.0,41.18,38.846,1.559
PNS,C39,3,174.4,176.50,175.733,1.159
PNS,C42,4,38.08,45.3,43.446,3.577
PNS,C43,4,25.4,39.33,29.259,6.723
PNS,CA,1,60.335,60.335,60.335,
PNS,CB,1,65.374,65.374,65.374,
PNS,H,1,8.763,8.763,8.763,
PNS,H281,6,2.80,3.753,3.431,0.337
PNS,H282,6,3.415,3.893,3.662,0.194
PNS,H28A,1,3.335,3.335,3.335,
PNS,H28B,1,3.738,3.738,3.738,
PNS,H301,6,-0.41,0.952,0.692,0.542
PNS,H302,6,-0.41,0.952,0.692,0.542
PNS,H303,5,-0.41,0.952,0.640,0.589
PNS,H30A,1,0.820,0.820,0.820,
PNS,H30B,1,0.820,0.820,0.820,
PNS,H30C,2,0.820,0.951,0.886,0.093
PNS,H311,6,0.26,1.063,0.826,0.285
PNS,H312,6,0.26,1.063,0.826,0.285
PNS,H313,5,0.26,0.95,0.779,0.292
PNS,H31A,1,0.936,0.936,0.936,
PNS,H31B,1,0.936,0.936,0.936,
PNS,H31C,2,0.936,1.063,1.000,0.090
PNS,H32,7,3.80,4.035,3.980,0.082
PNS,H321,1,4.115,4.115,4.115,
PNS,H32A,1,3.988,3.988,3.988,
PNS,H36,8,7.37,8.168,7.966,0.249
PNS,H361,1,8.135,8.135,8.135,
PNS,H36A,1,8.005,8.005,8.005,
PNS,H371,6,2.40,3.622,3.294,0.452
PNS,H372,6,2.40,3.622,3.319,0.455
PNS,H37A,1,3.502,3.502,3.502,
PNS,H37B,1,3.502,3.502,3.502,
PNS,H381,6,2.441,2.94,2.566,0.192
PNS,H382,6,2.435,3.62,2.678,0.465
PNS,H38A,1,2.489,2.489,2.489,
PNS,H38B,1,2.489,2.489,2.489,
PNS,H41,8,7.26,8.311,8.105,0.346
PNS,H411,1,8.320,8.320,8.320,
PNS,H41A,1,8.157,8.157,8.157,
PNS,H421,6,2.80,3.432,3.244,0.225
PNS,H422,6,3.02,3.432,3.279,0.139
PNS,H42A,1,3.335,3.335,3.335,
PNS,H42B,1,3.335,3.335,3.335,
PNS,H431,5,2.45,3.009,2.703,0.266
PNS,H432,6,2.20,3.009,2.667,0.308
PNS,H43A,1,2.615,2.615,2.615,
PNS,H43B,1,2.615,2.615,2.615,
PNS,HA,1,3.793,3.793,3.793,
PNS,HB1,1,4.025,4.025,4.025,
PNS,HB2,1,4.025,4.025,4.025,
PNS,N,1,113.635,113.635,113.635,
PNS,N36,5,117.8,121.16,120.091,1.428
PNS,N41,5,123.7,124.577,124.099,0.326
POP,PA,2,-14.140,-12.230,-13.185,1.351
POP,PB,2,-13.550,-10.930,-12.240,1.853
PQ3,HA',1,11.346,11.346,11.346,
PQ3,HB,1,8.985,8.985,8.985,
PQ3,HB',1,8.926,8.926,8.926,
PQ3,HC,1,10.288,10.288,10.288,
PQ3,HC',1,10.234,10.234,10.234,
PQ3,HD,1,7.776,7.776,7.776,
PQ3,HD',1,7.784,7.784,7.784,
PQ3,HDA,1,12.141,12.141,12.141,
PQ3,HDG,1,8.120,8.120,8.120,
PQ3,HE,1,7.784,7.784,7.784,
PQ3,HE',1,7.784,7.784,7.784,
PQ3,HF,1,8.007,8.007,8.007,
PQ3,HF',1,8.063,8.063,8.063,
PQ3,HG',1,8.181,8.181,8.181,
PQ3,HH,1,8.009,8.009,8.009,
PQ3,HH',1,8.008,8.008,8.008,
PQ3,HI1,1,4.574,4.574,4.574,
PQ3,HI1',1,4.716,4.716,4.716,
PQ3,HI2,1,4.574,4.574,4.574,
PQ3,HI2',1,4.716,4.716,4.716,
PQ3,HI3,1,4.574,4.574,4.574,
PQ3,HI3',1,4.716,4.716,4.716,
PQ3,HJ,1,8.312,8.312,8.312,
PQ3,HJ',1,8.312,8.312,8.312,
PQ3,HK,1,7.786,7.786,7.786,
PQ3,HK',1,7.786,7.786,7.786,
PRF,H1,1,13.02,13.02,13.020,
PRF,H101,2,3.34,3.931,3.636,0.418
PRF,H102,2,3.45,4.589,4.020,0.805
PRF,H111,1,7.7,7.7,7.700,
PRF,H21,1,8.25,8.25,8.250,
PRF,H22,1,7.85,7.85,7.850,
PRF,H8,1,5.84,5.84,5.840,
PRF,H81,1,6.53,6.53,6.530,
PRF,H9,1,11.03,11.03,11.030,
PRF,HN11,1,11.693,11.693,11.693,
PRF,HN91,1,8.529,8.529,8.529,
PSR,H28A,1,3.447,3.447,3.447,
PSR,H28B,1,3.895,3.895,3.895,
PSR,H2A,1,2.635,2.635,2.635,
PSR,H2B,1,2.635,2.635,2.635,
PSR,H30A,1,0.958,0.958,0.958,
PSR,H30B,1,0.958,0.958,0.958,
PSR,H30C,1,0.958,0.958,0.958,
PSR,H31A,1,1.060,1.060,1.060,
PSR,H31B,1,1.060,1.060,1.060,
PSR,H31C,1,1.060,1.060,1.060,
PSR,H32A,1,4.126,4.126,4.126,
PSR,H36A,1,8.111,8.111,8.111,
PSR,H37A,1,3.584,3.584,3.584,
PSR,H37B,1,3.584,3.584,3.584,
PSR,H38A,1,2.565,2.565,2.565,
PSR,H38B,1,2.565,2.565,2.565,
PSR,H3A,1,1.676,1.676,1.676,
PSR,H3B,1,1.676,1.676,1.676,
PSR,H41A,1,8.266,8.266,8.266,
PSR,H42A,1,3.424,3.424,3.424,
PSR,H42B,1,3.424,3.424,3.424,
PSR,H43A,1,3.073,3.073,3.073,
PSR,H43B,1,3.073,3.073,3.073,
PSR,H4A,1,0.941,0.941,0.941,
PSR,H4B,1,0.941,0.941,0.941,
PSR,H4C,1,0.941,0.941,0.941,
PSU,C1',6,81.8,83.656,82.821,0.737
PSU,C2',5,74.85,75.76,75.306,0.397
PSU,C3',5,73.2,75.99,74.180,1.088
PSU,C4',4,79.69,82,80.858,1.147
PSU,C5',1,63.254,63.254,63.254,
PSU,C6,11,136.976,142.687,140.202,1.485
PSU,H1,9,10.253,11.596,10.826,0.347
PSU,H1',17,4.35,10.493,5.196,1.437
PSU,H2',14,3.898,4.566,4.338,0.191
PSU,H3,7,10.317,14.26,12.096,1.687
PSU,H3',16,4.153,12.171,5.324,2.520
PSU,H4',9,4.073,4.46,4.239,0.109
PSU,H5',14,3.948,4.564,4.192,0.217
PSU,H5'',12,3.827,4.156,3.970,0.108
PSU,H6,15,6.819,7.753,7.278,0.348
PSU,HN3,1,10.55,10.55,10.550,
PSU,HO2',2,4.14,4.41,4.275,0.191
PSU,N1,1,135.345,135.345,135.345,
PSU,N3,2,159.868,160.324,160.096,0.322
PSU,P,1,-3.69,-3.69,-3.690,
PTDINS3P,C1,1,65.48,65.48,65.480,
PTDINS3P,C1',1,78.48,78.48,78.480,
PTDINS3P,C10,1,20.71,20.71,20.710,
PTDINS3P,C11,1,15.55,15.55,15.550,
PTDINS3P,C2,1,73.66,73.66,73.660,
PTDINS3P,C2',1,73.71,73.71,73.710,
PTDINS3P,C3,1,66.65,66.65,66.650,
PTDINS3P,C3',1,76.47,76.47,76.470,
PTDINS3P,C4',1,75.15,75.15,75.150,
PTDINS3P,C5,1,38.59,38.59,38.590,
PTDINS3P,C5',1,77.43,77.43,77.430,
PTDINS3P,C6,1,20.71,20.71,20.710,
PTDINS3P,C6',1,74.03,74.03,74.030,
PTDINS3P,C7,1,15.55,15.55,15.550,
PTDINS3P,C9,1,38.45,38.45,38.450,
PTDINS3P,H1',1,4.10,4.10,4.100,
PTDINS3P,H102,1,1.64,1.64,1.640,
PTDINS3P,H103,1,1.64,1.64,1.640,
PTDINS3P,H111,1,0.94,0.94,0.940,
PTDINS3P,H112,1,0.94,0.94,0.940,
PTDINS3P,H113,1,0.94,0.94,0.940,
PTDINS3P,H12,1,4.46,4.46,4.460,
PTDINS3P,H13,1,4.32,4.32,4.320,
PTDINS3P,H2,1,5.36,5.36,5.360,
PTDINS3P,H2',1,4.43,4.43,4.430,
PTDINS3P,H3',1,4.21,4.21,4.210,
PTDINS3P,H32,1,4.13,4.13,4.130,
PTDINS3P,H33,1,4.13,4.13,4.130,
PTDINS3P,H4',1,4.02,4.02,4.020,
PTDINS3P,H5',1,3.26,3.26,3.260,
PTDINS3P,H52,1,2.43,2.43,2.430,
PTDINS3P,H53,1,2.43,2.43,2.430,
PTDINS3P,H6',1,3.80,3.80,3.800,
PTDINS3P,H62,1,1.64,1.64,1.640,
PTDINS3P,H63,1,1.64,1.64,1.640,
PTDINS3P,H71,1,0.94,0.94,0.940,
PTDINS3P,H72,1,0.94,0.94,0.940,
PTDINS3P,H73,1,0.94,0.94,0.940,
PTDINS3P,H92,1,2.40,2.40,2.400,
PTDINS3P,H93,1,2.40,2.40,2.400,
PTDINS3P,P1,1,-2.17,-2.17,-2.170,
PTDINS3P,P2,1,-1.78,-1.78,-1.780,
PTR,C,9,174.988,179.207,176.071,1.215
PTR,CA,12,53.0715,63.308,58.015,2.253
PTR,CB,13,36.998,48.726,39.765,2.876
PTR,CD1,6,121.837,132.992,130.886,4.448
PTR,CD2,4,132.1600,132.992,132.781,0.414
PTR,CE1,7,117.9100,124.10,120.057,2.608
PTR,CE2,4,117.9100,118.143,118.068,0.107
PTR,H,22,7.370,9.060,8.138,0.423
PTR,HA,18,3.96,5.1700,4.526,0.323
PTR,HB2,18,2.463,3.123,2.942,0.180
PTR,HB3,18,2.531,3.564,2.985,0.247
PTR,HD1,19,6.0900,7.505,7.022,0.337
PTR,HD2,15,6.0900,7.448,7.039,0.324
PTR,HE1,17,5.8600,7.234,6.858,0.315
PTR,HE2,15,5.8600,7.234,6.851,0.333
PTR,N,14,105.719,123.4900,119.842,4.598
PZD,H10A,1,7.45,7.45,7.450,
PZD,H11A,1,7.47,7.47,7.470,
PZD,H12A,1,7.79,7.79,7.790,
PZD,H13A,1,7.8,7.8,7.800,
PZD,H14A,1,7.85,7.85,7.850,
PZD,H15A,1,8.2,8.2,8.200,
PZD,H16A,1,7.6,7.6,7.600,
PZD,H17A,1,8.05,8.05,8.050,
PZD,H18A,1,3.99,3.99,3.990,
PZD,H19A,1,4.03,4.03,4.030,
PZD,H1A,1,4.13,4.13,4.130,
PZD,H20A,1,5.84,5.84,5.840,
PZD,H21A,1,8.3,8.3,8.300,
PZD,H4A,1,3.98,3.98,3.980,
PZD,H5A,1,3.84,3.84,3.840,
PZD,H8A,1,7.17,7.17,7.170,
PZD,H9A,1,6.6,6.6,6.600,
QUA,C10,4,129.8,130.0,129.900,0.082
QUA,C11,4,163.5,163.7,163.600,0.082
QUA,C13,4,67.2,67.3,67.225,0.050
QUA,C14,4,25.6,25.8,25.700,0.082
QUA,C3,4,125.0,125.1,125.025,0.050
QUA,C4,4,156.3,156.4,156.350,0.058
QUA,C5,4,126.0,126.1,126.050,0.058
QUA,C6,4,132.6,132.8,132.700,0.082
QUA,C7,4,61.8,62.3,62.100,0.216
QUA,C8,4,69.8,70.2,69.950,0.173
QUA,C9,4,157.2,157.3,157.225,0.050
QUA,H13,4,5.33,5.37,5.343,0.019
QUA,H141,4,1.36,1.40,1.388,0.019
QUA,H142,4,1.36,1.40,1.388,0.019
QUA,H143,4,1.36,1.40,1.388,0.019
QUA,HC3,4,7.29,7.34,7.310,0.024
QUA,HC5,4,6.89,6.94,6.908,0.022
QUA,HC6,4,6.36,6.38,6.365,0.010
QUA,HC71,4,3.61,3.65,3.623,0.019
QUA,HC8,4,4.53,4.64,4.600,0.048
QUI,H1',1,4.093,4.093,4.093,
QUI,H10,1,6.703,6.703,6.703,
QUI,H11,1,7.590,7.590,7.590,
QUI,H2,1,7.276,7.276,7.276,
QUI,H2',1,3.462,3.462,3.462,
QUI,H3,1,7.217,7.217,7.217,
QUI,H4,1,6.948,6.948,6.948,
QUI,H4',1,3.244,3.244,3.244,
QUI,H5,1,7.599,7.599,7.599,
QUI,H5',1,1.236,1.236,1.236,
QUI,H8,1,7.000,7.000,7.000,
QUI,H9,1,7.053,7.053,7.053,
RBD,H1',1,5.814,5.814,5.814,
RBD,H2,1,7.272,7.272,7.272,
RBD,H2',1,2.368,2.368,2.368,
RBD,H2'',1,2.623,2.623,2.623,
RBD,H3',1,4.981,4.981,4.981,
RBD,H5',1,4.133,4.133,4.133,
RBD,H5'',1,4.198,4.198,4.198,
RBD,H8,1,8.040,8.040,8.040,
RBD,HA1,1,3.949,3.949,3.949,
RBD,HA2,1,3.880,3.880,3.880,
RBD,HB,1,4.319,4.319,4.319,
RBD,HD1,1,3.723,3.723,3.723,
RBD,HD2,1,3.637,3.637,3.637,
RBD,HG,1,4.292,4.292,4.292,
RMP,H1',4,5.87,6.29,6.055,0.177
RMP,H2,3,7.21,7.67,7.420,0.233
RMP,H2',4,2.66,2.90,2.765,0.105
RMP,H2'',4,2.41,2.75,2.605,0.150
RMP,H3',4,4.65,5.39,5.150,0.337
RMP,H4',4,4.21,4.55,4.453,0.162
RMP,H8,4,8.04,8.28,8.150,0.100
RMP,P,4,35.55,36.10,35.848,0.230
RTL,1H15,1,2.99,2.99,2.990,
RTL,1H16,1,1.13,1.13,1.130,
RTL,1H17,1,1.13,1.13,1.130,
RTL,1H18,1,1.71,1.71,1.710,
RTL,1H19,1,2.06,2.06,2.060,
RTL,1H2,1,4.07,4.07,4.070,
RTL,1H20,1,0.91,0.91,0.910,
RTL,2H15,1,2.17,2.17,2.170,
RTL,2H16,1,1.13,1.13,1.130,
RTL,2H17,1,1.13,1.13,1.130,
RTL,2H18,1,1.71,1.71,1.710,
RTL,2H19,1,2.06,2.06,2.060,
RTL,2H2,1,4.07,4.07,4.070,
RTL,2H20,1,0.91,0.91,0.910,
RTL,3H16,1,1.13,1.13,1.130,
RTL,3H17,1,1.13,1.13,1.130,
RTL,3H18,1,1.71,1.71,1.710,
RTL,3H19,1,2.06,2.06,2.060,
RTL,3H20,1,0.91,0.91,0.910,
RTL,C16,1,29.1,29.1,29.100,
RTL,C17,1,30.3,30.3,30.300,
RTL,C18,1,22.6,22.6,22.600,
RTL,C19,1,14.4,14.4,14.400,
RTL,C4,1,35.6,35.6,35.600,
RTL,C8,1,135.7,135.7,135.700,
RTL,H10,3,6.05,6.09,6.070,0.020
RTL,H11,3,6.33,6.69,6.567,0.205
RTL,H12,3,6.40,6.56,6.457,0.090
RTL,H14,3,5.25,5.73,5.413,0.274
RTL,H151,2,3.00,3.56,3.280,0.396
RTL,H152,2,2.17,2.95,2.560,0.552
RTL,H16,1,1.09,1.09,1.090,
RTL,H161,1,1.15,1.15,1.150,
RTL,H162,1,1.15,1.15,1.150,
RTL,H163,1,1.15,1.15,1.150,
RTL,H17,1,1.08,1.08,1.080,
RTL,H171,1,1.12,1.12,1.120,
RTL,H172,1,1.12,1.12,1.120,
RTL,H173,1,1.12,1.12,1.120,
RTL,H18,1,1.58,1.58,1.580,
RTL,H181,1,1.72,1.72,1.720,
RTL,H182,1,1.72,1.72,1.720,
RTL,H183,1,1.72,1.72,1.720,
RTL,H19,1,1.99,1.99,1.990,
RTL,H191,1,2.07,2.07,2.070,
RTL,H192,1,2.07,2.07,2.070,
RTL,H193,1,2.07,2.07,2.070,
RTL,H20,1,0.40,0.40,0.400,
RTL,H201,1,0.91,0.91,0.910,
RTL,H202,1,0.91,0.91,0.910,
RTL,H203,1,0.91,0.91,0.910,
RTL,H21,2,1.49,1.65,1.570,0.113
RTL,H22,2,1.65,1.73,1.690,0.057
RTL,H31,2,1.85,2.07,1.960,0.156
RTL,H32,2,1.72,1.85,1.785,0.092
RTL,H41,2,2.10,2.40,2.250,0.212
RTL,H42,2,2.01,2.10,2.055,0.064
RTL,H7,3,6.62,6.67,6.640,0.026
RTL,H8,3,6.32,6.39,6.363,0.038
RuTDpy,H1,2,8.87,9.00,8.935,0.092
RuTDpy,H10,2,8.84,9.07,8.955,0.163
RuTDpy,H11,2,6.46,6.52,6.490,0.042
RuTDpy,H12,2,6.31,6.39,6.350,0.057
RuTDpy,H13,2,8.43,8.50,8.465,0.049
RuTDpy,H14,2,7.99,8.27,8.130,0.198
RuTDpy,H15,2,6.83,6.99,6.910,0.113
RuTDpy,H16,2,8.61,8.75,8.680,0.099
RuTDpy,H17,2,8.02,8.18,8.100,0.113
RuTDpy,H18,2,6.89,6.92,6.905,0.021
RuTDpy,H19,2,8.66,8.69,8.675,0.021
RuTDpy,H20,2,7.42,7.77,7.595,0.247
RuTDpy,H21,2,7.04,7.08,7.060,0.028
RuTDpy,H22,2,7.46,7.73,7.595,0.191
RuTDpy,H25,2,9.73,9.80,9.765,0.049
SAC,H,3,8.31,9.54,8.768,0.672
SAC,H3,1,1.84,1.84,1.840,
SAC,HA,3,4.363,4.43,4.398,0.034
SAC,HB2,3,3.845,4.33,4.015,0.273
SAC,HB3,1,3.83,3.83,3.830,
SAH,H1',1,6.13,6.13,6.130,
SAH,H2,1,8.22,8.22,8.220,
SAH,H2'',1,4.92,4.92,4.920,
SAH,H3'',1,4.48,4.48,4.480,
SAH,H8,1,8.42,8.42,8.420,
SAH,HA,1,2.77,2.77,2.770,
SAH,HB2,1,2.19,2.19,2.190,
SAH,HB3,1,2.13,2.13,2.130,
SAH,HE2,1,3.86,3.86,3.860,
SAH,HG1,1,3.10,3.10,3.100,
SAH,HG2,1,2.76,2.76,2.760,
SAR,HA2,1,3.582,3.582,3.582,
SAR,HA3,1,3.582,3.582,3.582,
SAR,HN1,1,4.232,4.232,4.232,
SAR,HN2,1,4.232,4.232,4.232,
SAR,HN3,1,4.232,4.232,4.232,
SDE,H1',1,5.845,5.845,5.845,
SDE,H2,1,7.301,7.301,7.301,
SDE,H2',1,2.377,2.377,2.377,
SDE,H2'',1,2.617,2.617,2.617,
SDE,H3',1,4.998,4.998,4.998,
SDE,H4',1,4.138,4.138,4.138,
SDE,H5',1,4.215,4.215,4.215,
SDE,H8,1,8.047,8.047,8.047,
SDE,HA1,1,4.139,4.139,4.139,
SDE,HA2,1,3.663,3.663,3.663,
SDE,HB,1,4.358,4.358,4.358,
SDE,HD1,1,3.698,3.698,3.698,
SDE,HD2,1,3.619,3.619,3.619,
SDE,HG,1,4.254,4.254,4.254,
SEA,H,3,8.272,8.289,8.283,0.010
SEA,HA,3,6.800,6.802,6.801,0.001
SEA,HB2,3,5.485,5.516,5.497,0.017
SEA,HB3,1,5.242,5.242,5.242,
SEC,H,6,8.223,9.135,8.652,0.390
SEC,HA,6,4.471,4.856,4.686,0.131
SEC,HB2,6,3.682,4.080,3.871,0.161
SEC,HB3,6,3.212,3.590,3.385,0.174
SEP,C,2,174.78,175.617,175.199,0.592
SEP,CA,10,55.718,63.701,58.129,3.073
SEP,CB,11,64.085,67.073,65.290,0.920
SEP,H,32,7.178,10.049,8.741,0.488
SEP,HA,28,4.285,4.833,4.544,0.150
SEP,HB2,26,3.641,4.181,4.033,0.132
SEP,HB3,26,3.601,4.20,4.014,0.137
SEP,N,13,113.00,121.206,117.740,2.678
SET,H,4,8.45,8.6,8.518,0.062
SET,HA,4,4.26,4.415,4.371,0.074
SET,HB2,4,3.83,3.92,3.864,0.039
SET,HB3,4,3.83,3.97,3.888,0.062
SHO,H28A,1,3.72,3.72,3.720,
SHO,H28B,1,3.34,3.34,3.340,
SHO,H2A,1,2.56,2.56,2.560,
SHO,H2B,1,2.56,2.56,2.560,
SHO,H30A,1,0.86,0.86,0.860,
SHO,H30B,1,0.86,0.86,0.860,
SHO,H30C,1,0.86,0.86,0.860,
SHO,H31A,1,0.86,0.86,0.860,
SHO,H31B,1,0.86,0.86,0.860,
SHO,H31C,1,0.86,0.86,0.860,
SHO,H32A,1,4.00,4.00,4.000,
SHO,H36A,1,8.04,8.04,8.040,
SHO,H37A,1,3.39,3.39,3.390,
SHO,H37B,1,3.55,3.55,3.550,
SHO,H38A,1,2.43,2.43,2.430,
SHO,H38B,1,2.43,2.43,2.430,
SHO,H3A,1,3.96,3.96,3.960,
SHO,H41A,1,8.24,8.24,8.240,
SHO,H42A,1,3.27,3.27,3.270,
SHO,H42B,1,3.27,3.27,3.270,
SHO,H43A,1,2.90,2.90,2.900,
SHO,H43B,1,2.90,2.90,2.900,
SHO,H4A,1,1.05,1.05,1.050,
SHO,H4B,1,1.05,1.05,1.050,
SHO,H5A,1,0.89,0.89,0.890,
SHO,H5B,1,0.89,0.89,0.890,
SHO,H6A,1,0.60,0.60,0.600,
SHO,H6B,1,0.60,0.60,0.600,
SHO,H7A,1,0.76,0.76,0.760,
SHO,H7B,1,0.76,0.76,0.760,
SHO,H8A,1,0.56,0.56,0.560,
SHO,H8B,1,0.56,0.56,0.560,
SHO,H8C,1,0.56,0.56,0.560,
SIN,H,1,9.70,9.70,9.700,
SIN,H21,2,2.59,2.59,2.590,0.000
SIN,H31,1,7.59,7.59,7.590,
SIN,H32,1,6.82,6.82,6.820,
SIN,HA,2,2.66,2.68,2.670,0.014
SMC,C,7,173.8558,177.1198,175.657,1.266
SMC,CA,6,55.3048,56.0698,55.509,0.312
SMC,CB,6,36.7898,37.2488,36.943,0.187
SMC,H,7,7.728,8.499,8.173,0.233
SMC,HA,7,4.362,4.541,4.445,0.056
SMC,HB2,7,2.802,2.911,2.861,0.050
SMC,HB3,7,2.802,2.911,2.861,0.050
SMC,N,7,120.911,123.881,121.751,1.015
SME,H,1,8.54,8.54,8.540,
SME,HA,1,4.42,4.42,4.420,
SME,HB2,1,2.08,2.08,2.080,
SME,HB3,1,2.00,2.00,2.000,
SME,HG2,1,2.79,2.79,2.790,
SME,HG3,1,2.79,2.79,2.790,
SNC,H,1,7.48,7.48,7.480,
SNC,N,1,112.33,112.33,112.330,
SOD,H28A,1,3.74,3.74,3.740,
SOD,H28B,1,3.3,3.3,3.300,
SOD,H2A,1,6.63,6.63,6.630,
SOD,H30A,1,0.87,0.87,0.870,
SOD,H30B,1,0.87,0.87,0.870,
SOD,H30C,1,0.87,0.87,0.870,
SOD,H31A,1,0.87,0.87,0.870,
SOD,H31B,1,0.87,0.87,0.870,
SOD,H31C,1,0.87,0.87,0.870,
SOD,H32A,1,4.04,4.04,4.040,
SOD,H36A,1,8.07,8.07,8.070,
SOD,H37A,1,3.39,3.39,3.390,
SOD,H37B,1,3.6,3.6,3.600,
SOD,H38A,1,2.46,2.46,2.460,
SOD,H38B,1,2.46,2.46,2.460,
SOD,H3A,1,6.02,6.02,6.020,
SOD,H41A,1,8.24,8.24,8.240,
SOD,H42A,1,3.11,3.11,3.110,
SOD,H42B,1,3.29,3.29,3.290,
SOD,H43A,1,2.84,2.84,2.840,
SOD,H43B,1,2.95,2.95,2.950,
SOD,H4A,1,1.76,1.76,1.760,
SOD,H4B,1,1.58,1.58,1.580,
SOD,H5A,1,1.02,1.02,1.020,
SOD,H5B,1,0.79,0.79,0.790,
SOD,H6A,1,0.75,0.75,0.750,
SOD,H6B,1,0.81,0.81,0.810,
SOD,H7A,1,0.96,0.96,0.960,
SOD,H7B,1,0.96,0.96,0.960,
SOD,H8A,1,0.63,0.63,0.630,
SOD,H8B,1,0.63,0.63,0.630,
SOD,H8C,1,0.63,0.63,0.630,
SP8a,C1,2,70.612,70.663,70.638,0.036
SP8a,C2,1,29.424,29.424,29.424,
SP8a,C3,1,40.327,40.327,40.327,
SP8a,H11,2,3.963,4.019,3.991,0.040
SP8a,H12,2,3.684,3.711,3.698,0.019
SP8a,H21,1,1.948,1.948,1.948,
SP8a,H22,1,1.948,1.948,1.948,
SP8a,H31,1,3.077,3.077,3.077,
SP8a,H32,1,3.077,3.077,3.077,
S_Ppt,S-HA,1,4.34,4.34,4.340,
S_Ppt,S-HB2,1,4.22,4.22,4.220,
S_Ppt,S-HB3,1,4.17,4.17,4.170,
S_Ppt,S-NH,1,8.69,8.69,8.690,
SRA,C,1,176.928,176.928,176.928,
SRA,CA,1,60.151,60.151,60.151,
SRA,CB,1,66.350,66.350,66.350,
SRA,H1,1,8.977,8.977,8.977,
SRA,HA,1,4.378,4.378,4.378,
SRA,HB2,1,4.199,4.199,4.199,
SRA,HB3,1,4.235,4.235,4.235,
SRA,N,1,113.458,113.458,113.458,
SSU,C1',1,91.81,91.81,91.810,
SSU,C5,1,102.9,102.9,102.900,
SSU,C6,1,140.80,140.80,140.800,
SSU,H1',1,5.639,5.639,5.639,
SSU,H2',1,4.302,4.302,4.302,
SSU,H3',1,4.39,4.39,4.390,
SSU,H4',1,4.35,4.35,4.350,
SSU,H5,1,5.639,5.639,5.639,
SSU,H6,1,7.781,7.781,7.781,
SSU,P,1,59.15,59.15,59.150,
STE,H181,1,0.738,0.738,0.738,
STE,H21,1,2.566,2.566,2.566,
STE,H31,1,1.525,1.525,1.525,
STE,H41,1,1.163,1.163,1.163,
STE,H51,1,1.085,1.085,1.085,
STL,H10,1,7.461,7.461,7.461,
STL,H11,1,6.873,6.873,6.873,
STL,H13,1,6.889,6.889,6.889,
STL,H14,1,7.478,7.478,7.478,
STL,H2,1,6.314,6.314,6.314,
STL,H4,1,6.600,6.600,6.600,
STL,H6,1,6.600,6.600,6.600,
STL,H7,1,6.926,6.926,6.926,
STL,H8,1,7.111,7.111,7.111,
SXA,H28A,1,3.453,3.453,3.453,
SXA,H28B,1,3.899,3.899,3.899,
SXA,H2A,1,2.439,2.439,2.439,
SXA,H2B,1,2.439,2.439,2.439,
SXA,H2C,1,2.439,2.439,2.439,
SXA,H30A,1,0.942,0.942,0.942,
SXA,H30B,1,0.942,0.942,0.942,
SXA,H30C,1,0.942,0.942,0.942,
SXA,H31A,1,1.068,1.068,1.068,
SXA,H31B,1,1.068,1.068,1.068,
SXA,H31C,1,1.068,1.068,1.068,
SXA,H32A,1,4.119,4.119,4.119,
SXA,H36A,1,8.112,8.112,8.112,
SXA,H37A,1,3.583,3.583,3.583,
SXA,H37B,1,3.583,3.583,3.583,
SXA,H38A,1,2.564,2.564,2.564,
SXA,H38B,1,2.564,2.564,2.564,
SXA,H41A,1,8.294,8.294,8.294,
SXA,H42A,1,3.448,3.448,3.448,
SXA,H42B,1,3.448,3.448,3.448,
SXA,H43A,1,3.085,3.085,3.085,
SXA,H43B,1,3.085,3.085,3.085,
SXD,H1A,1,2.847,2.847,2.847,
SXD,H1B,1,2.847,2.847,2.847,
SXD,H28A,1,3.464,3.464,3.464,
SXD,H28B,1,3.907,3.907,3.907,
SXD,H2A,1,3.025,3.025,3.025,
SXD,H2B,1,3.025,3.025,3.025,
SXD,H30A,1,0.939,0.939,0.939,
SXD,H30B,1,0.939,0.939,0.939,
SXD,H30C,1,0.939,0.939,0.939,
SXD,H31A,1,1.077,1.077,1.077,
SXD,H31B,1,1.077,1.077,1.077,
SXD,H31C,1,1.077,1.077,1.077,
SXD,H32A,1,4.119,4.119,4.119,
SXD,H36A,1,8.112,8.112,8.112,
SXD,H37A,1,3.574,3.574,3.574,
SXD,H37B,1,3.632,3.632,3.632,
SXD,H38A,1,2.592,2.592,2.592,
SXD,H38B,1,2.592,2.592,2.592,
SXD,H41A,1,8.267,8.267,8.267,
SXD,H42A,1,3.469,3.469,3.469,
SXD,H42B,1,3.469,3.469,3.469,
SXD,H43A,1,2.762,2.762,2.762,
SXD,H43B,1,2.762,2.762,2.762,
SXD,H4A,1,3.943,3.943,3.943,
SXD,H4B,1,3.943,3.943,3.943,
SXD,H6A,1,2.358,2.358,2.358,
SXD,H6B,1,2.358,2.358,2.358,
SXD,H6C,1,2.358,2.358,2.358,
SXH,H1A,1,2.66,2.66,2.660,
SXH,H1B,1,2.66,2.66,2.660,
SXH,H28A,2,3.43,3.460,3.445,0.021
SXH,H28B,2,3.76,3.868,3.814,0.076
SXH,H2A,2,2.581,2.70,2.641,0.084
SXH,H2B,2,2.581,2.70,2.641,0.084
SXH,H30A,2,0.91,0.979,0.945,0.049
SXH,H30B,2,0.91,0.979,0.945,0.049
SXH,H30C,2,0.91,0.979,0.945,0.049
SXH,H31A,2,0.94,1.040,0.990,0.071
SXH,H31B,2,0.94,1.040,0.990,0.071
SXH,H31C,2,0.94,1.040,0.990,0.071
SXH,H32A,2,4.03,4.127,4.079,0.069
SXH,H36A,2,8.02,8.110,8.065,0.064
SXH,H37A,2,3.46,3.587,3.524,0.090
SXH,H37B,2,3.54,3.587,3.564,0.033
SXH,H38A,2,2.48,2.566,2.523,0.061
SXH,H38B,2,2.48,2.566,2.523,0.061
SXH,H3A,1,1.597,1.597,1.597,
SXH,H3B,1,1.597,1.597,1.597,
SXH,H41A,2,8.16,8.248,8.204,0.062
SXH,H42A,2,3.28,3.407,3.344,0.090
SXH,H42B,2,3.33,3.407,3.369,0.054
SXH,H43A,2,2.60,3.053,2.827,0.320
SXH,H43B,2,2.60,3.053,2.827,0.320
SXH,H4A,2,1.255,2.21,1.733,0.675
SXH,H4B,2,1.255,2.08,1.668,0.583
SXH,H5A,2,0.91,1.255,1.083,0.244
SXH,H5B,2,0.91,1.255,1.083,0.244
SXH,H6A,2,0.67,0.847,0.759,0.125
SXH,H6B,2,0.73,0.847,0.789,0.083
SXH,H6C,1,0.847,0.847,0.847,
SXH,H7A,1,0.73,0.73,0.730,
SXH,H7B,1,0.83,0.83,0.830,
SXH,H8A,1,0.59,0.59,0.590,
SXH,H8B,1,0.59,0.59,0.590,
SXH,H8C,1,0.59,0.59,0.590,
SXM,H28A,1,3.476,3.476,3.476,
SXM,H28B,1,3.905,3.905,3.905,
SXM,H2A,1,3.264,3.264,3.264,
SXM,H2B,1,3.264,3.264,3.264,
SXM,H30A,1,0.930,0.930,0.930,
SXM,H30B,1,0.930,0.930,0.930,
SXM,H30C,1,0.930,0.930,0.930,
SXM,H31A,1,1.068,1.068,1.068,
SXM,H31B,1,1.068,1.068,1.068,
SXM,H31C,1,1.068,1.068,1.068,
SXM,H32A,1,4.110,4.110,4.110,
SXM,H36A,1,8.140,8.140,8.140,
SXM,H37A,1,3.594,3.594,3.594,
SXM,H37B,1,3.594,3.594,3.594,
SXM,H38A,1,2.574,2.574,2.574,
SXM,H38B,1,2.574,2.574,2.574,
SXM,H41A,1,8.327,8.327,8.327,
SXM,H42A,1,3.461,3.461,3.461,
SXM,H42B,1,3.461,3.461,3.461,
SXM,H43A,1,3.138,3.138,3.138,
SXM,H43B,1,3.138,3.138,3.138,
SXO,H28A,2,3.507,3.72,3.614,0.151
SXO,H28B,2,3.39,3.851,3.621,0.326
SXO,H2A,2,2.46,2.509,2.485,0.035
SXO,H2B,2,2.46,2.509,2.485,0.035
SXO,H30A,2,0.86,1.008,0.934,0.105
SXO,H30B,2,0.86,1.008,0.934,0.105
SXO,H30C,2,0.86,1.008,0.934,0.105
SXO,H31A,2,0.88,1.036,0.958,0.110
SXO,H31B,2,0.88,1.036,0.958,0.110
SXO,H31C,2,0.88,1.036,0.958,0.110
SXO,H32A,2,4.01,4.130,4.070,0.085
SXO,H36A,2,8.03,8.114,8.072,0.059
SXO,H37A,2,3.41,3.628,3.519,0.154
SXO,H37B,2,3.54,3.561,3.551,0.015
SXO,H38A,2,2.45,2.575,2.513,0.088
SXO,H38B,2,2.45,2.575,2.513,0.088
SXO,H3A,2,1.22,1.506,1.363,0.202
SXO,H3B,2,1.22,1.506,1.363,0.202
SXO,H41A,2,8.18,8.268,8.224,0.062
SXO,H42A,2,3.17,3.401,3.286,0.163
SXO,H42B,2,3.21,3.401,3.306,0.135
SXO,H43A,2,2.83,3.040,2.935,0.148
SXO,H43B,2,2.83,3.040,2.935,0.148
SXO,H4A,2,0.75,1.164,0.957,0.293
SXO,H4B,2,0.75,1.164,0.957,0.293
SXO,H5A,2,0.66,1.164,0.912,0.356
SXO,H5B,2,0.66,1.164,0.912,0.356
SXO,H6A,2,0.66,1.164,0.912,0.356
SXO,H6B,2,0.66,1.164,0.912,0.356
SXO,H7A,2,0.91,1.232,1.071,0.228
SXO,H7B,2,0.91,1.232,1.071,0.228
SXO,H8A,2,0.61,0.839,0.725,0.162
SXO,H8B,2,0.61,0.839,0.725,0.162
SXO,H8C,2,0.61,0.839,0.725,0.162
SXV,H1A,1,2.838,2.838,2.838,
SXV,H1B,1,2.838,2.838,2.838,
SXV,H28A,1,3.464,3.464,3.464,
SXV,H28B,1,3.910,3.910,3.910,
SXV,H2A,1,2.963,2.963,2.963,
SXV,H2B,1,2.963,2.963,2.963,
SXV,H30A,1,0.940,0.940,0.940,
SXV,H30B,1,0.940,0.940,0.940,
SXV,H30C,1,0.940,0.940,0.940,
SXV,H31A,1,1.076,1.076,1.076,
SXV,H31B,1,1.076,1.076,1.076,
SXV,H31C,1,1.076,1.076,1.076,
SXV,H32A,1,4.119,4.119,4.119,
SXV,H36A,1,8.113,8.113,8.113,
SXV,H37A,1,3.569,3.569,3.569,
SXV,H37B,1,3.628,3.628,3.628,
SXV,H38A,1,2.591,2.591,2.591,
SXV,H38B,1,2.591,2.591,2.591,
SXV,H41A,1,8.273,8.273,8.273,
SXV,H42A,1,3.467,3.467,3.467,
SXV,H42B,1,3.467,3.467,3.467,
SXV,H43A,1,2.766,2.766,2.766,
SXV,H43B,1,2.766,2.766,2.766,
SXV,H4A,1,2.301,2.301,2.301,
SXV,H4B,1,2.301,2.301,2.301,
SXV,H4C,1,2.301,2.301,2.301,
SYO,H1A,1,2.66,2.66,2.660,
SYO,H1B,1,2.66,2.66,2.660,
SYO,H28A,1,3.43,3.43,3.430,
SYO,H28B,1,3.76,3.76,3.760,
SYO,H2A,1,2.70,2.70,2.700,
SYO,H2B,1,2.70,2.70,2.700,
SYO,H30A,1,0.91,0.91,0.910,
SYO,H30B,1,0.91,0.91,0.910,
SYO,H30C,1,0.91,0.91,0.910,
SYO,H31A,1,0.94,0.94,0.940,
SYO,H31B,1,0.94,0.94,0.940,
SYO,H31C,1,0.94,0.94,0.940,
SYO,H32A,1,4.03,4.03,4.030,
SYO,H36A,1,8.02,8.02,8.020,
SYO,H37A,1,3.46,3.46,3.460,
SYO,H37B,1,3.54,3.54,3.540,
SYO,H38A,1,2.48,2.48,2.480,
SYO,H38B,1,2.48,2.48,2.480,
SYO,H41A,1,8.16,8.16,8.160,
SYO,H42A,1,3.28,3.28,3.280,
SYO,H42B,1,3.33,3.33,3.330,
SYO,H43A,1,2.60,2.60,2.600,
SYO,H43B,1,2.60,2.60,2.600,
SYO,H4A,1,2.21,2.21,2.210,
SYO,H4B,1,2.08,2.08,2.080,
SYO,H5A,1,0.91,0.91,0.910,
SYO,H5B,1,0.91,0.91,0.910,
SYO,H6A,1,0.67,0.67,0.670,
SYO,H6B,1,0.73,0.73,0.730,
SYO,H7A,1,0.73,0.73,0.730,
SYO,H7B,1,0.83,0.83,0.830,
SYO,H8A,1,0.59,0.59,0.590,
SYO,H8B,1,0.59,0.59,0.590,
SYO,H8C,1,0.59,0.59,0.590,
T23,HA,1,3.647,3.647,3.647,
T23,HB1,1,2.106,2.106,2.106,
T23,HB2,1,1.734,1.734,1.734,
T23,HD1,1,1.695,1.695,1.695,
T23,HE1,1,3.418,3.418,3.418,
T23,HE2,1,2.936,2.936,2.936,
T23,HG1,1,1.869,1.869,1.869,
T23,HG2,1,1.503,1.503,1.503,
T23,HZ1,1,2.620,2.620,2.620,
T23,HZ2,1,2.620,2.620,2.620,
T23,HZ3,1,2.620,2.620,2.620,
T39,H1',4,5.871,5.940,5.906,0.040
T39,H2',2,4.225,4.252,4.239,0.019
T39,H3,4,13.484,13.900,13.692,0.240
T39,H3',4,4.400,4.505,4.453,0.061
T39,H6,4,7.310,7.849,7.580,0.311
T39,H7,2,4.225,4.252,4.239,0.019
T39,H7*,4,1.078,1.476,1.277,0.230
T39,HCA*,2,4.188,4.188,4.188,0.000
T3P,H1',1,6.342,6.342,6.342,
T3P,H2',1,3.090,3.090,3.090,
T3P,H2'',1,2.094,2.094,2.094,
T3P,H3,1,13.29,13.29,13.290,
T3P,H3',1,5.096,5.096,5.096,
T3P,H4',1,4.821,4.821,4.821,
T3P,H5',1,4.100,4.100,4.100,
T3P,H5'',1,3.945,3.945,3.945,
T3P,H51,1,1.295,1.295,1.295,
T3P,H52,1,1.295,1.295,1.295,
T3P,H53,1,1.295,1.295,1.295,
T3P,H6,1,7.403,7.403,7.403,
T3P,P,1,-1.92,-1.92,-1.920,
TA3,H1',1,5.31,5.31,5.310,
TA3,H2',1,2.08,2.08,2.080,
TA3,H2'',1,2.18,2.18,2.180,
TA3,H3',1,4.75,4.75,4.750,
TA3,H4',1,3.99,3.99,3.990,
TA3,H6,1,4.75,4.75,4.750,
TA3,H71,1,1.78,1.78,1.780,
TA3,H72,1,1.78,1.78,1.780,
TA3,H73,1,1.78,1.78,1.780,
TAF,H1',1,6.004,6.004,6.004,
TAF,H2',1,5.428,5.428,5.428,
TAF,H3,1,14.128,14.128,14.128,
TAF,H3',1,4.691,4.691,4.691,
TAF,H4',1,4.342,4.342,4.342,
TAF,H5',1,4.085,4.085,4.085,
TAF,H5'',1,4.262,4.262,4.262,
TAF,H6,1,6.902,6.902,6.902,
TAF,H71,1,1.292,1.292,1.292,
TAF,H72,1,1.292,1.292,1.292,
TAF,H73,1,1.292,1.292,1.292,
TAL,C1',1,86.1,86.1,86.100,
TAL,C1A,1,63.4,63.4,63.400,
TAL,C3',1,74.8,74.8,74.800,
TAL,C3A,1,124.4,124.4,124.400,
TAL,C6,1,134.9,134.9,134.900,
TAL,C7A,1,51.8,51.8,51.800,
TAL,H1',1,5.76,5.76,5.760,
TAL,H1A,1,4.75,4.75,4.750,
TAL,H1B,1,5.12,5.12,5.120,
TAL,H2',1,1.94,1.94,1.940,
TAL,H2'',1,2.77,2.77,2.770,
TAL,H3,1,13.95,13.95,13.950,
TAL,H3',1,4.79,4.79,4.790,
TAL,H3A,1,8.32,8.32,8.320,
TAL,H4',1,4.17,4.17,4.170,
TAL,H6,1,7.00,7.00,7.000,
TAL,H7,1,1.63,1.63,1.630,
TAL,H7A,1,4.68,4.68,4.680,
TAL,H7B,1,5.00,5.00,5.000,
TEE,CA,1,132.158,132.158,132.158,
TEE,CB,1,157.063,157.063,157.063,
TEE,HA,1,6.964,6.964,6.964,
TEE,HB2,1,5.725,5.725,5.725,
TEE,HN1,1,8.570,8.570,8.570,
THY,H1',1,6.152,6.152,6.152,
THY,H2',2,2.115,2.226,2.171,0.078
THY,H2'',2,2.468,2.528,2.498,0.042
THY,H3,2,13.445,13.883,13.664,0.310
THY,H3',1,4.888,4.888,4.888,
THY,H6,2,7.248,7.542,7.395,0.208
THY,H71,2,1.248,1.755,1.502,0.359
THY,H72,2,1.248,1.755,1.502,0.359
THY,H73,2,1.248,1.755,1.502,0.359
TME,H11,1,1.16,1.16,1.160,
TME,H12,1,1.16,1.16,1.160,
TME,H13,1,1.16,1.16,1.160,
TME,H21,1,2.53,2.53,2.530,
TME,H22,1,2.68,2.68,2.680,
TME,H31,1,1.53,1.53,1.530,
TME,H32,1,1.53,1.53,1.530,
TME,H33,1,1.83,1.83,1.830,
TMQ,H,1,15.47,15.47,15.470,
TMQ,H2',1,5.19,5.19,5.190,
TMQ,H3',1,3.37,3.37,3.370,
TMQ,H4',1,3.78,3.78,3.780,
TMQ,H5,1,2.65,2.65,2.650,
TMQ,H5',1,3.96,3.96,3.960,
TMQ,H6',1,6.37,6.37,6.370,
TMQ,H7,1,7.38,7.38,7.380,
TMQ,H8,1,7.06,7.06,7.060,
TMQ,H91,1,4.11,4.11,4.110,
TMQ,H92,1,4.48,4.48,4.480,
TMQ,HN10,1,5.99,5.99,5.990,
TMQ,HN21,1,9.53,9.53,9.530,
TMQ,HN22,1,5.76,5.76,5.760,
TMQ,HN41,1,9.52,9.52,9.520,
TMQ,HN42,1,7.88,7.88,7.880,
TOP,1H14,1,3.680,3.680,3.680,
TOP,1H20,1,3.533,3.533,3.533,
TOP,1H9,1,3.055,3.055,3.055,
TOP,1HN4,1,10.490,10.490,10.490,
TOP,1HN7,1,9.160,9.160,9.160,
TOP,2H14,1,3.680,3.680,3.680,
TOP,2H20,1,3.533,3.533,3.533,
TOP,2H9,1,3.463,3.463,3.463,
TOP,2HN4,1,5.750,5.750,5.750,
TOP,2HN7,1,7.100,7.100,7.100,
TOP,3H14,1,3.680,3.680,3.680,
TOP,3H20,1,3.533,3.533,3.533,
TOP,AH1*,1,7.15,7.15,7.150,
TOP,AH2,1,7.99,7.99,7.990,
TOP,AH2*,1,4.064,4.064,4.064,
TOP,AH3*,1,4.143,4.143,4.143,
TOP,AH4*,1,4.577,4.577,4.577,
TOP,AH51,1,4.405,4.405,4.405,
TOP,AH52,1,4.65,4.65,4.650,
TOP,AH61,1,9.403,9.403,9.403,
TOP,AH8,1,8.302,8.302,8.302,
TOP,H1,1,6.253,6.253,6.253,
TOP,H11,1,6.545,6.545,6.545,
TOP,H2,1,14.250,14.250,14.250,
TOP,H21,1,4.972,4.972,4.972,
TOP,NH1*,1,4.719,4.719,4.719,
TOP,NH2,1,7.514,7.514,7.514,
TOP,NH3*,1,3.896,3.896,3.896,
TOP,NH4*,1,4.082,4.082,4.082,
TOP,NH5,1,5.67,5.67,5.670,
TOP,NH51,1,4.075,4.075,4.075,
TOP,NH52,1,3.132,3.132,3.132,
TOP,NH6,1,6.468,6.468,6.468,
TOP,NH71,1,7.198,7.198,7.198,
TOP,NH72,1,8.52,8.52,8.520,
TPL,CA,1,56.2,56.2,56.200,
TPL,CB1,1,29.5,29.5,29.500,
TPL,CD1,1,126.0,126.0,126.000,
TPL,CD2,1,130.5,130.5,130.500,
TPL,CE2,1,139.1,139.1,139.100,
TPL,CE3,1,120.5,120.5,120.500,
TPL,CG,1,113.7,113.7,113.700,
TPL,CH2,1,123.7,123.7,123.700,
TPL,CZ2,1,114.4,114.4,114.400,
TPL,CZ3,1,121.1,121.1,121.100,
TPL,H,1,7.57,7.57,7.570,
TPL,H2,1,3.69,3.69,3.690,
TPL,HA,1,4.24,4.24,4.240,
TPL,HB1,1,2.94,2.94,2.940,
TPL,HB2,1,2.83,2.83,2.830,
TPL,HD1,1,7.26,7.26,7.260,
TPL,HE1,1,10.47,10.47,10.470,
TPL,HE3,1,7.44,7.44,7.440,
TPL,HH2,1,7.04,7.04,7.040,
TPL,HZ2,1,7.43,7.43,7.430,
TPL,HZ3,1,6.93,6.93,6.930,
TPL_2,C1,2,29.212,64.601,46.907,25.024
TPL_2,C4,1,28.608,28.608,28.608,
TPL_2,C5,3,18.898,20.656,19.497,1.004
TPL_2,H11,2,2.097,4.328,3.213,1.578
TPL_2,H12,2,1.988,4.243,3.116,1.595
TPL_2,H2,3,5.009,5.654,5.242,0.358
TPL_2,H41,3,1.591,1.891,1.691,0.173
TPL_2,H42,2,1.538,1.591,1.565,0.037
TPL_2,H51,3,1.517,1.606,1.553,0.047
TPL_2,H52,3,1.517,1.606,1.553,0.047
TPL_2,H53,3,1.517,1.606,1.553,0.047
TPLi,H11,3,2.030,4.294,2.790,1.303
TPLi,H12,3,1.961,4.234,2.722,1.309
TPLi,H2,3,5.074,5.276,5.151,0.109
TPLi,H41,2,1.584,1.650,1.617,0.047
TPLi,H42,2,1.570,1.584,1.577,0.010
TPLi,H51,1,1.227,1.227,1.227,
TPLi,H52,1,1.227,1.227,1.227,
TPLi,H53,1,1.227,1.227,1.227,
TPO,C,4,173.451,174.158,173.814,0.397
TPO,CA,7,59.907,63.630,61.209,1.606
TPO,CB,9,71.186,81.929,74.154,3.709
TPO,CG2,5,20.504,26.461,22.287,2.379
TPO,H,13,8.183,9.837,8.844,0.581
TPO,HA,6,4.14,5.028,4.493,0.320
TPO,HB,8,3.906,4.49,4.259,0.217
TPO,HG2,3,1.157,1.403,1.304,0.130
TPO,HG21,5,0.812,1.418,1.248,0.246
TPO,HG22,5,0.812,1.418,1.248,0.246
TPO,HG23,5,0.812,1.418,1.248,0.246
TPO,N,9,103.219,132.719,121.766,7.916
TRM,H,1,8.41,8.41,8.410,
TRM,HA,1,4.402,4.402,4.402,
TRM,HB2,1,3.097,3.097,3.097,
TRM,HB3,1,3.101,3.101,3.101,
TRM,HD1,1,7.04,7.04,7.040,
TRM,HE3,1,7.285,7.285,7.285,
TRM,HH2,1,6.92,6.92,6.920,
TRM,HM1,1,7.841,7.841,7.841,
TRM,HM2,1,7.841,7.841,7.841,
TRM,HM3,1,7.841,7.841,7.841,
TRM,HZ2,1,7.266,7.266,7.266,
TRM,HZ3,1,6.864,6.864,6.864,
TRR,H1,1,14.850,14.850,14.850,
TRR,H12,1,5.886,5.886,5.886,
TRR,H16,1,5.886,5.886,5.886,
TRR,H171,1,3.899,3.899,3.899,
TRR,H172,1,3.899,3.899,3.899,
TRR,H173,1,3.899,3.899,3.899,
TRR,H181,1,3.849,3.849,3.849,
TRR,H182,1,3.849,3.849,3.849,
TRR,H183,1,3.849,3.849,3.849,
TRR,H191,1,3.448,3.448,3.448,
TRR,H192,1,3.448,3.448,3.448,
TRR,H193,1,3.448,3.448,3.448,
TRR,H21,1,10.460,10.460,10.460,
TRR,H22,1,5.900,5.900,5.900,
TRR,H41,1,9.180,9.180,9.180,
TRR,H42,1,7.180,7.180,7.180,
TRR,H6,1,6.520,6.520,6.520,
TRR,H71,1,3.220,3.220,3.220,
TRR,H72,1,3.740,3.740,3.740,
TS9,C,4,168.7,169.7,169.100,0.455
TS9,CA,4,56.0,57.6,56.475,0.754
TS9,CB,4,79.2,80.3,80.025,0.550
TS9,CD1,4,18.9,19.3,19.050,0.191
TS9,CG1,4,70.4,72.0,70.850,0.772
TS9,CG2,4,20.4,22.8,21.100,1.149
TS9,H,4,7.63,8.08,7.863,0.251
TS9,HA,4,5.60,5.89,5.765,0.121
TS9,HD11,4,1.28,1.38,1.335,0.041
TS9,HD12,4,1.28,1.38,1.335,0.041
TS9,HD13,4,1.28,1.38,1.335,0.041
TS9,HG1,4,3.83,3.90,3.860,0.029
TS9,HG21,4,1.17,1.24,1.210,0.029
TS9,HG22,4,1.17,1.24,1.210,0.029
TS9,HG23,4,1.17,1.24,1.210,0.029
TS9,N,4,116.9,121.2,119.250,1.771
TSA,H2,1,6.49,6.49,6.490,
TSA,H3,1,5.69,5.69,5.690,
TSA,H4,1,4.37,4.37,4.370,
TSA,H5,1,4.30,4.30,4.300,
TSA,H61,1,1.74,1.74,1.740,
TSA,H62,1,1.93,1.93,1.930,
TSA,H8,1,4.00,4.00,4.000,
TSA,H91,1,1.82,1.82,1.820,
TSA,H92,1,2.41,2.41,2.410,
TSA,HO5,1,6.33,6.33,6.330,
TTD,H1',1,5.30,5.30,5.300,
TTD,H2',1,2.02,2.02,2.020,
TTD,H2'',1,2.02,2.02,2.020,
TTD,H3R,1,4.93,4.93,4.930,
TTD,H4R,1,3.91,3.91,3.910,
TTD,H6,1,4.11,4.11,4.110,
TTD,H71,1,1.44,1.44,1.440,
TTD,H72,1,1.44,1.44,1.440,
TTD,H73,1,1.44,1.44,1.440,
TTD,HT,1,12.93,12.93,12.930,
TTD,P,1,-2.54,-2.54,-2.540,
TUT,HA,1,4.149,4.149,4.149,
TUT,HB1,1,2.930,2.930,2.930,
TUT,HB2,1,2.687,2.687,2.687,
TUT,HE1,1,7.099,7.099,7.099,
TUT,HE2,1,6.720,6.720,6.720,
TUT,HI1,1,2.375,2.375,2.375,
TUT,HM1,1,1.082,1.082,1.082,
TUT,HQ1,1,1.588,1.588,1.588,
TUT,HQ2,1,1.932,1.932,1.932,
TUV,HA,1,4.343,4.343,4.343,
TUV,HB,1,1.853,1.853,1.853,
TUV,HB2,1,8.069,8.069,8.069,
TUV,HD11,1,5.337,5.337,5.337,
TUV,HD12,1,6.130,6.130,6.130,
TUV,HD21,1,2.686,2.686,2.686,
TUV,HD22,1,2.603,2.603,2.603,
TUV,HE2,1,5.823,5.823,5.823,
TUV,HG11,1,0.709,0.709,0.709,
TUV,HG12,1,0.709,0.709,0.709,
TUV,HG13,1,0.709,0.709,0.709,
TUV,HG21,1,1.027,1.027,1.027,
TUV,HG22,1,1.027,1.027,1.027,
TUV,HG23,1,1.027,1.027,1.027,
TUV,HK11,1,2.089,2.089,2.089,
TUV,HK12,1,2.006,2.006,2.006,
TUV,HL1,1,1.732,1.732,1.732,
TUV,HL21,1,2.168,2.168,2.168,
TUV,HL22,1,2.168,2.168,2.168,
TUV,HL23,1,2.168,2.168,2.168,
TUV,HM1,1,0.682,0.682,0.682,
TUV,HM2,1,0.682,0.682,0.682,
TUV,HM3,1,0.682,0.682,0.682,
TUV,HN1,1,0.715,0.715,0.715,
TUV,HN2,1,0.715,0.715,0.715,
TUV,HN3,1,0.715,0.715,0.715,
TUX,C1G,1,71.67,71.67,71.670,
TUX,C2G,1,41.14,41.14,41.140,
TUX,C3G,1,80.20,80.20,80.200,
TUX,C4G,1,71.48,71.48,71.480,
TUX,C5G,1,83.75,83.75,83.750,
TUX,C6G,1,64.90,64.90,64.900,
TUX,H1G1,1,4.07,4.07,4.070,
TUX,H2A2,1,2.19,2.19,2.190,
TUX,H2A3,1,2.19,2.19,2.190,
TUX,H2G,1,2.16,2.16,2.160,
TUX,H2G2,1,3.30,3.30,3.300,
TUX,H3A2,1,1.43,1.43,1.430,
TUX,H3A3,1,1.43,1.43,1.430,
TUX,H3G,1,4.84,4.84,4.840,
TUX,H42,1,1.30,1.30,1.300,
TUX,H4A3,1,1.30,1.30,1.300,
TUX,H4G,1,3.25,3.25,3.250,
TUX,H5A2,1,1.18,1.18,1.180,
TUX,H5A3,1,1.18,1.18,1.180,
TUX,H5G,1,3.40,3.40,3.400,
TUX,H6A2,1,1.10,1.10,1.100,
TUX,H6A3,1,1.10,1.10,1.100,
TUX,H6G1,1,4.09,4.09,4.090,
TUX,H6G2,1,3.44,3.44,3.440,
TUX,H7A2,1,1.10,1.10,1.100,
TUX,H7A3,1,1.10,1.10,1.100,
TUX,H8A2,1,1.10,1.10,1.100,
TUX,H8A3,1,1.10,1.10,1.100,
TUX,H9A2,1,1.10,1.10,1.100,
TUX,H9A3,1,1.10,1.10,1.100,
TUX,HAA2,1,1.10,1.10,1.100,
TUX,HAA3,1,1.10,1.10,1.100,
TUX,HBA2,1,1.10,1.10,1.100,
TUX,HBA3,1,1.10,1.10,1.100,
TUX,HCA2,1,0.88,0.88,0.880,
TUX,HCA3,1,0.88,0.88,0.880,
TUX,HDA2,1,1.10,1.10,1.100,
TUX,HDA3,1,1.10,1.10,1.100,
TUX,HEA1,1,0.64,0.64,0.640,
TUX,HEA2,1,0.64,0.64,0.640,
TUX,HEA3,1,0.64,0.64,0.640,
TUX,HZH2,1,2.41,2.41,2.410,
TUX,HZH3,1,2.76,2.76,2.760,
TYC,H,1,8,8,8.000,
TYC,HA,2,4.57,4.61,4.590,0.028
TYC,HB1,2,3.09,3.14,3.115,0.035
TYC,HB2,2,2.82,2.92,2.870,0.071
TYC,HD1,2,7.13,7.15,7.140,0.014
TYC,HD2,2,7.13,7.15,7.140,0.014
TYC,HE1,2,6.8,6.85,6.825,0.035
TYC,HE2,2,6.8,6.85,6.825,0.035
TYC,HT21,2,7.42,7.49,7.455,0.049
TYC,HT22,2,7.42,8.03,7.725,0.431
TYS,C,8,176.058,176.081,176.064,0.011
TYS,CA,8,58.165,58.793,58.573,0.258
TYS,CB,8,39.311,39.925,39.537,0.271
TYS,CD1,8,133.085,133.603,133.344,0.196
TYS,CE1,8,124.281,124.799,124.540,0.196
TYS,H,15,7.747,8.965,8.167,0.249
TYS,HA,15,4.426,4.791,4.615,0.109
TYS,HB2,15,2.86,3.452,3.074,0.150
TYS,HB3,15,2.712,3.219,3.069,0.169
TYS,HD1,15,6.617,7.827,7.220,0.241
TYS,HD2,15,6.617,7.827,7.220,0.241
TYS,HE1,15,6.900,7.463,7.231,0.119
TYS,HE2,15,6.900,7.463,7.231,0.119
TYS,N,8,120.283,123.118,120.992,1.312
TYU,H1',1,5.912,5.912,5.912,
TYU,H2',1,4.291,4.291,4.291,
TYU,H3',1,4.279,4.279,4.279,
TYU,H4',1,4.269,4.269,4.269,
TYU,H5,1,5.610,5.610,5.610,
TYU,H5',1,3.634,3.634,3.634,
TYU,H5'',1,3.624,3.624,3.624,
TYU,H6,1,7.669,7.669,7.669,
TYU,HA,1,4.652,4.652,4.652,
TYU,HB2,1,3.066,3.066,3.066,
TYU,HB3,1,2.972,2.972,2.972,
TYU,HD1,1,7.139,7.139,7.139,
TYU,HD2,1,7.134,7.134,7.134,
TYU,HE1,1,7.064,7.064,7.064,
TYU,HE2,1,7.014,7.014,7.014,
TYU,HN,1,8.533,8.533,8.533,
TYU,HO2',1,6.680,6.680,6.680,
UAR,H1',2,5.712,5.851,5.782,0.098
UAR,H2',2,4.409,4.437,4.423,0.020
UAR,H3,2,13.839,14.029,13.934,0.134
UAR,H4',2,4.021,4.143,4.082,0.086
UAR,H5,2,5.123,5.419,5.271,0.209
UAR,H6,2,7.171,7.321,7.246,0.106
UDP,C1',2,91.4,91.4,91.400,0.000
UDP,C2',2,76.2,76.2,76.200,0.000
UDP,C3',2,72.5,72.5,72.500,0.000
UDP,C4',2,86.0,86.0,86.000,0.000
UDP,C5,2,105.5,105.5,105.500,0.000
UDP,C5',2,67.8,67.8,67.800,0.000
UDP,C6,2,144.2,144.2,144.200,0.000
UDP,H1',2,5.98,5.98,5.980,0.000
UDP,H2',2,4.37,4.37,4.370,0.000
UDP,H3',2,4.36,4.36,4.360,0.000
UDP,H4',2,4.28,4.28,4.280,0.000
UDP,H5,2,5.97,5.97,5.970,0.000
UDP,H5',2,4.19,4.19,4.190,0.000
UDP,H5'',2,4.19,4.19,4.190,0.000
UDP,H6,2,7.96,7.96,7.960,0.000
UFT,H1',1,5.984,5.984,5.984,
UFT,H2',1,5.237,5.237,5.237,
UFT,H4',1,4.487,4.487,4.487,
UFT,H5,1,5.389,5.389,5.389,
UFT,H6,1,7.523,7.523,7.523,
UFT,HN3,1,13.818,13.818,13.818,
UPV,H1',1,5.632,5.632,5.632,
UPV,H2',1,4.523,4.523,4.523,
UPV,H3',1,4.589,4.589,4.589,
UPV,H4',1,4.26,4.26,4.260,
UPV,H5,1,5.353,5.353,5.353,
UPV,H5',1,3.997,3.997,3.997,
UPV,H5'A,1,4.465,4.465,4.465,
UPV,H6,1,7.791,7.791,7.791,
UPV,HA,1,5.424,5.424,5.424,
UPV,HAA,1,5.655,5.655,5.655,
UPV,HD1B,1,1.206,1.206,1.206,
UPV,HN3,1,13.124,13.124,13.124,
UQ1,C1,1,135.534,135.534,135.534,
UQ1,C10,1,20.609,20.609,20.609,
UQ1,C11,1,43.400,43.400,43.400,
UQ1,C12,1,30.300,30.300,30.300,
UQ1,C15,1,20.700,20.700,20.700,
UQ1,C16,1,43.000,43.000,43.000,
UQ1,C17,1,29.800,29.800,29.800,
UQ1,C1M,1,15.859,15.859,15.859,
UQ1,C2,1,154.709,154.709,154.709,
UQ1,C20,1,20.200,20.200,20.200,
UQ1,C21,1,42.600,42.600,42.600,
UQ1,C22,1,29.300,29.300,29.300,
UQ1,C25,1,19.700,19.700,19.700,
UQ1,C26,1,42.200,42.200,42.200,
UQ1,C27,1,28.800,28.800,28.800,
UQ1,C3,1,142.410,142.410,142.410,
UQ1,C30,1,19.200,19.200,19.200,
UQ1,C31,1,41.800,41.800,41.800,
UQ1,C32,1,28.300,28.300,28.300,
UQ1,C35,1,18.700,18.700,18.700,
UQ1,C36,1,41.400,41.400,41.400,
UQ1,C37,1,27.800,27.800,27.800,
UQ1,C38,1,124.750,124.750,124.750,
UQ1,C39,1,136.254,136.254,136.254,
UQ1,C3M,1,63.804,63.804,63.804,
UQ1,C4,1,142.410,142.410,142.410,
UQ1,C40,1,18.200,18.200,18.200,
UQ1,C41,1,41.517,41.517,41.517,
UQ1,C42,1,28.260,28.260,28.260,
UQ1,C43,1,126.157,126.157,126.157,
UQ1,C44,1,135.212,135.212,135.212,
UQ1,C45,1,17.920,17.920,17.920,
UQ1,C46,1,28.177,28.177,28.177,
UQ1,C4M,1,63.804,63.804,63.804,
UQ1,C5,1,154.709,154.709,154.709,
UQ1,C6,1,127.427,127.427,127.427,
UQ1,C7,1,26.580,26.580,26.580,
UQ1,C8,1,123.680,123.680,123.680,
UQ1,C9,1,140.100,140.100,140.100,
UQ8,C1,1,135.534,135.534,135.534,
UQ8,C10,1,20.609,20.609,20.609,
UQ8,C11,1,43.400,43.400,43.400,
UQ8,C12,1,30.300,30.300,30.300,
UQ8,C15,1,20.700,20.700,20.700,
UQ8,C16,1,43.000,43.000,43.000,
UQ8,C17,1,29.800,29.800,29.800,
UQ8,C1M,1,15.859,15.859,15.859,
UQ8,C2,1,154.709,154.709,154.709,
UQ8,C20,1,20.200,20.200,20.200,
UQ8,C21,1,42.600,42.600,42.600,
UQ8,C22,1,29.300,29.300,29.300,
UQ8,C25,1,19.700,19.700,19.700,
UQ8,C26,1,42.200,42.200,42.200,
UQ8,C27,1,28.800,28.800,28.800,
UQ8,C3,1,142.410,142.410,142.410,
UQ8,C30,1,19.200,19.200,19.200,
UQ8,C31,1,41.800,41.800,41.800,
UQ8,C32,1,28.300,28.300,28.300,
UQ8,C35,1,18.700,18.700,18.700,
UQ8,C36,1,41.400,41.400,41.400,
UQ8,C37,1,27.800,27.800,27.800,
UQ8,C38,1,124.750,124.750,124.750,
UQ8,C39,1,136.254,136.254,136.254,
UQ8,C3M,1,63.804,63.804,63.804,
UQ8,C4,1,142.410,142.410,142.410,
UQ8,C40,1,18.200,18.200,18.200,
UQ8,C41,1,41.517,41.517,41.517,
UQ8,C42,1,28.260,28.260,28.260,
UQ8,C43,1,126.157,126.157,126.157,
UQ8,C44,1,135.212,135.212,135.212,
UQ8,C45,1,17.920,17.920,17.920,
UQ8,C46,1,28.177,28.177,28.177,
UQ8,C4M,1,63.804,63.804,63.804,
UQ8,C5,1,154.709,154.709,154.709,
UQ8,C6,1,127.427,127.427,127.427,
UQ8,C7,1,26.580,26.580,26.580,
UQ8,C8,1,123.680,123.680,123.680,
UQ8,C9,1,140.100,140.100,140.100,
UVR,BT,3,2.125,2.33,2.256,0.114
UVR,H,6,7.263,8.355,7.839,0.420
UVR,HA,15,3.523,5.674,4.389,0.663
UVR,HB,1,2.34,2.34,2.340,
UVR,HB1,2,1.632,1.885,1.759,0.179
UVR,HB2,12,1.3,2.872,1.640,0.421
UVR,HB3,12,1.3,2.872,1.640,0.421
UVR,HD1,1,7.059,7.059,7.059,
UVR,HD11,3,0.733,0.871,0.804,0.069
UVR,HD12,3,0.733,0.871,0.804,0.069
UVR,HD13,3,0.733,0.871,0.804,0.069
UVR,HD2,4,0.928,1.202,1.055,0.146
UVR,HD21,3,0.733,0.894,0.833,0.087
UVR,HD22,3,0.733,0.894,0.833,0.087
UVR,HD23,3,0.733,0.894,0.833,0.087
UVR,HD3,4,0.928,1.202,1.055,0.146
UVR,HE1,1,10.869,10.869,10.869,
UVR,HE2,3,1.107,1.412,1.303,0.170
UVR,HE3,4,1.107,7.574,2.871,3.138
UVR,HF2,2,2.359,2.364,2.362,0.004
UVR,HF3,2,2.359,2.364,2.362,0.004
UVR,HG,4,1.222,1.594,1.477,0.173
UVR,HG2,4,1.073,1.209,1.147,0.063
UVR,HG3,4,1.073,1.209,1.147,0.063
UVR,HN,6,7.475,8.661,7.987,0.523
UVR,HT,1,7.84,7.84,7.840,
UVR,HT4,1,7.582,7.582,7.582,
UVR,HT5,1,7.691,7.691,7.691,
UVR,HY2,3,2.368,2.393,2.384,0.014
UVR,HY3,3,2.368,2.393,2.384,0.014
UVR,HZ1,3,0.881,0.908,0.895,0.014
UVR,HZ2,4,0.881,7.311,2.499,3.208
UVR,HZ3,3,0.881,0.908,0.895,0.014
WW7,H111,1,2.88,2.88,2.880,
WW7,H112,1,2.88,2.88,2.880,
WW7,H121,1,1.49,1.49,1.490,
WW7,H122,1,1.49,1.49,1.490,
WW7,H131,1,1.11,1.11,1.110,
WW7,H132,1,1.11,1.11,1.110,
WW7,H141,1,1.11,1.11,1.110,
WW7,H142,1,1.11,1.11,1.110,
WW7,H151,1,1.32,1.32,1.320,
WW7,H152,1,1.32,1.32,1.320,
WW7,H161,1,2.78,2.78,2.780,
WW7,H162,1,2.78,2.78,2.780,
WW7,H2,1,8.14,8.14,8.140,
WW7,H3,1,7.39,7.39,7.390,
WW7,H4,1,8.20,8.20,8.200,
WW7,H6,1,7.41,7.41,7.410,
WW7,H7,1,7.41,7.41,7.410,
WW7,H8,1,8.58,8.58,8.580,
X,C1,1,80.767,80.767,80.767,
X,C2,1,56.209,56.209,56.209,
X,C3,1,77.867,77.867,77.867,
X,C4,1,59.698,59.698,59.698,
X,C5,1,75.838,75.838,75.838,
X,C6,1,19.506,19.506,19.506,
X,C8,1,25.128,25.128,25.128,
X,C9,1,24.944,24.944,24.944,
X,H1,1,5.027,5.027,5.027,
X,H2,1,3.844,3.844,3.844,
X,H3,1,3.828,3.828,3.828,
X,H4,1,3.740,3.740,3.740,
X,H5,1,3.463,3.463,3.463,
X,H6,1,1.034,1.034,1.034,
X,H8,1,1.960,1.960,1.960,
X,H9,1,1.891,1.891,1.891,
X,HA1,1,4.294,4.294,4.294,
X,HA2,2,3.996,4.294,4.145,0.211
X,HA3,1,3.973,3.973,3.973,
X,HB2,2,3.431,3.603,3.517,0.122
X,HB3,2,3.077,3.431,3.254,0.250
X,HD2,2,1.575,1.678,1.627,0.073
X,HD3,2,1.575,1.678,1.627,0.073
X,HE2,2,2.971,3.011,2.991,0.028
X,HE3,2,2.971,3.011,2.991,0.028
X,HG2,2,1.574,1.684,1.629,0.078
X,HG3,2,1.574,1.684,1.629,0.078
X,HN2,1,8.207,8.207,8.207,
X,HN4,1,8.204,8.204,8.204,
ZNH,HAB,1,7.8800,7.8800,7.880,
ZNH,HAC,1,8.4900,8.4900,8.490,
ZNH,HBC1,1,6.0000,6.0000,6.000,
ZNH,HHA,1,10.0000,10.0000,10.000,
ZNH,HHC,1,9.7800,9.7800,9.780,
ZNH,HHD,1,9.7700,9.7700,9.770,
ZNH,HMC1,1,2.9600,2.9600,2.960,
ZNH,HMC3,1,2.9600,2.9600,2.960,
ZNH,HMD1,1,3.1100,3.1100,3.110,
ZNH,HMD2,1,3.1100,3.1100,3.110,
ZNH,HMD3,1,3.1100,3.1100,3.110,