data_17838 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of C2B with IP6 ; _BMRB_accession_number 17838 _BMRB_flat_file_name bmr17838.str _Entry_type original _Submission_date 2011-08-08 _Accession_date 2011-08-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'C2B-IP6 COMPLEX' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Joung Meng-je . . 2 Mohan Sepuru K. . 3 Yu Chin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 915 "13C chemical shifts" 597 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-20 update BMRB 'update entry citation' 2012-04-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Molecular level interaction of inositol hexaphosphate with the C2B domain of human synaptotagmin I.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22475172 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Joung Meng-Je . . 2 Mohan Sepuru K. . 3 Yu Chin . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 51 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3675 _Page_last 3683 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Molecular Level Interaction of the Human Synaptotagmin I C2B domain with Inositol Hexaphosphate' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C2B domain' $entity_1 IHP $IHP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 17224.221 _Mol_thiol_state present _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 152 _Mol_residue_sequence ; QEKLGDICFSLRYVPTAGKL TVVILEAKNLKKMDVGGLSD PYVKIHLMQNGKRLKKKKTT IKKNTLNPYYNESFSFEVPF EQIQKVQVVVTVLDYDKIGK NDAIGKVFVGYNSTGAELRH WSDMLANPRRPIAQWHTLQV EEEVDAMLAVKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 270 GLN 2 271 GLU 3 272 LYS 4 273 LEU 5 274 GLY 6 275 ASP 7 276 ILE 8 277 CYS 9 278 PHE 10 279 SER 11 280 LEU 12 281 ARG 13 282 TYR 14 283 VAL 15 284 PRO 16 285 THR 17 286 ALA 18 287 GLY 19 288 LYS 20 289 LEU 21 290 THR 22 291 VAL 23 292 VAL 24 293 ILE 25 294 LEU 26 295 GLU 27 296 ALA 28 297 LYS 29 298 ASN 30 299 LEU 31 300 LYS 32 301 LYS 33 302 MET 34 303 ASP 35 304 VAL 36 305 GLY 37 306 GLY 38 307 LEU 39 308 SER 40 309 ASP 41 310 PRO 42 311 TYR 43 312 VAL 44 313 LYS 45 314 ILE 46 315 HIS 47 316 LEU 48 317 MET 49 318 GLN 50 319 ASN 51 320 GLY 52 321 LYS 53 322 ARG 54 323 LEU 55 324 LYS 56 325 LYS 57 326 LYS 58 327 LYS 59 328 THR 60 329 THR 61 330 ILE 62 331 LYS 63 332 LYS 64 333 ASN 65 334 THR 66 335 LEU 67 336 ASN 68 337 PRO 69 338 TYR 70 339 TYR 71 340 ASN 72 341 GLU 73 342 SER 74 343 PHE 75 344 SER 76 345 PHE 77 346 GLU 78 347 VAL 79 348 PRO 80 349 PHE 81 350 GLU 82 351 GLN 83 352 ILE 84 353 GLN 85 354 LYS 86 355 VAL 87 356 GLN 88 357 VAL 89 358 VAL 90 359 VAL 91 360 THR 92 361 VAL 93 362 LEU 94 363 ASP 95 364 TYR 96 365 ASP 97 366 LYS 98 367 ILE 99 368 GLY 100 369 LYS 101 370 ASN 102 371 ASP 103 372 ALA 104 373 ILE 105 374 GLY 106 375 LYS 107 376 VAL 108 377 PHE 109 378 VAL 110 379 GLY 111 380 TYR 112 381 ASN 113 382 SER 114 383 THR 115 384 GLY 116 385 ALA 117 386 GLU 118 387 LEU 119 388 ARG 120 389 HIS 121 390 TRP 122 391 SER 123 392 ASP 124 393 MET 125 394 LEU 126 395 ALA 127 396 ASN 128 397 PRO 129 398 ARG 130 399 ARG 131 400 PRO 132 401 ILE 133 402 ALA 134 403 GLN 135 404 TRP 136 405 HIS 137 406 THR 138 407 LEU 139 408 GLN 140 409 VAL 141 410 GLU 142 411 GLU 143 412 GLU 144 413 VAL 145 414 ASP 146 415 ALA 147 416 MET 148 417 LEU 149 418 ALA 150 419 VAL 151 420 LYS 152 421 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1K5W "Three-Dimensional Structure Of The Synaptotagmin 1 C2b- Domain: Synaptotagmin 1 As A Phospholipid Binding Machine" 100.00 152 100.00 100.00 3.47e-107 PDB 1TJM "Crystallographic Identification Of Sr2+ Coordination Site In Synaptotagmin I C2b Domain" 99.34 159 100.00 100.00 3.87e-106 PDB 1TJX "Crystallographic Identification Of Ca2+ Coordination Sites In Synaptotagmin I C2b Domain" 99.34 159 100.00 100.00 3.87e-106 PDB 1UOV "Calcium Binding Domain C2b" 99.34 159 100.00 100.00 3.87e-106 PDB 1UOW "Calcium Binding Domain C2b" 99.34 159 100.00 100.00 3.87e-106 PDB 2LHA "Solution Structure Of C2b With Ip6" 99.34 151 100.00 100.00 2.68e-106 PDB 2N1T "Dynamic Binding Mode Of A Synaptotagmin-1-snare Complex In Solution" 97.37 156 100.00 100.00 2.89e-104 PDB 2YOA "Synaptotagmin-1 C2b Domain With Phosphoserine" 99.34 152 100.00 100.00 2.51e-106 PDB 4V11 "Structure Of Synaptotagmin-1 With Sv2a Peptide Phosphorylated At Thr84" 98.68 150 100.00 100.00 1.73e-105 GB ABA86948 "synaptotagmin I [Felis catus]" 75.66 169 100.00 100.00 2.78e-75 GB ELW70523 "Synaptotagmin-1 [Tupaia chinensis]" 100.00 178 100.00 100.00 6.91e-107 GB EPY85161 "synaptotagmin-1-like protein [Camelus ferus]" 74.34 114 100.00 100.00 6.77e-77 GB ETE67808 "Synaptotagmin-1 [Ophiophagus hannah]" 69.08 105 99.05 99.05 4.03e-69 GB KFO26676 "Synaptotagmin-1 [Fukomys damarensis]" 74.34 131 100.00 100.00 8.51e-77 REF XP_005955385 "PREDICTED: synaptotagmin-1 [Pantholops hodgsonii]" 100.00 207 100.00 100.00 4.63e-107 REF XP_007441326 "PREDICTED: synaptotagmin-1-like, partial [Python bivittatus]" 73.68 112 99.11 99.11 6.07e-75 REF XP_008933885 "PREDICTED: synaptotagmin-1, partial [Merops nubicus]" 100.00 152 99.34 99.34 4.06e-106 REF XP_009505833 "PREDICTED: synaptotagmin-1 [Phalacrocorax carbo]" 100.00 174 98.68 99.34 3.78e-106 REF XP_009699931 "PREDICTED: synaptotagmin-1-like, partial [Cariama cristata]" 73.68 112 98.21 99.11 9.69e-75 stop_ save_ ############# # Ligands # ############# save_IHP _Saveframe_category ligand _Mol_type non-polymer _Name_common "IHP (INOSITOL HEXAKISPHOSPHATE)" _BMRB_code . _PDB_code IHP _Molecular_mass 660.035 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 25 15:45:02 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O11 O11 O . 0 . ? P1 P1 P . 0 . ? O21 O21 O . 0 . ? O31 O31 O . 0 . ? O41 O41 O . 0 . ? O12 O12 O . 0 . ? P2 P2 P . 0 . ? O22 O22 O . 0 . ? O32 O32 O . 0 . ? O42 O42 O . 0 . ? O13 O13 O . 0 . ? P3 P3 P . 0 . ? O23 O23 O . 0 . ? O33 O33 O . 0 . ? O43 O43 O . 0 . ? O14 O14 O . 0 . ? P4 P4 P . 0 . ? O24 O24 O . 0 . ? O34 O34 O . 0 . ? O44 O44 O . 0 . ? O15 O15 O . 0 . ? P5 P5 P . 0 . ? O25 O25 O . 0 . ? O35 O35 O . 0 . ? O45 O45 O . 0 . ? O16 O16 O . 0 . ? P6 P6 P . 0 . ? O26 O26 O . 0 . ? O36 O36 O . 0 . ? O46 O46 O . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H31 H31 H . 0 . ? H41 H41 H . 0 . ? H32 H32 H . 0 . ? H42 H42 H . 0 . ? H33 H33 H . 0 . ? H43 H43 H . 0 . ? H34 H34 H . 0 . ? H44 H44 H . 0 . ? H35 H35 H . 0 . ? H45 H45 H . 0 . ? H36 H36 H . 0 . ? H46 H46 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C1 C6 ? ? SING C1 O11 ? ? SING C1 H1 ? ? SING C2 C3 ? ? SING C2 O12 ? ? SING C2 H2 ? ? SING C3 C4 ? ? SING C3 O13 ? ? SING C3 H3 ? ? SING C4 C5 ? ? SING C4 O14 ? ? SING C4 H4 ? ? SING C5 C6 ? ? SING C5 O15 ? ? SING C5 H5 ? ? SING C6 O16 ? ? SING C6 H6 ? ? SING O11 P1 ? ? DOUB P1 O21 ? ? SING P1 O31 ? ? SING P1 O41 ? ? SING O31 H31 ? ? SING O41 H41 ? ? SING O12 P2 ? ? DOUB P2 O22 ? ? SING P2 O32 ? ? SING P2 O42 ? ? SING O32 H32 ? ? SING O42 H42 ? ? SING O13 P3 ? ? DOUB P3 O23 ? ? SING P3 O33 ? ? SING P3 O43 ? ? SING O33 H33 ? ? SING O43 H43 ? ? SING O14 P4 ? ? DOUB P4 O24 ? ? SING P4 O34 ? ? SING P4 O44 ? ? SING O34 H34 ? ? SING O44 H44 ? ? SING O15 P5 ? ? DOUB P5 O25 ? ? SING P5 O35 ? ? SING P5 O45 ? ? SING O35 H35 ? ? SING O45 H45 ? ? SING O16 P6 ? ? DOUB P6 O26 ? ? SING P6 O36 ? ? SING P6 O46 ? ? SING O36 H36 ? ? SING O46 H46 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens BL21(DE3) stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . BL21(DE3) pGEX4T1 $IHP 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'C2B (13C & 15N labeled) with unlabeled IP6' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-100% 13C; U-100% 15N]' $IHP 1.1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' MES 20 mM 'natural abundance' DTT 2 mM 'natural abundance' 'Calcium Chloride' 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model varian _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 'methyl carbon' ppm 0 internal indirect . . . 1 TSP H 1 'methyl protons' ppm 0 external direct . . . 1 'liquid anhydrous ammonia' N 15 nitrogen ppm 0 internal indirect . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'C2B domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 270 1 GLN H H 8.59 0 1 2 270 1 GLN HA H 4.27 0 1 3 270 1 GLN HB2 H 1.97 0 2 4 270 1 GLN HB3 H 1.97 0 2 5 270 1 GLN HG2 H 2.27 0 2 6 270 1 GLN HG3 H 2.27 0 2 7 270 1 GLN C C 175.63 0 1 8 270 1 GLN CA C 55.9 0 1 9 270 1 GLN CB C 29.29 0 1 10 270 1 GLN CG C 33.87 0 1 11 270 1 GLN N N 122.41 0 1 12 271 2 GLU H H 8.28 0 1 13 271 2 GLU HA H 4.14 0 1 14 271 2 GLU HB2 H 1.85 0 2 15 271 2 GLU HB3 H 1.85 0 2 16 271 2 GLU HG2 H 2.14 0 2 17 271 2 GLU HG3 H 2.14 0 2 18 271 2 GLU C C 175.71 0 1 19 271 2 GLU CA C 56.28 0 1 20 271 2 GLU CB C 30.49 0 1 21 271 2 GLU CG C 36 0 1 22 271 2 GLU N N 122.54 0 1 23 272 3 LYS H H 8.47 0 1 24 272 3 LYS HA H 4.19 0 1 25 272 3 LYS HB2 H 1.86 0 2 26 272 3 LYS HB3 H 1.81 0 2 27 272 3 LYS HG2 H 1.4 0 2 28 272 3 LYS HG3 H 1.53 0 2 29 272 3 LYS HD2 H 1.74 0 2 30 272 3 LYS HD3 H 1.74 0 2 31 272 3 LYS HE2 H 3.01 0 2 32 272 3 LYS HE3 H 3.01 0 2 33 272 3 LYS C C 176.41 0 1 34 272 3 LYS CA C 56.16 0 1 35 272 3 LYS CB C 31.95 0 1 36 272 3 LYS CG C 24.87 0 1 37 272 3 LYS CD C 28.83 0 1 38 272 3 LYS CE C 40.22 0 1 39 272 3 LYS N N 123.8 0 1 40 273 4 LEU H H 8.61 0 1 41 273 4 LEU HA H 4.2 0 1 42 273 4 LEU HB2 H 1.28 0 2 43 273 4 LEU HB3 H 1.53 0 2 44 273 4 LEU HG H 1.59 0 1 45 273 4 LEU HD1 H 0.81 0 2 46 273 4 LEU HD2 H 0.81 0 2 47 273 4 LEU C C 175.13 0 1 48 273 4 LEU CA C 55.94 0 1 49 273 4 LEU CB C 43.33 0 1 50 273 4 LEU CG C 26.97 0 1 51 273 4 LEU CD1 C 24.61 0 2 52 273 4 LEU CD2 C 22.87 0 2 53 273 4 LEU N N 125.15 0 1 54 274 5 GLY H H 7.17 0 1 55 274 5 GLY HA2 H 4.41 0 2 56 274 5 GLY HA3 H 3.53 0 . 57 274 5 GLY C C 171.63 0 1 58 274 5 GLY CA C 44.48 0 1 59 274 5 GLY N N 102.38 0 1 60 275 6 ASP H H 8.5 0 1 61 275 6 ASP HA H 5.76 0 1 62 275 6 ASP HB2 H 2.28 0 2 63 275 6 ASP HB3 H 2.76 0 2 64 275 6 ASP C C 174.88 0 1 65 275 6 ASP CA C 53.16 0 1 66 275 6 ASP CB C 45.72 0 1 67 275 6 ASP N N 116.43 0 1 68 276 7 ILE H H 9.93 0 1 69 276 7 ILE HA H 5.22 0 1 70 276 7 ILE HB H 1.46 0 1 71 276 7 ILE HG12 H 1.86 0 2 72 276 7 ILE HG13 H 1.2 0 2 73 276 7 ILE HG2 H 1.02 0 1 74 276 7 ILE HD1 H 0.75 0 1 75 276 7 ILE C C 173.9 0 1 76 276 7 ILE CA C 58.73 0 1 77 276 7 ILE CB C 43.68 0 1 78 276 7 ILE CG1 C 29.48 0 1 79 276 7 ILE CG2 C 16.75 0 1 80 276 7 ILE CD1 C 15.28 0 . 81 276 7 ILE N N 118.64 0 1 82 277 8 CYS H H 8.92 0 1 83 277 8 CYS HA H 4.56 0 1 84 277 8 CYS HB2 H 1.51 0 2 85 277 8 CYS HB3 H -0.36 0 2 86 277 8 CYS C C 173.9 0 1 87 277 8 CYS CA C 56.34 0 1 88 277 8 CYS CB C 25.93 0 1 89 277 8 CYS N N 128.55 0 1 90 278 9 PHE H H 7.65 0 1 91 278 9 PHE HA H 5.33 0 1 92 278 9 PHE HB2 H 3.03 0 2 93 278 9 PHE HB3 H 3.21 0 2 94 278 9 PHE HD1 H 6.76 0 3 95 278 9 PHE HD2 H 6.76 0 3 96 278 9 PHE HE1 H 6.76 0 3 97 278 9 PHE HE2 H 6.76 0 3 98 278 9 PHE HZ H 6.47 0 1 99 278 9 PHE C C 173.18 0 1 100 278 9 PHE CA C 54.72 0 1 101 278 9 PHE CB C 43.08 0 1 102 278 9 PHE N N 121.32 0 1 103 279 10 SER H H 9.92 0 1 104 279 10 SER HA H 5.87 0 1 105 279 10 SER HB2 H 3.58 0 2 106 279 10 SER HB3 H 3.58 0 2 107 279 10 SER C C 172.82 0 1 108 279 10 SER CA C 54.99 0 1 109 279 10 SER CB C 66.26 0 1 110 279 10 SER N N 116.16 0 1 111 280 11 LEU H H 8.27 0 1 112 280 11 LEU HA H 5.1 0 1 113 280 11 LEU HB2 H 1.35 0 2 114 280 11 LEU HB3 H 1.68 0 2 115 280 11 LEU HG H 1.36 0 1 116 280 11 LEU HD1 H 0.56 0 2 117 280 11 LEU HD2 H 0.98 0 2 118 280 11 LEU C C 174.9 0 1 119 280 11 LEU CA C 53.02 0 1 120 280 11 LEU CB C 46.79 0 1 121 280 11 LEU CG C 27.87 0 1 122 280 11 LEU CD1 C 24.38 0 2 123 280 11 LEU CD2 C 23.98 0 2 124 280 11 LEU N N 121.46 0 1 125 281 12 ARG H H 8.24 0 1 126 281 12 ARG HA H 4.74 0 1 127 281 12 ARG HB2 H 1.67 0 2 128 281 12 ARG HB3 H 1.38 0 2 129 281 12 ARG HG2 H 1.04 0 2 130 281 12 ARG HG3 H 1.04 0 2 131 281 12 ARG HD2 H 2.92 0 2 132 281 12 ARG HD3 H 2.81 0 2 133 281 12 ARG C C 173.41 0 1 134 281 12 ARG CA C 54.81 0 1 135 281 12 ARG CB C 34.56 0 1 136 281 12 ARG CG C 27.34 0 1 137 281 12 ARG CD C 43.96 0 1 138 281 12 ARG N N 120.48 0 1 139 282 13 TYR H H 9.37 0 1 140 282 13 TYR HA H 5.49 0 1 141 282 13 TYR HB2 H 3.1 0 2 142 282 13 TYR HB3 H 2.55 0 2 143 282 13 TYR HD1 H 6.93 0 3 144 282 13 TYR HD2 H 6.93 0 3 145 282 13 TYR HE1 H 6.75 0 3 146 282 13 TYR HE2 H 6.75 0 3 147 282 13 TYR C C 174.27 0 1 148 282 13 TYR CA C 56.41 0 1 149 282 13 TYR CB C 39.74 0 1 150 282 13 TYR N N 127.49 0 1 151 283 14 VAL H H 7.48 0 1 152 283 14 VAL HA H 4.24 0 1 153 283 14 VAL HB H 1.91 0 1 154 283 14 VAL HG1 H 0.8 0 2 155 283 14 VAL HG2 H 0.9 0 2 156 283 14 VAL CA C 58.7 0 1 157 283 14 VAL CB C 32.45 0 1 158 283 14 VAL N N 127.66 0 1 159 284 15 PRO HA H 3.78 0 1 160 284 15 PRO HB2 H 1.99 0 2 161 284 15 PRO HB3 H 1.75 0 2 162 284 15 PRO HG2 H 2.1 0 2 163 284 15 PRO HG3 H 2.1 0 2 164 284 15 PRO HD2 H 4.02 0 2 165 284 15 PRO HD3 H 3.61 0 2 166 284 15 PRO C C 178.15 0 1 167 284 15 PRO CA C 65.54 0 1 168 284 15 PRO CB C 32.36 0 1 169 284 15 PRO CG C 26.96 0 1 170 284 15 PRO CD C 51.48 0 1 171 285 16 THR H H 7.69 0 1 172 285 16 THR HA H 3.85 0 1 173 285 16 THR HB H 4.05 0 1 174 285 16 THR HG2 H 1.19 0 1 175 285 16 THR C C 174.88 0 1 176 285 16 THR CA C 64.49 0 1 177 285 16 THR CB C 68.15 0 1 178 285 16 THR CG2 C 22.74 0 . 179 285 16 THR N N 109.04 0 1 180 286 17 ALA H H 6.52 0 1 181 286 17 ALA HA H 4.38 0 1 182 286 17 ALA HB H 1.19 0 1 183 286 17 ALA C C 177.04 0 1 184 286 17 ALA CA C 51.45 0 1 185 286 17 ALA CB C 20.32 0 1 186 286 17 ALA N N 119.76 0 1 187 287 18 GLY H H 7.69 0 1 188 287 18 GLY HA2 H 3.74 0 2 189 287 18 GLY HA3 H 3.74 0 . 190 287 18 GLY C C 173.99 0 1 191 287 18 GLY CA C 47.15 0 1 192 287 18 GLY N N 109.04 0 1 193 288 19 LYS H H 6.63 0 1 194 288 19 LYS HA H 4.89 0 1 195 288 19 LYS HB2 H 1.35 0 2 196 288 19 LYS HB3 H 1.48 0 2 197 288 19 LYS HG2 H 1.2 0 2 198 288 19 LYS HG3 H 1.31 0 2 199 288 19 LYS HD2 H 1.59 0 2 200 288 19 LYS HD3 H 1.59 0 2 201 288 19 LYS HE2 H 2.87 0 2 202 288 19 LYS HE3 H 2.87 0 2 203 288 19 LYS C C 173.91 0 1 204 288 19 LYS CA C 55.1 0 1 205 288 19 LYS CB C 35.52 0 1 206 288 19 LYS CG C 24.39 0 1 207 288 19 LYS CD C 28.76 0 1 208 288 19 LYS N N 117.03 0 1 209 289 20 LEU H H 9.26 0 1 210 289 20 LEU HA H 5.48 0 1 211 289 20 LEU HB2 H 1.37 0 2 212 289 20 LEU HB3 H 2.06 0 2 213 289 20 LEU HG H 1.61 0 1 214 289 20 LEU HD1 H 0.84 0 2 215 289 20 LEU HD2 H 0.75 0 2 216 289 20 LEU C C 174.75 0 1 217 289 20 LEU CA C 53.62 0 1 218 289 20 LEU CB C 45.84 0 1 219 289 20 LEU CG C 28.35 0 1 220 289 20 LEU CD1 C 25 0 2 221 289 20 LEU CD2 C 26.35 0 2 222 289 20 LEU N N 131.97 0 1 223 290 21 THR H H 9.77 0 1 224 290 21 THR HA H 5.26 0 1 225 290 21 THR HB H 3.71 0 1 226 290 21 THR HG2 H 0.91 0 1 227 290 21 THR C C 173.65 0 1 228 290 21 THR CA C 62.07 0 1 229 290 21 THR CB C 70.92 0 1 230 290 21 THR CG2 C 22.43 0 . 231 290 21 THR N N 124.18 0 1 232 291 22 VAL H H 9.51 0 1 233 291 22 VAL HA H 5.01 0 1 234 291 22 VAL HB H 2.05 0 1 235 291 22 VAL HG1 H 0.78 0 2 236 291 22 VAL HG2 H 1.01 0 2 237 291 22 VAL C C 174.51 0 1 238 291 22 VAL CA C 59.97 0 1 239 291 22 VAL CB C 34.9 0 1 240 291 22 VAL CG1 C 20.08 0 2 241 291 22 VAL CG2 C 20.34 0 2 242 291 22 VAL N N 129.97 0 1 243 292 23 VAL H H 8.65 0 1 244 292 23 VAL HA H 4.83 0 1 245 292 23 VAL HB H 2.1 0 1 246 292 23 VAL HG1 H 0.6 0 2 247 292 23 VAL HG2 H 0.8 0 2 248 292 23 VAL C C 177.61 0 1 249 292 23 VAL CA C 60.37 0 1 250 292 23 VAL CB C 32.23 0 1 251 292 23 VAL CG1 C 21.15 0 2 252 292 23 VAL CG2 C 21.15 0 2 253 292 23 VAL N N 125.67 0 1 254 293 24 ILE H H 9.1 0 1 255 293 24 ILE HA H 4.01 0 1 256 293 24 ILE HB H 2.09 0 1 257 293 24 ILE HG12 H 1 0 2 258 293 24 ILE HG13 H 1.75 0 2 259 293 24 ILE HG2 H 0.47 0 1 260 293 24 ILE HD1 H 0.39 0 . 261 293 24 ILE C C 175.14 0 1 262 293 24 ILE CA C 58.56 0 1 263 293 24 ILE CB C 34.58 0 1 264 293 24 ILE CG1 C 25.82 0 1 265 293 24 ILE CG2 C 15.57 0 1 266 293 24 ILE N N 125.63 0 1 267 294 25 LEU H H 8.26 0 1 268 294 25 LEU HA H 4.11 0 1 269 294 25 LEU HB2 H 1.66 0 2 270 294 25 LEU HB3 H 1.43 0 2 271 294 25 LEU HG H 1.66 0 1 272 294 25 LEU HD1 H 0.66 0 2 273 294 25 LEU HD2 H 0.69 0 2 274 294 25 LEU C C 175.25 0 1 275 294 25 LEU CA C 58.21 0 1 276 294 25 LEU CB C 41.47 0 1 277 294 25 LEU CG C 25.97 0 1 278 294 25 LEU CD1 C 26.07 0 2 279 294 25 LEU CD2 C 23.56 0 2 280 294 25 LEU N N 130.57 0 1 281 295 26 GLU H H 7.49 0 1 282 295 26 GLU HA H 5.05 0 1 283 295 26 GLU HB2 H 2.44 0 2 284 295 26 GLU HB3 H 2.44 0 2 285 295 26 GLU HG2 H 1.93 0 2 286 295 26 GLU HG3 H 2.05 0 2 287 295 26 GLU C C 172.25 0 1 288 295 26 GLU CA C 54.97 0 1 289 295 26 GLU CB C 32.99 0 1 290 295 26 GLU CG C 35.23 0 1 291 295 26 GLU N N 111.97 0 1 292 296 27 ALA H H 9.17 0 1 293 296 27 ALA HA H 5.55 0 1 294 296 27 ALA HB H 1.49 0 1 295 296 27 ALA C C 174.56 0 1 296 296 27 ALA CA C 50.78 0 1 297 296 27 ALA CB C 22.69 0 1 298 296 27 ALA N N 121.53 0 1 299 297 28 LYS H H 9.19 0 1 300 297 28 LYS HA H 5.38 0 1 301 297 28 LYS HB2 H 1.71 0 2 302 297 28 LYS HB3 H 1.83 0 2 303 297 28 LYS HG2 H 1.22 0 2 304 297 28 LYS HG3 H 1.22 0 2 305 297 28 LYS HD2 H 1.22 0 2 306 297 28 LYS HD3 H 1.41 0 2 307 297 28 LYS HE2 H 1.79 0 2 308 297 28 LYS HE3 H 2.18 0 2 309 297 28 LYS C C 174.2 0 1 310 297 28 LYS CA C 54.97 0 1 311 297 28 LYS CB C 37.66 0 1 312 297 28 LYS CG C 24.36 0 1 313 297 28 LYS CD C 29.27 0 1 314 297 28 LYS CE C 41.12 0 1 315 297 28 LYS N N 116.69 0 1 316 298 29 ASN H H 8.64 0 1 317 298 29 ASN HA H 4.15 0 1 318 298 29 ASN HB2 H 2.78 0 2 319 298 29 ASN HB3 H 2.78 0 2 320 298 29 ASN HD21 H 6.81 0 2 321 298 29 ASN HD22 H 7.26 0 2 322 298 29 ASN C C 173.85 0 1 323 298 29 ASN CA C 53.6 0 1 324 298 29 ASN CB C 37 0 1 325 298 29 ASN N N 115.54 0 1 326 299 30 LEU H H 8.21 0 1 327 299 30 LEU HA H 4.5 0 1 328 299 30 LEU HB2 H 1.29 0 2 329 299 30 LEU HB3 H 1.6 0 2 330 299 30 LEU HG H 1.8 0 1 331 299 30 LEU HD1 H 0.61 0 2 332 299 30 LEU HD2 H 0.9 0 2 333 299 30 LEU C C 174.75 0 1 334 299 30 LEU CA C 55.01 0 1 335 299 30 LEU CB C 42.82 0 1 336 299 30 LEU CG C 26.75 0 1 337 299 30 LEU CD1 C 26.99 0 2 338 299 30 LEU CD2 C 23.17 0 2 339 299 30 LEU N N 114.36 0 1 340 300 31 LYS H H 6.83 0 1 341 300 31 LYS HA H 3.9 0 1 342 300 31 LYS HB2 H 1.74 0 2 343 300 31 LYS HB3 H 1.57 0 2 344 300 31 LYS HG2 H 1.43 0 2 345 300 31 LYS HG3 H 1.31 0 2 346 300 31 LYS HD2 H 1.6 0 2 347 300 31 LYS HD3 H 1.6 0 2 348 300 31 LYS HE2 H 3.01 0 2 349 300 31 LYS HE3 H 3.01 0 2 350 300 31 LYS C C 175.13 0 1 351 300 31 LYS CA C 56.63 0 1 352 300 31 LYS CB C 35.06 0 1 353 300 31 LYS CG C 24.91 0 1 354 300 31 LYS CD C 30.5 0 1 355 300 31 LYS CE C 42.16 0 1 356 300 31 LYS N N 119.66 0 1 357 301 32 LYS H H 8.06 0 1 358 301 32 LYS HA H 3.76 0 1 359 301 32 LYS HB2 H 1.76 0 2 360 301 32 LYS HB3 H 1.88 0 2 361 301 32 LYS HG2 H 1.25 0 2 362 301 32 LYS HG3 H 1.7 0 2 363 301 32 LYS HD2 H 1.8 0 2 364 301 32 LYS HD3 H 1.8 0 2 365 301 32 LYS HE2 H 3.13 0 2 366 301 32 LYS HE3 H 3.13 0 2 367 301 32 LYS C C 175.59 0 1 368 301 32 LYS CA C 56.9 0 1 369 301 32 LYS CB C 32.99 0 1 370 301 32 LYS CG C 25.6 0 1 371 301 32 LYS CD C 29.33 0 1 372 301 32 LYS CE C 43.18 0 1 373 301 32 LYS N N 124.55 0 1 374 302 33 MET H H 7.97 0 1 375 302 33 MET HA H 4.72 0 1 376 302 33 MET HB2 H 2.6 0 2 377 302 33 MET HB3 H 1.63 0 2 378 302 33 MET HG2 H 2.37 0 2 379 302 33 MET HG3 H 2.19 0 2 380 302 33 MET HE H 1.86 0 . 381 302 33 MET C C 176.51 0 1 382 302 33 MET CA C 53.86 0 1 383 302 33 MET CB C 32.59 0 1 384 302 33 MET CG C 33.02 0 1 385 302 33 MET CE C 16.44 0 1 386 302 33 MET N N 122.79 0 1 387 303 34 ASP H H 8.08 0 1 388 303 34 ASP HA H 5.03 0 1 389 303 34 ASP HB2 H 2.44 0 2 390 303 34 ASP HB3 H 2.63 0 2 391 303 34 ASP CA C 52.81 0 1 392 303 34 ASP CB C 41.95 0 1 393 303 34 ASP N N 124.63 0 1 394 304 35 VAL H H 8.76 0 1 395 304 35 VAL HA H 3.69 0 1 396 304 35 VAL HB H 1.93 0 1 397 304 35 VAL HG1 H 1.04 0 2 398 304 35 VAL HG2 H 0.93 0 2 399 304 35 VAL C C 176.82 0 1 400 304 35 VAL CA C 64.75 0 1 401 304 35 VAL CB C 31.12 0 1 402 304 35 VAL CG2 C 21.31 0 2 403 304 35 VAL N N 125.91 0 1 404 305 36 GLY H H 8.83 0 1 405 305 36 GLY HA2 H 4.01 0 2 406 305 36 GLY HA3 H 3.9 0 . 407 305 36 GLY C C 174.16 0 1 408 305 36 GLY CA C 45.74 0 1 409 305 36 GLY N N 115.56 0 1 410 306 37 GLY H H 7.69 0 1 411 306 37 GLY HA2 H 3.56 0 2 412 306 37 GLY HA3 H 4.26 0 . 413 306 37 GLY C C 173.03 0 1 414 306 37 GLY CA C 45.04 0 1 415 306 37 GLY N N 109.04 0 1 416 307 38 LEU H H 8.41 0 1 417 307 38 LEU HA H 4.58 0 1 418 307 38 LEU HB2 H 1.15 0 2 419 307 38 LEU HB3 H 1.54 0 2 420 307 38 LEU HG H 1.54 0 1 421 307 38 LEU HD1 H 0.77 0 2 422 307 38 LEU HD2 H 0.91 0 2 423 307 38 LEU CA C 53.47 0 1 424 307 38 LEU CB C 42.06 0 1 425 307 38 LEU CG C 26.15 0 1 426 307 38 LEU N N 124.61 0 1 427 308 39 SER H H 7.08 0 1 428 308 39 SER HA H 4.49 0 1 429 308 39 SER HB2 H 3.63 0 2 430 308 39 SER HB3 H 3.63 0 2 431 308 39 SER CA C 57.25 0 1 432 308 39 SER CB C 68.29 0 1 433 308 39 SER N N 115.27 0 1 434 309 40 ASP H H 9.27 0 1 435 309 40 ASP HA H 5.88 0 1 436 309 40 ASP HB2 H 3.6 0 2 437 309 40 ASP HB3 H 2.51 0 2 438 309 40 ASP CA C 52 0 1 439 309 40 ASP CB C 42.35 0 1 440 309 40 ASP N N 121.28 0 1 441 310 41 PRO HA H 5.68 0 1 442 310 41 PRO HB2 H 1.6 0 2 443 310 41 PRO HB3 H 1.81 0 2 444 310 41 PRO HG2 H 1.9 0 2 445 310 41 PRO HG3 H 1.67 0 2 446 310 41 PRO HD3 H 3.42 0 2 447 310 41 PRO C C 179.05 0 1 448 310 41 PRO CA C 62.97 0 1 449 310 41 PRO CB C 32.94 0 1 450 310 41 PRO CG C 28.59 0 1 451 311 42 TYR H H 9.13 0 1 452 311 42 TYR HA H 4.74 0 1 453 311 42 TYR HB2 H 2.58 0 2 454 311 42 TYR HB3 H 2.93 0 2 455 311 42 TYR HD2 H 6.84 0 3 456 311 42 TYR C C 170.78 0 1 457 311 42 TYR CA C 55.64 0 1 458 311 42 TYR CB C 41.95 0 1 459 311 42 TYR N N 122.86 0 1 460 312 43 VAL H H 8.57 0 1 461 312 43 VAL HA H 4.84 0 1 462 312 43 VAL HB H 1.51 0 1 463 312 43 VAL HG1 H 0.41 0 2 464 312 43 VAL HG2 H 0.35 0 2 465 312 43 VAL C C 174.43 0 1 466 312 43 VAL CA C 60.11 0 1 467 312 43 VAL CB C 33.43 0 1 468 312 43 VAL CG1 C 22.25 0 2 469 312 43 VAL CG2 C 21.34 0 2 470 312 43 VAL N N 120.46 0 1 471 313 44 LYS H H 9.05 0 1 472 313 44 LYS HA H 4.84 0 1 473 313 44 LYS HB2 H 1.37 0 2 474 313 44 LYS HB3 H 1.27 0 2 475 313 44 LYS HG2 H 1.31 0 2 476 313 44 LYS HG3 H 1.31 0 2 477 313 44 LYS HD2 H 1.73 0 2 478 313 44 LYS HD3 H 1.73 0 2 479 313 44 LYS HE2 H 2.97 0 2 480 313 44 LYS HE3 H 2.97 0 2 481 313 44 LYS C C 174.3 0 1 482 313 44 LYS CA C 54.68 0 1 483 313 44 LYS CB C 36.14 0 1 484 313 44 LYS CG C 24.55 0 1 485 313 44 LYS CD C 29.72 0 1 486 313 44 LYS CE C 41.97 0 1 487 313 44 LYS N N 125.5 0 1 488 314 45 ILE H H 8.77 0 1 489 314 45 ILE HA H 4.78 0 1 490 314 45 ILE HB H 1.13 0 1 491 314 45 ILE HG12 H 0.92 0 2 492 314 45 ILE HG13 H 0.38 0 2 493 314 45 ILE HG2 H 0.41 0 1 494 314 45 ILE HD1 H 0.06 0 1 495 314 45 ILE C C 174.7 0 1 496 314 45 ILE CA C 60.05 0 1 497 314 45 ILE CB C 41.8 0 1 498 314 45 ILE CG1 C 28.68 0 1 499 314 45 ILE CG2 C 19.85 0 1 500 314 45 ILE CD1 C 15.91 0 . 501 314 45 ILE N N 123.76 0 1 502 315 46 HIS H H 9.07 0 1 503 315 46 HIS HA H 5.34 0 1 504 315 46 HIS HB2 H 2.66 0 2 505 315 46 HIS HB3 H 2.66 0 2 506 315 46 HIS HD2 H 6.93 0 1 507 315 46 HIS HE1 H 7.5 0 1 508 315 46 HIS C C 173.54 0 1 509 315 46 HIS CA C 54.59 0 1 510 315 46 HIS CB C 34.28 0 1 511 315 46 HIS N N 122.82 0 1 512 316 47 LEU H H 8.35 0 1 513 316 47 LEU HA H 4.76 0 1 514 316 47 LEU HB2 H 0.36 0 2 515 316 47 LEU HB3 H 1.5 0 2 516 316 47 LEU HG H 1.14 0 1 517 316 47 LEU HD1 H 0.35 0 2 518 316 47 LEU HD2 H 0.56 0 2 519 316 47 LEU C C 174.72 0 1 520 316 47 LEU CA C 53.48 0 1 521 316 47 LEU CB C 44.01 0 1 522 316 47 LEU CG C 27.41 0 1 523 316 47 LEU CD1 C 23.53 0 2 524 316 47 LEU CD2 C 26.23 0 2 525 316 47 LEU N N 124.78 0 1 526 317 48 MET H H 9.24 0 1 527 317 48 MET HA H 5.36 0 1 528 317 48 MET HB2 H 1.8 0 2 529 317 48 MET HB3 H 1.8 0 2 530 317 48 MET HG2 H 2.24 0 2 531 317 48 MET HG3 H 2.07 0 2 532 317 48 MET C C 174.72 0 1 533 317 48 MET CA C 53.49 0 1 534 317 48 MET CB C 35.8 0 1 535 317 48 MET CG C 32.08 0 1 536 317 48 MET CE C 20.03 0 1 537 317 48 MET N N 125.55 0 1 538 318 49 GLN H H 8.51 0 1 539 318 49 GLN HA H 4.35 0 1 540 318 49 GLN HB2 H 1.85 0 2 541 318 49 GLN HB3 H 1.85 0 2 542 318 49 GLN HG2 H 2.22 0 2 543 318 49 GLN HG3 H 2.13 0 2 544 318 49 GLN HE22 H 6.83 0 2 545 318 49 GLN C C 175.85 0 1 546 318 49 GLN CA C 56.33 0 1 547 318 49 GLN CB C 32.24 0 1 548 318 49 GLN CG C 33.36 0 1 549 318 49 GLN N N 118.13 0 1 550 319 50 ASN H H 9.43 0 1 551 319 50 ASN HA H 4.25 0 1 552 319 50 ASN HB2 H 2.51 0 2 553 319 50 ASN HB3 H 3.01 0 2 554 319 50 ASN HD22 H 6.84 0 2 555 319 50 ASN C C 174.65 0 1 556 319 50 ASN CA C 54.18 0 1 557 319 50 ASN CB C 37.64 0 1 558 319 50 ASN N N 127.59 0 1 559 320 51 GLY H H 8.95 0 1 560 320 51 GLY HA2 H 3.92 0 2 561 320 51 GLY HA3 H 3.5 0 . 562 320 51 GLY C C 173.16 0 1 563 320 51 GLY CA C 45.48 0 1 564 320 51 GLY N N 104.03 0 1 565 321 52 LYS H H 7.65 0 1 566 321 52 LYS HA H 4.4 0 1 567 321 52 LYS HB2 H 1.68 0 2 568 321 52 LYS HB3 H 1.68 0 2 569 321 52 LYS HG2 H 1.39 0 2 570 321 52 LYS HG3 H 1.32 0 2 571 321 52 LYS HD2 H 1.64 0 2 572 321 52 LYS HD3 H 1.64 0 2 573 321 52 LYS HE2 H 2.97 0 2 574 321 52 LYS HE3 H 2.97 0 2 575 321 52 LYS C C 175.37 0 1 576 321 52 LYS CA C 54.34 0 1 577 321 52 LYS CB C 34.23 0 1 578 321 52 LYS CG C 24.67 0 1 579 321 52 LYS CD C 28.71 0 1 580 321 52 LYS CE C 42.14 0 1 581 321 52 LYS N N 120.22 0 1 582 322 53 ARG H H 8.7 0 1 583 322 53 ARG HA H 4.41 0 1 584 322 53 ARG HB2 H 1.4 0 2 585 322 53 ARG HB3 H 1.62 0 2 586 322 53 ARG HG3 H 1.24 0 2 587 322 53 ARG HD2 H 2.74 0 2 588 322 53 ARG HD3 H 2.72 0 2 589 322 53 ARG C C 175.65 0 1 590 322 53 ARG CA C 56.62 0 1 591 322 53 ARG CB C 29.96 0 1 592 322 53 ARG CG C 27.11 0 1 593 322 53 ARG N N 123.54 0 1 594 323 54 LEU H H 9.27 0 1 595 323 54 LEU HA H 4.35 0 1 596 323 54 LEU HB2 H 1.54 0 2 597 323 54 LEU HB3 H 1.5 0 2 598 323 54 LEU HG H 1.54 0 1 599 323 54 LEU HD1 H 0.75 0 2 600 323 54 LEU HD2 H 0.72 0 2 601 323 54 LEU C C 177.38 0 1 602 323 54 LEU CA C 56.23 0 1 603 323 54 LEU CB C 42.95 0 1 604 323 54 LEU CG C 27.05 0 1 605 323 54 LEU CD1 C 24.98 0 2 606 323 54 LEU CD2 C 22.41 0 2 607 323 54 LEU N N 127.22 0 1 608 324 55 LYS H H 7.41 0 1 609 324 55 LYS HA H 4.67 0 1 610 324 55 LYS HB2 H 1.86 0 2 611 324 55 LYS HB3 H 1.84 0 2 612 324 55 LYS HG2 H 1.63 0 2 613 324 55 LYS HG3 H 1.53 0 2 614 324 55 LYS HD2 H 1.87 0 2 615 324 55 LYS HD3 H 2 0 2 616 324 55 LYS HE2 H 3.06 0 2 617 324 55 LYS HE3 H 3.06 0 2 618 324 55 LYS C C 174.48 0 1 619 324 55 LYS CA C 54.46 0 1 620 324 55 LYS CB C 37.58 0 1 621 324 55 LYS CG C 25.14 0 1 622 324 55 LYS CD C 28.41 0 1 623 324 55 LYS CE C 42.29 0 1 624 324 55 LYS N N 115.21 0 1 625 325 56 LYS H H 8.47 0 1 626 325 56 LYS HA H 5.32 0 1 627 325 56 LYS HB2 H 1.56 0 2 628 325 56 LYS HB3 H 1.56 0 2 629 325 56 LYS HG2 H 1.01 0 2 630 325 56 LYS HG3 H 1.01 0 2 631 325 56 LYS HD2 H 1.54 0 2 632 325 56 LYS HD3 H 1.54 0 2 633 325 56 LYS HE2 H 2.87 0 2 634 325 56 LYS HE3 H 2.87 0 2 635 325 56 LYS C C 174.7 0 1 636 325 56 LYS CA C 54.97 0 1 637 325 56 LYS CB C 35.73 0 1 638 325 56 LYS CG C 24.02 0 1 639 325 56 LYS CD C 28.86 0 1 640 325 56 LYS CE C 42.17 0 1 641 325 56 LYS N N 122.42 0 1 642 326 57 LYS H H 8.85 0 1 643 326 57 LYS HA H 4.63 0 1 644 326 57 LYS HB2 H 1.44 0 2 645 326 57 LYS HB3 H 0.96 0 2 646 326 57 LYS HG2 H 1.11 0 2 647 326 57 LYS HG3 H 1.28 0 2 648 326 57 LYS HD2 H 2.1 0 2 649 326 57 LYS HD3 H 1.64 0 2 650 326 57 LYS HE3 H 2.67 0 2 651 326 57 LYS C C 174.33 0 1 652 326 57 LYS CA C 53.56 0 1 653 326 57 LYS CB C 37.96 0 1 654 326 57 LYS N N 122.74 0 1 655 327 58 LYS H H 8.31 0 1 656 327 58 LYS HA H 5.38 0 1 657 327 58 LYS HB2 H 1.71 0 2 658 327 58 LYS HB3 H 1.76 0 2 659 327 58 LYS HG2 H 1.45 0 2 660 327 58 LYS HG3 H 1.59 0 2 661 327 58 LYS HD2 H 1.73 0 2 662 327 58 LYS HD3 H 1.73 0 2 663 327 58 LYS HE2 H 2.97 0 2 664 327 58 LYS HE3 H 2.97 0 2 665 327 58 LYS C C 174.81 0 1 666 327 58 LYS CA C 55.12 0 1 667 327 58 LYS CB C 36.9 0 1 668 327 58 LYS CG C 23.61 0 1 669 327 58 LYS CD C 29.72 0 1 670 327 58 LYS CE C 41.97 0 1 671 327 58 LYS N N 118.07 0 1 672 328 59 THR H H 8.65 0 1 673 328 59 THR HA H 4.85 0 1 674 328 59 THR HB H 4.82 0 1 675 328 59 THR HG2 H 0.83 0 1 676 328 59 THR C C 175.55 0 1 677 328 59 THR CA C 60.95 0 1 678 328 59 THR CB C 73.29 0 1 679 328 59 THR CG2 C 20.4 0 . 680 328 59 THR N N 110.59 0 1 681 329 60 THR H H 9.42 0 1 682 329 60 THR HA H 4.12 0 1 683 329 60 THR HB H 4.24 0 1 684 329 60 THR HG2 H 1.34 0 1 685 329 60 THR C C 173.57 0 1 686 329 60 THR CA C 62.71 0 1 687 329 60 THR CB C 70.92 0 1 688 329 60 THR CG2 C 22.18 0 . 689 329 60 THR N N 109.52 0 1 690 330 61 ILE H H 8.06 0 1 691 330 61 ILE HA H 4.23 0 1 692 330 61 ILE HB H 1.21 0 1 693 330 61 ILE HG12 H 0.46 0 2 694 330 61 ILE HG13 H 0.3 0 2 695 330 61 ILE HG2 H 0.42 0 1 696 330 61 ILE HD1 H -0.07 0 1 697 330 61 ILE C C 177.05 0 1 698 330 61 ILE CA C 61.06 0 1 699 330 61 ILE CB C 40.2 0 1 700 330 61 ILE CG1 C 28.37 0 1 701 330 61 ILE CG2 C 18.08 0 1 702 330 61 ILE CD1 C 14.15 0 . 703 330 61 ILE N N 119.07 0 1 704 331 62 LYS H H 7.97 0 1 705 331 62 LYS HA H 4.62 0 1 706 331 62 LYS HB2 H 1.71 0 2 707 331 62 LYS HB3 H 1.71 0 2 708 331 62 LYS HG2 H 1.18 0 2 709 331 62 LYS HG3 H 0.8 0 2 710 331 62 LYS HE2 H 2.93 0 2 711 331 62 LYS HE3 H 2.63 0 2 712 331 62 LYS C C 174.08 0 1 713 331 62 LYS CA C 52.17 0 1 714 331 62 LYS CB C 31.61 0 1 715 331 62 LYS CG C 24.81 0 1 716 331 62 LYS CD C 27.44 0 1 717 331 62 LYS N N 127.44 0 1 718 332 63 LYS H H 8 0 1 719 332 63 LYS HA H 4.63 0 1 720 332 63 LYS HB2 H 1.62 0 2 721 332 63 LYS HB3 H 1.62 0 2 722 332 63 LYS HG2 H 1.21 0 2 723 332 63 LYS HG3 H 1.53 0 2 724 332 63 LYS HD2 H 1.67 0 2 725 332 63 LYS HD3 H 1.67 0 2 726 332 63 LYS HE2 H 2.85 0 2 727 332 63 LYS HE3 H 2.85 0 2 728 332 63 LYS C C 177.27 0 1 729 332 63 LYS CA C 55.31 0 1 730 332 63 LYS CB C 33.55 0 1 731 332 63 LYS CG C 25.44 0 1 732 332 63 LYS CD C 28.51 0 1 733 332 63 LYS N N 118.22 0 1 734 333 64 ASN H H 9.71 0 1 735 333 64 ASN HA H 4.25 0 1 736 333 64 ASN HB2 H 2.51 0 2 737 333 64 ASN HB3 H 2.98 0 2 738 333 64 ASN HD21 H 7.56 0 2 739 333 64 ASN C C 173.47 0 1 740 333 64 ASN CA C 54.03 0 1 741 333 64 ASN CB C 37.91 0 1 742 333 64 ASN N N 122.92 0 1 743 334 65 THR H H 8.63 0 1 744 334 65 THR HA H 4.6 0 1 745 334 65 THR HB H 4.1 0 1 746 334 65 THR HG1 H 0.72 0 1 747 334 65 THR HG2 H 1.13 0 . 748 334 65 THR C C 170 0 1 749 334 65 THR CA C 60.58 0 1 750 334 65 THR CB C 68.6 0 1 751 334 65 THR CG2 C 20.27 0 . 752 334 65 THR N N 112.09 0 1 753 335 66 LEU H H 8.53 0 1 754 335 66 LEU HA H 4.5 0 1 755 335 66 LEU HB2 H 1.51 0 2 756 335 66 LEU HB3 H 1.97 0 2 757 335 66 LEU HG H 1.68 0 1 758 335 66 LEU HD1 H 1 0 2 759 335 66 LEU HD2 H 0.76 0 2 760 335 66 LEU C C 173.97 0 1 761 335 66 LEU CA C 52.79 0 1 762 335 66 LEU CB C 40.56 0 1 763 335 66 LEU CG C 27.24 0 1 764 335 66 LEU CD1 C 24.95 0 2 765 335 66 LEU CD2 C 21.55 0 2 766 335 66 LEU N N 121.88 0 1 767 336 67 ASN H H 8.54 0 1 768 336 67 ASN HA H 5.5 0 1 769 336 67 ASN HB2 H 2.7 0 2 770 336 67 ASN HB3 H 2.55 0 2 771 336 67 ASN HD21 H 7.59 0 2 772 336 67 ASN CA C 51.19 0 1 773 336 67 ASN CB C 41.62 0 1 774 336 67 ASN N N 115.42 0 1 775 337 68 PRO HA H 4.17 0 1 776 337 68 PRO HB2 H 1.11 0 2 777 337 68 PRO HB3 H 1.53 0 2 778 337 68 PRO HG2 H 2.24 0 2 779 337 68 PRO HG3 H 1.9 0 2 780 337 68 PRO HD3 H 3.03 0 2 781 337 68 PRO C C 173.48 0 1 782 337 68 PRO CA C 62.71 0 1 783 337 68 PRO CB C 32.61 0 1 784 338 69 TYR H H 8.06 0 1 785 338 69 TYR HA H 4.47 0 1 786 338 69 TYR HB2 H 2.91 0 2 787 338 69 TYR HB3 H 2.78 0 2 788 338 69 TYR HD1 H 7.46 0 3 789 338 69 TYR HD2 H 7.46 0 3 790 338 69 TYR HE1 H 6.98 0 3 791 338 69 TYR HE2 H 6.98 0 3 792 338 69 TYR C C 174.39 0 1 793 338 69 TYR CA C 57.74 0 1 794 338 69 TYR CB C 40.53 0 1 795 338 69 TYR N N 120.55 0 1 796 339 70 TYR H H 8.08 0 1 797 339 70 TYR HA H 4.4 0 1 798 339 70 TYR HB2 H 2.34 0 2 799 339 70 TYR HB3 H 2.73 0 2 800 339 70 TYR HD1 H 6.97 0 3 801 339 70 TYR HD2 H 6.97 0 3 802 339 70 TYR C C 175.19 0 1 803 339 70 TYR CA C 59.04 0 1 804 339 70 TYR CB C 40.29 0 1 805 339 70 TYR N N 122.14 0 1 806 340 71 ASN H H 8.13 0 1 807 340 71 ASN HA H 4.08 0 1 808 340 71 ASN HB2 H 2.21 0 2 809 340 71 ASN HB3 H 3.2 0 2 810 340 71 ASN HD22 H 7.5 0 2 811 340 71 ASN C C 173.51 0 1 812 340 71 ASN CA C 53.96 0 1 813 340 71 ASN CB C 37.45 0 1 814 340 71 ASN N N 120.26 0 1 815 341 72 GLU H H 7.53 0 1 816 341 72 GLU HA H 4.3 0 1 817 341 72 GLU HB2 H 1.41 0 2 818 341 72 GLU HB3 H 1.86 0 2 819 341 72 GLU HG2 H 2.15 0 2 820 341 72 GLU C C 173 0 1 821 341 72 GLU CA C 55.47 0 1 822 341 72 GLU CB C 33.32 0 1 823 341 72 GLU CG C 36.6 0 1 824 341 72 GLU N N 117.37 0 1 825 342 73 SER H H 8.01 0 1 826 342 73 SER HA H 4.74 0 1 827 342 73 SER HB2 H 3.35 0 2 828 342 73 SER HB3 H 3.35 0 2 829 342 73 SER C C 172.93 0 1 830 342 73 SER CA C 56.81 0 1 831 342 73 SER CB C 64.72 0 1 832 342 73 SER N N 117.33 0 1 833 343 74 PHE H H 8.78 0 1 834 343 74 PHE HA H 4.48 0 1 835 343 74 PHE HB2 H 2.53 0 2 836 343 74 PHE HB3 H 2.53 0 2 837 343 74 PHE HD1 H 6.97 0 3 838 343 74 PHE HD2 H 6.97 0 3 839 343 74 PHE C C 173.48 0 1 840 343 74 PHE CA C 57.28 0 1 841 343 74 PHE CB C 43.13 0 1 842 343 74 PHE N N 123.52 0 1 843 344 75 SER H H 8.43 0 1 844 344 75 SER HA H 5.48 0 1 845 344 75 SER HB2 H 3.51 0 2 846 344 75 SER HB3 H 3.51 0 2 847 344 75 SER C C 172.17 0 1 848 344 75 SER CA C 57.21 0 1 849 344 75 SER CB C 66.14 0 1 850 344 75 SER N N 116.7 0 1 851 345 76 PHE H H 9.44 0 1 852 345 76 PHE HA H 4.8 0 1 853 345 76 PHE HB2 H 2.65 0 2 854 345 76 PHE HB3 H 2.99 0 2 855 345 76 PHE HD1 H 7.08 0 3 856 345 76 PHE HD2 H 7.08 0 3 857 345 76 PHE HE1 H 6.63 0 3 858 345 76 PHE HE2 H 6.63 0 3 859 345 76 PHE C C 173.44 0 1 860 345 76 PHE CA C 56.08 0 1 861 345 76 PHE CB C 43.52 0 1 862 345 76 PHE N N 119.99 0 1 863 346 77 GLU H H 9 0 1 864 346 77 GLU HA H 4.89 0 1 865 346 77 GLU HB2 H 2.02 0 2 866 346 77 GLU HB3 H 2.02 0 2 867 346 77 GLU HG2 H 2.17 0 2 868 346 77 GLU HG3 H 2.14 0 2 869 346 77 GLU C C 175.51 0 1 870 346 77 GLU CA C 55.88 0 1 871 346 77 GLU CB C 29.22 0 1 872 346 77 GLU CG C 36.31 0 1 873 346 77 GLU N N 124.12 0 1 874 347 78 VAL H H 8.47 0 1 875 347 78 VAL HA H 4.39 0 1 876 347 78 VAL HB H 1.94 0 1 877 347 78 VAL HG1 H 0.77 0 2 878 347 78 VAL HG2 H 0.75 0 2 879 347 78 VAL CA C 59.35 0 1 880 347 78 VAL CB C 35.71 0 1 881 347 78 VAL CG1 C 21.73 0 2 882 347 78 VAL CG2 C 21.73 0 2 883 347 78 VAL N N 125.14 0 1 884 348 79 PRO HA H 4.55 0 1 885 348 79 PRO HB2 H 1.89 0 2 886 348 79 PRO HB3 H 2.45 0 2 887 348 79 PRO HG2 H 2.02 0 2 888 348 79 PRO HG3 H 1.91 0 2 889 348 79 PRO HD2 H 3.63 0 2 890 348 79 PRO HD3 H 3.63 0 2 891 348 79 PRO C C 177.33 0 1 892 348 79 PRO CA C 62.85 0 1 893 348 79 PRO CB C 32.87 0 1 894 348 79 PRO CG C 27.49 0 1 895 348 79 PRO CD C 51.4 0 1 896 349 80 PHE H H 9.25 0 1 897 349 80 PHE HA H 4.61 0 1 898 349 80 PHE HB2 H 2.98 0 2 899 349 80 PHE HB3 H 3.43 0 2 900 349 80 PHE HD1 H 7.27 0 3 901 349 80 PHE HD2 H 7.27 0 3 902 349 80 PHE C C 177.63 0 1 903 349 80 PHE CA C 61.05 0 1 904 349 80 PHE CB C 38.96 0 1 905 349 80 PHE N N 125.59 0 1 906 350 81 GLU H H 9.12 0 1 907 350 81 GLU HA H 3.87 0 1 908 350 81 GLU HB2 H 1.93 0 2 909 350 81 GLU HB3 H 1.93 0 2 910 350 81 GLU HG2 H 2.23 0 2 911 350 81 GLU HG3 H 2.2 0 2 912 350 81 GLU C C 176.96 0 1 913 350 81 GLU CA C 58.87 0 1 914 350 81 GLU CB C 28.59 0 1 915 350 81 GLU CG C 35.97 0 1 916 350 81 GLU N N 116.26 0 1 917 351 82 GLN H H 8.08 0 1 918 351 82 GLN HA H 4.3 0 1 919 351 82 GLN HB2 H 2.15 0 2 920 351 82 GLN HB3 H 1.38 0 2 921 351 82 GLN HG2 H 2.33 0 2 922 351 82 GLN HG3 H 2.23 0 2 923 351 82 GLN HE21 H 7.41 0 2 924 351 82 GLN HE22 H 6.84 0 2 925 351 82 GLN C C 177.67 0 1 926 351 82 GLN CA C 55.02 0 1 927 351 82 GLN CB C 30.36 0 1 928 351 82 GLN N N 116.39 0 1 929 352 83 ILE H H 7.11 0 1 930 352 83 ILE HA H 3.9 0 1 931 352 83 ILE HB H 1.44 0 1 932 352 83 ILE HG12 H 0.08 0 2 933 352 83 ILE HG13 H 0.88 0 2 934 352 83 ILE HG2 H 0.76 0 1 935 352 83 ILE HD1 H 0.26 0 1 936 352 83 ILE C C 174.82 0 1 937 352 83 ILE CA C 60.85 0 1 938 352 83 ILE CB C 38.61 0 1 939 352 83 ILE CG1 C 28.8 0 1 940 352 83 ILE CG2 C 19.24 0 1 941 352 83 ILE CD1 C 14.67 0 . 942 352 83 ILE N N 120.35 0 1 943 353 84 GLN H H 8.11 0 1 944 353 84 GLN HA H 4.29 0 1 945 353 84 GLN HB2 H 2.2 0 2 946 353 84 GLN HB3 H 1.93 0 2 947 353 84 GLN HG2 H 2.38 0 2 948 353 84 GLN HG3 H 2.21 0 2 949 353 84 GLN HE21 H 7.41 0 2 950 353 84 GLN HE22 H 6.84 0 2 951 353 84 GLN C C 176.52 0 1 952 353 84 GLN CA C 57.04 0 1 953 353 84 GLN CB C 27.7 0 1 954 353 84 GLN N N 116.23 0 1 955 354 85 LYS H H 7.75 0 1 956 354 85 LYS HA H 4.01 0 1 957 354 85 LYS HB2 H 1.75 0 2 958 354 85 LYS HB3 H 1.48 0 2 959 354 85 LYS HG2 H 0.86 0 2 960 354 85 LYS HG3 H 1.18 0 2 961 354 85 LYS HD2 H 1.36 0 2 962 354 85 LYS HD3 H 1.17 0 2 963 354 85 LYS HE2 H 2.82 0 2 964 354 85 LYS HE3 H 2.82 0 2 965 354 85 LYS C C 175.92 0 1 966 354 85 LYS CA C 55.09 0 1 967 354 85 LYS CB C 33.61 0 1 968 354 85 LYS N N 114.9 0 1 969 355 86 VAL H H 6.9 0 1 970 355 86 VAL HA H 4.81 0 1 971 355 86 VAL HB H 2.17 0 1 972 355 86 VAL HG1 H 0.88 0 2 973 355 86 VAL HG2 H 1.02 0 2 974 355 86 VAL C C 174.78 0 1 975 355 86 VAL CA C 60.45 0 1 976 355 86 VAL CB C 34.32 0 1 977 355 86 VAL N N 112.96 0 1 978 356 87 GLN H H 8.56 0 1 979 356 87 GLN HA H 4.37 0 1 980 356 87 GLN HB2 H 1.67 0 2 981 356 87 GLN HB3 H 1.22 0 2 982 356 87 GLN HG2 H 1.94 0 2 983 356 87 GLN HG3 H 1.94 0 2 984 356 87 GLN C C 174.39 0 1 985 356 87 GLN CA C 54.41 0 1 986 356 87 GLN CB C 30.82 0 1 987 356 87 GLN N N 118.23 0 1 988 357 88 VAL H H 8.3 0 1 989 357 88 VAL HA H 4.58 0 1 990 357 88 VAL HB H 1.71 0 1 991 357 88 VAL HG1 H 0.29 0 2 992 357 88 VAL HG2 H 0.53 0 2 993 357 88 VAL C C 173.86 0 1 994 357 88 VAL CA C 61.19 0 1 995 357 88 VAL CB C 31.95 0 1 996 357 88 VAL CG1 C 20.53 0 2 997 357 88 VAL CG2 C 21.52 0 2 998 357 88 VAL N N 122.08 0 1 999 358 89 VAL H H 9.01 0 1 1000 358 89 VAL HA H 4.27 0 1 1001 358 89 VAL HB H 1.87 0 1 1002 358 89 VAL HG1 H 0.79 0 2 1003 358 89 VAL HG2 H 0.78 0 2 1004 358 89 VAL C C 174.84 0 1 1005 358 89 VAL CA C 61.24 0 1 1006 358 89 VAL CB C 33.02 0 1 1007 358 89 VAL CG1 C 22.3 0 2 1008 358 89 VAL CG2 C 20.91 0 2 1009 358 89 VAL N N 127.8 0 1 1010 359 90 VAL H H 9.12 0 1 1011 359 90 VAL HA H 4.49 0 1 1012 359 90 VAL HB H 1.59 0 1 1013 359 90 VAL HG1 H 0.34 0 2 1014 359 90 VAL HG2 H -0.06 0 2 1015 359 90 VAL C C 173.58 0 1 1016 359 90 VAL CA C 61.48 0 1 1017 359 90 VAL CB C 33.53 0 1 1018 359 90 VAL CG1 C 21.6 0 2 1019 359 90 VAL CG2 C 19.42 0 2 1020 359 90 VAL N N 129.8 0 1 1021 360 91 THR H H 8.75 0 1 1022 360 91 THR HA H 4.77 0 1 1023 360 91 THR HB H 3.6 0 1 1024 360 91 THR C C 173.01 0 1 1025 360 91 THR CA C 61.36 0 1 1026 360 91 THR CB C 70.86 0 1 1027 360 91 THR N N 122.29 0 1 1028 361 92 VAL H H 8.58 0 1 1029 361 92 VAL HA H 4.67 0 1 1030 361 92 VAL HB H 1.75 0 1 1031 361 92 VAL HG1 H 0.95 0 2 1032 361 92 VAL HG2 H 0.83 0 2 1033 361 92 VAL C C 174.22 0 1 1034 361 92 VAL CA C 61 0 1 1035 361 92 VAL CB C 31.96 0 1 1036 361 92 VAL CG1 C 21.78 0 2 1037 361 92 VAL CG2 C 23.3 0 2 1038 361 92 VAL N N 125.18 0 1 1039 362 93 LEU H H 8.86 0 1 1040 362 93 LEU HA H 4.75 0 1 1041 362 93 LEU HB2 H 1.09 0 2 1042 362 93 LEU HB3 H 0.41 0 2 1043 362 93 LEU HG H 1.11 0 1 1044 362 93 LEU HD1 H 0.4 0 2 1045 362 93 LEU HD2 H 0.77 0 2 1046 362 93 LEU C C 173.47 0 1 1047 362 93 LEU CA C 55.47 0 1 1048 362 93 LEU CB C 44.44 0 1 1049 362 93 LEU N N 127.95 0 1 1050 363 94 ASP H H 8.38 0 1 1051 363 94 ASP HA H 4.81 0 1 1052 363 94 ASP HB2 H 2.57 0 2 1053 363 94 ASP HB3 H 2.25 0 2 1054 363 94 ASP C C 175.87 0 1 1055 363 94 ASP CA C 52.02 0 1 1056 363 94 ASP CB C 44.16 0 1 1057 363 94 ASP N N 116.58 0 1 1058 364 95 TYR H H 9.38 0 1 1059 364 95 TYR HA H 4.31 0 1 1060 364 95 TYR HB2 H 3 0 2 1061 364 95 TYR HB3 H 3 0 2 1062 364 95 TYR HD1 H 6.83 0 3 1063 364 95 TYR HD2 H 6.83 0 3 1064 364 95 TYR HE1 H 6.47 0 3 1065 364 95 TYR HE2 H 6.47 0 3 1066 364 95 TYR C C 175.26 0 1 1067 364 95 TYR CA C 59.75 0 1 1068 364 95 TYR CB C 39.3 0 1 1069 364 95 TYR N N 127.59 0 1 1070 365 96 ASP H H 7.8 0 1 1071 365 96 ASP HA H 4.59 0 1 1072 365 96 ASP HB2 H 2.34 0 2 1073 365 96 ASP HB3 H 2.41 0 2 1074 365 96 ASP C C 172.48 0 1 1075 365 96 ASP CA C 52.63 0 1 1076 365 96 ASP CB C 41.91 0 1 1077 365 96 ASP N N 131.5 0 1 1078 366 97 LYS H H 8.03 0 1 1079 366 97 LYS HA H 3.84 0 1 1080 366 97 LYS HB2 H 1.83 0 2 1081 366 97 LYS HB3 H 1.83 0 2 1082 366 97 LYS HG2 H 1.44 0 2 1083 366 97 LYS HG3 H 1.44 0 2 1084 366 97 LYS HD2 H 1.76 0 2 1085 366 97 LYS HD3 H 1.76 0 2 1086 366 97 LYS HE2 H 3.08 0 2 1087 366 97 LYS HE3 H 3.08 0 2 1088 366 97 LYS C C 176.44 0 1 1089 366 97 LYS CA C 58.4 0 1 1090 366 97 LYS CB C 33.03 0 1 1091 366 97 LYS N N 120.72 0 1 1092 367 98 ILE H H 7.79 0 1 1093 367 98 ILE HA H 4.08 0 1 1094 367 98 ILE HB H 1.72 0 1 1095 367 98 ILE HG12 H 1.35 0 2 1096 367 98 ILE HG13 H 1.05 0 2 1097 367 98 ILE HG2 H 0.75 0 1 1098 367 98 ILE HD1 H 0.74 0 1 1099 367 98 ILE C C 176.2 0 1 1100 367 98 ILE CA C 60.91 0 1 1101 367 98 ILE CB C 38.44 0 1 1102 367 98 ILE CG1 C 27.03 0 1 1103 367 98 ILE CG2 C 17.14 0 1 1104 367 98 ILE CD1 C 12.43 0 1 1105 367 98 ILE N N 117.46 0 1 1106 368 99 GLY H H 8.16 0 1 1107 368 99 GLY HA2 H 3.68 0 2 1108 368 99 GLY HA3 H 4.11 0 . 1109 368 99 GLY C C 173.46 0 1 1110 368 99 GLY CA C 44.19 0 1 1111 368 99 GLY N N 113.73 0 1 1112 369 100 LYS H H 8.02 0 1 1113 369 100 LYS HA H 4.26 0 1 1114 369 100 LYS HB2 H 1.71 0 2 1115 369 100 LYS HB3 H 1.71 0 2 1116 369 100 LYS HG2 H 1.43 0 2 1117 369 100 LYS HG3 H 1.33 0 2 1118 369 100 LYS HD2 H 1.67 0 2 1119 369 100 LYS HD3 H 1.67 0 2 1120 369 100 LYS HE2 H 3.01 0 2 1121 369 100 LYS HE3 H 3.01 0 2 1122 369 100 LYS C C 175.27 0 1 1123 369 100 LYS CA C 56.03 0 1 1124 369 100 LYS CB C 33.09 0 1 1125 369 100 LYS CG C 24.46 0 1 1126 369 100 LYS CD C 28.66 0 1 1127 369 100 LYS CE C 40 0 1 1128 369 100 LYS N N 119.98 0 1 1129 370 101 ASN H H 8.73 0 1 1130 370 101 ASN HA H 5.04 0 1 1131 370 101 ASN HB2 H 2.85 0 2 1132 370 101 ASN HB3 H 2.85 0 2 1133 370 101 ASN HD21 H 7.17 0 2 1134 370 101 ASN CA C 52.23 0 1 1135 370 101 ASN CB C 38.49 0 1 1136 370 101 ASN N N 124.53 0 1 1137 371 102 ASP H H 8.55 0 1 1138 371 102 ASP HA H 4.59 0 1 1139 371 102 ASP HB2 H 2.5 0 2 1140 371 102 ASP HB3 H 2.49 0 2 1141 371 102 ASP CA C 53.98 0 1 1142 371 102 ASP CB C 42.94 0 1 1143 371 102 ASP N N 123.52 0 1 1144 372 103 ALA H H 8.87 0 1 1145 372 103 ALA HA H 4.21 0 1 1146 372 103 ALA HB H 1.1 0 1 1147 372 103 ALA C C 177.14 0 1 1148 372 103 ALA CA C 52.91 0 1 1149 372 103 ALA CB C 17.74 0 1 1150 372 103 ALA N N 124.12 0 1 1151 373 104 ILE H H 9.49 0 1 1152 373 104 ILE HA H 3.85 0 1 1153 373 104 ILE HB H 1.38 0 1 1154 373 104 ILE HG12 H 1.59 0 2 1155 373 104 ILE HG13 H 1.16 0 2 1156 373 104 ILE HG2 H 1.07 0 1 1157 373 104 ILE HD1 H 0.79 0 1 1158 373 104 ILE C C 176.45 0 1 1159 373 104 ILE CA C 64.67 0 1 1160 373 104 ILE CB C 38.9 0 1 1161 373 104 ILE CG1 C 28.04 0 1 1162 373 104 ILE CG2 C 19.28 0 1 1163 373 104 ILE CD1 C 16.23 0 1 1164 373 104 ILE N N 123.11 0 1 1165 374 105 GLY H H 7.31 0 1 1166 374 105 GLY HA2 H 3.85 0 2 1167 374 105 GLY HA3 H 4.07 0 . 1168 374 105 GLY C C 170.16 0 1 1169 374 105 GLY CA C 46.13 0 1 1170 374 105 GLY N N 99.21 0 1 1171 375 106 LYS H H 9.6 0 1 1172 375 106 LYS HA H 5.52 0 1 1173 375 106 LYS HB2 H 1.56 0 2 1174 375 106 LYS HB3 H 1.56 0 2 1175 375 106 LYS HG2 H 1.26 0 2 1176 375 106 LYS HG3 H 1.26 0 2 1177 375 106 LYS HD2 H 1.63 0 2 1178 375 106 LYS HD3 H 1.45 0 2 1179 375 106 LYS HE2 H 2.39 0 2 1180 375 106 LYS HE3 H 2.19 0 2 1181 375 106 LYS C C 173.6 0 1 1182 375 106 LYS CA C 55.13 0 1 1183 375 106 LYS CB C 39.04 0 1 1184 375 106 LYS CG C 24.15 0 1 1185 375 106 LYS CD C 31.01 0 1 1186 375 106 LYS CE C 41.92 0 1 1187 375 106 LYS N N 119.58 0 1 1188 376 107 VAL H H 8.91 0 1 1189 376 107 VAL HA H 4.67 0 1 1190 376 107 VAL HB H 2.21 0 1 1191 376 107 VAL HG1 H 0.94 0 2 1192 376 107 VAL HG2 H 0.84 0 2 1193 376 107 VAL C C 172.04 0 1 1194 376 107 VAL CA C 60.67 0 1 1195 376 107 VAL CB C 35.22 0 1 1196 376 107 VAL CG1 C 21.36 0 2 1197 376 107 VAL CG2 C 21.36 0 2 1198 376 107 VAL N N 116.62 0 1 1199 377 108 PHE H H 8.56 0 1 1200 377 108 PHE HA H 5.69 0 1 1201 377 108 PHE HB2 H 2.58 0 2 1202 377 108 PHE HB3 H 2.82 0 2 1203 377 108 PHE HD1 H 6.61 0 3 1204 377 108 PHE HD2 H 6.61 0 3 1205 377 108 PHE CA C 55.46 0 1 1206 377 108 PHE CB C 44.42 0 1 1207 377 108 PHE N N 120.92 0 1 1208 378 109 VAL H H 8.32 0 1 1209 378 109 VAL HA H 4.15 0 1 1210 378 109 VAL HB H 2.17 0 1 1211 378 109 VAL HG1 H 0.86 0 2 1212 378 109 VAL HG2 H 0.88 0 2 1213 378 109 VAL CA C 58.14 0 1 1214 378 109 VAL CB C 33.75 0 1 1215 378 109 VAL N N 108.5 0 1 1216 379 110 GLY HA2 H 3.56 0 2 1217 379 110 GLY HA3 H 3.56 0 . 1218 379 110 GLY CA C 41.34 0 1 1219 380 111 TYR HA H 4.01 0 1 1220 380 111 TYR HB2 H 2.96 0 2 1221 380 111 TYR HB3 H 2.96 0 2 1222 380 111 TYR CA C 59.88 0 1 1223 380 111 TYR CB C 37.86 0 1 1224 381 112 ASN HA H 4.25 0 1 1225 381 112 ASN HB2 H 3 0 2 1226 381 112 ASN HB3 H 2.51 0 2 1227 381 112 ASN CA C 54.17 0 1 1228 381 112 ASN CB C 37.81 0 1 1229 382 113 SER HA H 4.14 0 1 1230 382 113 SER HB2 H 3.07 0 2 1231 382 113 SER HB3 H 3.65 0 2 1232 382 113 SER C C 172.76 0 1 1233 382 113 SER CA C 58.61 0 1 1234 382 113 SER CB C 64.62 0 1 1235 383 114 THR H H 7.71 0 1 1236 383 114 THR HA H 4.73 0 1 1237 383 114 THR HB H 4.18 0 1 1238 383 114 THR HG2 H 1.03 0 1 1239 383 114 THR C C 176.03 0 1 1240 383 114 THR CA C 60.12 0 1 1241 383 114 THR CB C 72.95 0 1 1242 383 114 THR CG2 C 21.3 0 . 1243 383 114 THR N N 106.23 0 1 1244 384 115 GLY H H 8.84 0 1 1245 384 115 GLY HA2 H 3.78 0 2 1246 384 115 GLY HA3 H 4.98 0 . 1247 384 115 GLY C C 175.92 0 1 1248 384 115 GLY CA C 47.15 0 1 1249 384 115 GLY N N 108.4 0 1 1250 385 116 ALA H H 9.31 0 1 1251 385 116 ALA HA H 4.11 0 1 1252 385 116 ALA HB H 1.46 0 1 1253 385 116 ALA C C 179.67 0 1 1254 385 116 ALA CA C 54.31 0 1 1255 385 116 ALA CB C 18.1 0 1 1256 385 116 ALA N N 129.61 0 1 1257 386 117 GLU H H 8.14 0 1 1258 386 117 GLU HA H 4.11 0 1 1259 386 117 GLU HB2 H 2.88 0 2 1260 386 117 GLU HB3 H 2.44 0 2 1261 386 117 GLU HG2 H 1.51 0 2 1262 386 117 GLU HG3 H 1.51 0 2 1263 386 117 GLU C C 175.96 0 1 1264 386 117 GLU CA C 62.45 0 1 1265 386 117 GLU CB C 29.83 0 1 1266 386 117 GLU CG C 40.13 0 1 1267 386 117 GLU N N 121.72 0 1 1268 387 118 LEU H H 6.57 0 1 1269 387 118 LEU HA H 4.14 0 1 1270 387 118 LEU HB2 H 1.18 0 2 1271 387 118 LEU HB3 H 1.51 0 2 1272 387 118 LEU HG H 1.54 0 1 1273 387 118 LEU HD1 H 0.88 0 2 1274 387 118 LEU C C 179.58 0 1 1275 387 118 LEU CA C 56.9 0 1 1276 387 118 LEU CB C 40.27 0 1 1277 387 118 LEU CD1 C 22.38 0 2 1278 387 118 LEU N N 122.82 0 1 1279 388 119 ARG H H 8.12 0 1 1280 388 119 ARG HA H 4.09 0 1 1281 388 119 ARG HB2 H 1.88 0 2 1282 388 119 ARG HB3 H 1.85 0 2 1283 388 119 ARG HG2 H 1.57 0 2 1284 388 119 ARG HG3 H 1.57 0 2 1285 388 119 ARG HD2 H 3.21 0 2 1286 388 119 ARG HD3 H 3.21 0 2 1287 388 119 ARG C C 177.24 0 1 1288 388 119 ARG CA C 59.22 0 1 1289 388 119 ARG CB C 29.99 0 1 1290 388 119 ARG CG C 27.01 0 1 1291 388 119 ARG CD C 43.55 0 1 1292 388 119 ARG N N 119.95 0 1 1293 389 120 HIS H H 7.51 0 1 1294 389 120 HIS HA H 4.56 0 1 1295 389 120 HIS HB2 H 3.29 0 2 1296 389 120 HIS HB3 H 3.29 0 2 1297 389 120 HIS HD1 H 7.19 0 1 1298 389 120 HIS HE1 H 8.13 0 1 1299 389 120 HIS CA C 57.52 0 1 1300 389 120 HIS CB C 32.98 0 1 1301 389 120 HIS N N 118.04 0 1 1302 390 121 TRP H H 7.65 0 1 1303 390 121 TRP HA H 4.01 0 1 1304 390 121 TRP HB2 H 3.05 0 2 1305 390 121 TRP HB3 H 3.44 0 2 1306 390 121 TRP HD1 H 7.07 0 1 1307 390 121 TRP HE1 H 9.05 0 1 1308 390 121 TRP C C 176.9 0 1 1309 390 121 TRP CA C 60.24 0 1 1310 390 121 TRP CB C 30.8 0 1 1311 390 121 TRP N N 118.7 0 1 1312 391 122 SER H H 9.06 0 1 1313 391 122 SER HA H 4.01 0 1 1314 391 122 SER HB2 H 3.99 0 2 1315 391 122 SER HB3 H 3.98 0 2 1316 391 122 SER C C 177.46 0 1 1317 391 122 SER CA C 61.97 0 1 1318 391 122 SER CB C 62.49 0 1 1319 391 122 SER N N 113.11 0 1 1320 392 123 ASP H H 8.87 0 1 1321 392 123 ASP HA H 4.38 0 1 1322 392 123 ASP HB2 H 3.04 0 2 1323 392 123 ASP HB3 H 2.51 0 2 1324 392 123 ASP C C 178.83 0 1 1325 392 123 ASP CA C 57.57 0 1 1326 392 123 ASP CB C 40.04 0 1 1327 392 123 ASP N N 123.98 0 1 1328 393 124 MET H H 7.96 0 1 1329 393 124 MET HA H 3.97 0 1 1330 393 124 MET HB2 H 2.2 0 2 1331 393 124 MET HB3 H 1.67 0 2 1332 393 124 MET HG2 H 2.33 0 2 1333 393 124 MET HG3 H 1.7 0 2 1334 393 124 MET HE H 1.88 0 . 1335 393 124 MET C C 179 0 1 1336 393 124 MET CA C 59.35 0 1 1337 393 124 MET CB C 32.59 0 1 1338 393 124 MET CG C 30.95 0 1 1339 393 124 MET CE C 18.66 0 1 1340 393 124 MET N N 121.91 0 1 1341 394 125 LEU H H 7.61 0 1 1342 394 125 LEU HA H 3.89 0 1 1343 394 125 LEU HB2 H 1.31 0 2 1344 394 125 LEU HB3 H 1.66 0 2 1345 394 125 LEU HG H 1.03 0 1 1346 394 125 LEU HD1 H 0.68 0 2 1347 394 125 LEU HD2 H 0.38 0 2 1348 394 125 LEU C C 178.17 0 1 1349 394 125 LEU CA C 56.88 0 1 1350 394 125 LEU CB C 41.73 0 1 1351 394 125 LEU CG C 26 0 1 1352 394 125 LEU CD1 C 26.22 0 2 1353 394 125 LEU CD2 C 22.92 0 2 1354 394 125 LEU N N 118.5 0 1 1355 395 126 ALA H H 7.85 0 1 1356 395 126 ALA HA H 4.22 0 1 1357 395 126 ALA HB H 1.44 0 1 1358 395 126 ALA C C 176.77 0 1 1359 395 126 ALA CA C 52.85 0 1 1360 395 126 ALA CB C 19.46 0 1 1361 395 126 ALA N N 118.6 0 1 1362 396 127 ASN H H 7.15 0 1 1363 396 127 ASN HA H 5.1 0 1 1364 396 127 ASN HB2 H 2.71 0 2 1365 396 127 ASN HB3 H 2.5 0 2 1366 396 127 ASN HD21 H 8.19 0 2 1367 396 127 ASN CA C 51.11 0 1 1368 396 127 ASN CB C 40.74 0 1 1369 396 127 ASN N N 115.84 0 1 1370 397 128 PRO HA H 4.75 0 1 1371 397 128 PRO HB2 H 2.37 0 2 1372 397 128 PRO HB3 H 2.05 0 2 1373 397 128 PRO HG2 H 2.13 0 2 1374 397 128 PRO HG3 H 2.04 0 2 1375 397 128 PRO HD2 H 3.68 0 2 1376 397 128 PRO HD3 H 3.48 0 2 1377 397 128 PRO C C 177.39 0 1 1378 397 128 PRO CA C 63.91 0 1 1379 397 128 PRO CB C 32.25 0 1 1380 398 129 ARG H H 8.3 0 1 1381 398 129 ARG HA H 3.53 0 1 1382 398 129 ARG HB2 H 2.28 0 2 1383 398 129 ARG HB3 H 2.26 0 2 1384 398 129 ARG HG2 H 1.57 0 2 1385 398 129 ARG HG3 H 1.57 0 2 1386 398 129 ARG HD2 H 3.24 0 2 1387 398 129 ARG HD3 H 3.19 0 2 1388 398 129 ARG C C 174.88 0 1 1389 398 129 ARG CA C 58.75 0 1 1390 398 129 ARG CB C 29.04 0 1 1391 398 129 ARG CG C 28.48 0 1 1392 398 129 ARG CD C 43.71 0 1 1393 398 129 ARG N N 111.56 0 1 1394 399 130 ARG H H 7.98 0 1 1395 399 130 ARG HA H 4.8 0 1 1396 399 130 ARG HB2 H 1.76 0 2 1397 399 130 ARG HB3 H 1.79 0 2 1398 399 130 ARG HG2 H 1.62 0 2 1399 399 130 ARG HG3 H 1.54 0 2 1400 399 130 ARG HD2 H 3.14 0 2 1401 399 130 ARG HD3 H 3.14 0 2 1402 399 130 ARG CA C 53.05 0 1 1403 399 130 ARG CB C 31.42 0 1 1404 399 130 ARG N N 120.84 0 1 1405 400 131 PRO HA H 4.81 0 1 1406 400 131 PRO HB2 H 1.9 0 2 1407 400 131 PRO HB3 H 1.74 0 2 1408 400 131 PRO HG2 H 2.29 0 2 1409 400 131 PRO HG3 H 2.05 0 2 1410 400 131 PRO HD2 H 3.72 0 2 1411 400 131 PRO HD3 H 3.72 0 2 1412 400 131 PRO C C 176.61 0 1 1413 400 131 PRO CA C 61.49 0 1 1414 400 131 PRO CB C 43.56 0 1 1415 400 131 PRO CG C 27.23 0 1 1416 401 132 ILE H H 9 0 1 1417 401 132 ILE HA H 4.53 0 1 1418 401 132 ILE HB H 2.02 0 1 1419 401 132 ILE HG12 H 1.66 0 2 1420 401 132 ILE HG13 H 1.21 0 2 1421 401 132 ILE HG2 H 0.95 0 1 1422 401 132 ILE HD1 H 0.69 0 1 1423 401 132 ILE C C 176.48 0 1 1424 401 132 ILE CA C 58.36 0 1 1425 401 132 ILE CB C 39.25 0 1 1426 401 132 ILE CG1 C 26 0 1 1427 401 132 ILE CG2 C 18 0 1 1428 401 132 ILE CD1 C 10.69 0 . 1429 401 132 ILE N N 123.9 0 1 1430 402 133 ALA H H 9.56 0 1 1431 402 133 ALA HA H 4.92 0 1 1432 402 133 ALA HB H 1.01 0 1 1433 402 133 ALA C C 175.26 0 1 1434 402 133 ALA CA C 51.09 0 1 1435 402 133 ALA CB C 20.36 0 1 1436 402 133 ALA N N 137.83 0 1 1437 403 134 GLN H H 7.62 0 1 1438 403 134 GLN HA H 4.02 0 1 1439 403 134 GLN HB2 H 0.69 0 2 1440 403 134 GLN HB3 H 0.71 0 2 1441 403 134 GLN HG2 H 2.14 0 2 1442 403 134 GLN HG3 H 1.66 0 2 1443 403 134 GLN HE21 H 6.52 0 2 1444 403 134 GLN HE22 H 6.45 0 2 1445 403 134 GLN C C 173.7 0 1 1446 403 134 GLN CA C 55.05 0 1 1447 403 134 GLN CB C 32.66 0 1 1448 403 134 GLN CG C 33.86 0 1 1449 403 134 GLN N N 119.73 0 1 1450 404 135 TRP H H 8.31 0 1 1451 404 135 TRP HA H 4.51 0 1 1452 404 135 TRP HB2 H 3.11 0 2 1453 404 135 TRP HB3 H 2.79 0 2 1454 404 135 TRP HD1 H 7.21 0 1 1455 404 135 TRP HE1 H 10.33 0 1 1456 404 135 TRP HE3 H 7.22 0 . 1457 404 135 TRP HZ2 H 7.64 0 . 1458 404 135 TRP C C 176.28 0 1 1459 404 135 TRP CA C 57.88 0 1 1460 404 135 TRP CB C 30.11 0 1 1461 404 135 TRP N N 123.42 0 1 1462 405 136 HIS H H 9.47 0 1 1463 405 136 HIS HA H 4.81 0 1 1464 405 136 HIS HB2 H 3.06 0 2 1465 405 136 HIS HB3 H 2.73 0 2 1466 405 136 HIS HD1 H 6.25 0 1 1467 405 136 HIS HE1 H 8.27 0 1 1468 405 136 HIS C C 173.49 0 1 1469 405 136 HIS CA C 55.16 0 1 1470 405 136 HIS CB C 33.41 0 1 1471 405 136 HIS N N 117.21 0 1 1472 406 137 THR H H 9.43 0 1 1473 406 137 THR HA H 4.84 0 1 1474 406 137 THR HB H 3.93 0 1 1475 406 137 THR HG2 H 1.35 0 1 1476 406 137 THR C C 174.35 0 1 1477 406 137 THR CA C 62.65 0 1 1478 406 137 THR CB C 70.33 0 1 1479 406 137 THR CG2 C 22.41 0 . 1480 406 137 THR N N 122.78 0 1 1481 407 138 LEU H H 8.73 0 1 1482 407 138 LEU HA H 3.91 0 1 1483 407 138 LEU HB2 H 0.85 0 2 1484 407 138 LEU HB3 H 1.81 0 2 1485 407 138 LEU HG H 1.41 0 1 1486 407 138 LEU HD1 H 0.44 0 2 1487 407 138 LEU HD2 H 0.55 0 2 1488 407 138 LEU C C 175.48 0 1 1489 407 138 LEU CA C 55.95 0 1 1490 407 138 LEU CB C 43.05 0 1 1491 407 138 LEU CG C 27.06 0 1 1492 407 138 LEU CD1 C 25.28 0 2 1493 407 138 LEU N N 124.89 0 1 1494 408 139 GLN H H 8.47 0 1 1495 408 139 GLN HA H 4.68 0 1 1496 408 139 GLN HB2 H 2.06 0 2 1497 408 139 GLN HB3 H 1.92 0 2 1498 408 139 GLN HG2 H 2.4 0 2 1499 408 139 GLN HG3 H 2.4 0 2 1500 408 139 GLN HE21 H 7.53 0 2 1501 408 139 GLN HE22 H 6.73 0 2 1502 408 139 GLN C C 175.1 0 1 1503 408 139 GLN CA C 53.83 0 1 1504 408 139 GLN CB C 32.15 0 1 1505 408 139 GLN CG C 33.74 0 1 1506 408 139 GLN N N 119.63 0 1 1507 409 140 VAL H H 8.41 0 1 1508 409 140 VAL HA H 3.85 0 1 1509 409 140 VAL HB H 2.02 0 1 1510 409 140 VAL HG1 H 1.1 0 2 1511 409 140 VAL HG2 H 1.13 0 2 1512 409 140 VAL C C 178.02 0 1 1513 409 140 VAL CA C 63.13 0 1 1514 409 140 VAL CB C 32.5 0 1 1515 409 140 VAL CG1 C 22.09 0 2 1516 409 140 VAL CG2 C 22.09 0 2 1517 409 140 VAL N N 119.82 0 1 1518 410 141 GLU H H 8.94 0 1 1519 410 141 GLU HA H 3.49 0 1 1520 410 141 GLU HB2 H 1.93 0 2 1521 410 141 GLU HB3 H 1.8 0 2 1522 410 141 GLU HG2 H 1.99 0 2 1523 410 141 GLU HG3 H 1.99 0 2 1524 410 141 GLU C C 176.85 0 1 1525 410 141 GLU CA C 60.61 0 1 1526 410 141 GLU CB C 29.53 0 1 1527 410 141 GLU CG C 35 0 1 1528 410 141 GLU N N 127.17 0 1 1529 411 142 GLU H H 9.07 0 1 1530 411 142 GLU HA H 3.95 0 1 1531 411 142 GLU HB2 H 1.92 0 2 1532 411 142 GLU HB3 H 1.92 0 2 1533 411 142 GLU HG2 H 2.27 0 2 1534 411 142 GLU HG3 H 2.24 0 2 1535 411 142 GLU C C 179.05 0 1 1536 411 142 GLU CA C 59.92 0 1 1537 411 142 GLU CB C 28.94 0 1 1538 411 142 GLU CG C 36.31 0 1 1539 411 142 GLU N N 115.78 0 1 1540 412 143 GLU H H 7.08 0 1 1541 412 143 GLU HA H 4.05 0 1 1542 412 143 GLU HB2 H 2.09 0 2 1543 412 143 GLU HB3 H 2.09 0 2 1544 412 143 GLU HG2 H 2.2 0 2 1545 412 143 GLU HG3 H 2.2 0 2 1546 412 143 GLU C C 178.87 0 1 1547 412 143 GLU CA C 58.59 0 1 1548 412 143 GLU CB C 29.19 0 1 1549 412 143 GLU CG C 36.31 0 1 1550 412 143 GLU N N 118.52 0 1 1551 413 144 VAL H H 7.55 0 1 1552 413 144 VAL HA H 3.68 0 1 1553 413 144 VAL HB H 1.67 0 1 1554 413 144 VAL HG1 H 0.86 0 2 1555 413 144 VAL HG2 H 0.9 0 2 1556 413 144 VAL C C 177.97 0 1 1557 413 144 VAL CA C 66.14 0 1 1558 413 144 VAL CB C 31.62 0 1 1559 413 144 VAL CG1 C 21.89 0 2 1560 413 144 VAL CG2 C 23.56 0 2 1561 413 144 VAL N N 121.11 0 1 1562 414 145 ASP H H 8.66 0 1 1563 414 145 ASP HA H 4.02 0 1 1564 414 145 ASP HB2 H 2.41 0 2 1565 414 145 ASP HB3 H 2.41 0 2 1566 414 145 ASP C C 178.91 0 1 1567 414 145 ASP CA C 57.62 0 1 1568 414 145 ASP CB C 38.69 0 1 1569 414 145 ASP N N 120.04 0 1 1570 415 146 ALA H H 7.27 0 1 1571 415 146 ALA HA H 4.02 0 1 1572 415 146 ALA HB H 1.37 0 1 1573 415 146 ALA C C 179.93 0 1 1574 415 146 ALA CA C 54.82 0 1 1575 415 146 ALA CB C 17.91 0 1 1576 415 146 ALA N N 121.01 0 1 1577 416 147 MET H H 7.41 0 1 1578 416 147 MET HA H 4.15 0 1 1579 416 147 MET HB2 H 2.31 0 2 1580 416 147 MET HB3 H 2.13 0 2 1581 416 147 MET HG2 H 2.78 0 2 1582 416 147 MET HG3 H 2.61 0 2 1583 416 147 MET HE H 2.32 0 . 1584 416 147 MET C C 177.99 0 1 1585 416 147 MET CA C 57.6 0 1 1586 416 147 MET CB C 33.14 0 1 1587 416 147 MET CG C 32.24 0 1 1588 416 147 MET CE C 18.07 0 1 1589 416 147 MET N N 116.98 0 1 1590 417 148 LEU H H 7.56 0 1 1591 417 148 LEU HA H 3.54 0 1 1592 417 148 LEU HB2 H 1.01 0 2 1593 417 148 LEU HB3 H 1.41 0 2 1594 417 148 LEU HG H 1.01 0 1 1595 417 148 LEU HD1 H 0.32 0 2 1596 417 148 LEU HD2 H -0.47 0 2 1597 417 148 LEU C C 176.81 0 1 1598 417 148 LEU CA C 55.67 0 1 1599 417 148 LEU CB C 42.65 0 1 1600 417 148 LEU CG C 26.12 0 1 1601 417 148 LEU CD1 C 25.96 0 2 1602 417 148 LEU CD2 C 21.34 0 2 1603 417 148 LEU N N 118.55 0 1 1604 418 149 ALA H H 7.08 0 1 1605 418 149 ALA HA H 4.01 0 1 1606 418 149 ALA HB H 1.22 0 1 1607 418 149 ALA C C 177.01 0 1 1608 418 149 ALA CA C 52.31 0 1 1609 418 149 ALA CB C 18.7 0 1 1610 418 149 ALA N N 119.94 0 1 1611 419 150 VAL H H 7.56 0 1 1612 419 150 VAL HA H 3.84 0 1 1613 419 150 VAL HB H 1.88 0 1 1614 419 150 VAL HG1 H 0.77 0 2 1615 419 150 VAL HG2 H 0.77 0 2 1616 419 150 VAL C C 175.76 0 1 1617 419 150 VAL CA C 62.93 0 1 1618 419 150 VAL CB C 32.45 0 1 1619 419 150 VAL CG1 C 22.3 0 2 1620 419 150 VAL CG2 C 21.19 0 2 1621 419 150 VAL N N 118.81 0 1 1622 420 151 LYS H H 8.29 0 1 1623 420 151 LYS HA H 4.26 0 1 1624 420 151 LYS HB2 H 1.71 0 2 1625 420 151 LYS HB3 H 1.6 0 2 1626 420 151 LYS HG2 H 1.31 0 2 1627 420 151 LYS HG3 H 1.31 0 2 1628 420 151 LYS HD2 H 1.65 0 2 1629 420 151 LYS HD3 H 1.65 0 2 1630 420 151 LYS HE2 H 2.83 0 2 1631 420 151 LYS HE3 H 2.83 0 2 1632 420 151 LYS C C 175.21 0 1 1633 420 151 LYS CA C 56.05 0 1 1634 420 151 LYS CB C 33.05 0 1 1635 420 151 LYS CG C 24.56 0 1 1636 420 151 LYS CD C 28.86 0 1 1637 420 151 LYS CE C 42.2 0 1 1638 420 151 LYS N N 126.62 0 1 1639 421 152 LYS H H 7.91 0 1 1640 421 152 LYS HA H 4.02 0 1 1641 421 152 LYS HB2 H 1.57 0 2 1642 421 152 LYS HB3 H 1.68 0 2 1643 421 152 LYS HG2 H 1.25 0 2 1644 421 152 LYS HG3 H 1.25 0 2 1645 421 152 LYS HD2 H 1.55 0 2 1646 421 152 LYS HD3 H 1.55 0 2 1647 421 152 LYS HE2 H 2.88 0 2 1648 421 152 LYS HE3 H 2.88 0 2 1649 421 152 LYS CA C 57.73 0 1 1650 421 152 LYS CB C 33.68 0 1 1651 421 152 LYS CG C 24.56 0 1 1652 421 152 LYS CD C 28.86 0 1 1653 421 152 LYS CE C 42.17 0 1 1654 421 152 LYS N N 128.57 0 1 stop_ save_