data_18265 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; WIP C-terminal domain ; _BMRB_accession_number 18265 _BMRB_flat_file_name bmr18265.str _Entry_type original _Submission_date 2012-02-15 _Accession_date 2012-02-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The C-terminal domain of WIP (residues 407-503), an intrinsically disordered protein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Novacek Jiri . . 2 Haba Noam . . 3 Shaked Hadassa . . 4 Chill Jordan H. . 5 Zidek Lukas . . 6 Sklenar Vladimir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 309 "13C chemical shifts" 325 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-29 original BMRB . stop_ _Original_release_date 2012-02-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR determines transient structure and dynamics in the disordered C-terminal domain of WASp interacting protein. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23870269 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Haba Noam Y. . 2 Gross Renana . . 3 Novacek Jiri . . 4 Shaked Hadassa . . 5 Zidek Lukas . . 6 Barda-Saad Mira . . 7 Chill Jordan H. . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_name_full 'Biophysical journal' _Journal_volume 105 _Journal_issue 2 _Journal_ISSN 1542-0086 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 481 _Page_last 493 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'WIP C-terminal domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label WIPc $WIPc stop_ _System_molecular_weight 12841.0 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_WIPc _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common WIPc _Molecular_mass 12841.0 _Mol_thiol_state 'all free' loop_ _Biological_function 'Binding partner of the Wiskott-Aldrich Syndrome protein (WASp)' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSSHHHHHHVDSPRSGPRPP LPPDRPSAGAPPPPPPSTSI RNGFQDSPCEDEWESRFYFH PISDLPPPEPYVQTTKSYPS KLARNESRSSSNRRERGAPP LPPIPRLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 398 GLY 2 399 SER 3 400 SER 4 401 HIS 5 402 HIS 6 403 HIS 7 404 HIS 8 405 HIS 9 406 HIS 10 407 VAL 11 408 ASP 12 409 SER 13 410 PRO 14 411 ARG 15 412 SER 16 413 GLY 17 414 PRO 18 415 ARG 19 416 PRO 20 417 PRO 21 418 LEU 22 419 PRO 23 420 PRO 24 421 ASP 25 422 ARG 26 423 PRO 27 424 SER 28 425 ALA 29 426 GLY 30 427 ALA 31 428 PRO 32 429 PRO 33 430 PRO 34 431 PRO 35 432 PRO 36 433 PRO 37 434 SER 38 435 THR 39 436 SER 40 437 ILE 41 438 ARG 42 439 ASN 43 440 GLY 44 441 PHE 45 442 GLN 46 443 ASP 47 444 SER 48 445 PRO 49 446 CYS 50 447 GLU 51 448 ASP 52 449 GLU 53 450 TRP 54 451 GLU 55 452 SER 56 453 ARG 57 454 PHE 58 455 TYR 59 456 PHE 60 457 HIS 61 458 PRO 62 459 ILE 63 460 SER 64 461 ASP 65 462 LEU 66 463 PRO 67 464 PRO 68 465 PRO 69 466 GLU 70 467 PRO 71 468 TYR 72 469 VAL 73 470 GLN 74 471 THR 75 472 THR 76 473 LYS 77 474 SER 78 475 TYR 79 476 PRO 80 477 SER 81 478 LYS 82 479 LEU 83 480 ALA 84 481 ARG 85 482 ASN 86 483 GLU 87 484 SER 88 485 ARG 89 486 SER 90 487 GLY 91 488 SER 92 489 ASN 93 490 ARG 94 491 ARG 95 492 GLU 96 493 ARG 97 494 GLY 98 495 ALA 99 496 PRO 100 497 PRO 101 498 LEU 102 499 PRO 103 500 PRO 104 501 ILE 105 502 PRO 106 503 ARG 107 504 LEU 108 505 GLU 109 506 HIS 110 507 HIS 111 508 HIS 112 509 HIS 113 510 HIS 114 511 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $WIPc Human 9606 Eukaryota Metazoa Homo sapiens 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 $WIPc 'recombinant technology' . Escherichia coli BL21 pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '13C,15N-labeled WIPc' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $WIPc 1.0 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' D2O 10 % '[U-99% 2H]' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . Goddard . . stop_ loop_ _Task collection 'peak picking' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_CON_1 _Saveframe_category NMR_applied_experiment _Experiment_name CON _Sample_label $sample_1 save_ save_3D_C_CANCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C_CANCO' _Sample_label $sample_1 save_ save_3D_C_CBCACON_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C_CBCACON' _Sample_label $sample_1 save_ save_3D_C_CBCANCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C_CBCANCO' _Sample_label $sample_1 save_ save_5D_C_CACONCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '5D C_CACONCACO' _Sample_label $sample_1 save_ save_5D_C_NCOCANCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '5D C_NCOCANCO' _Sample_label $sample_1 save_ save_4D_C_HabCabCON_7 _Saveframe_category NMR_applied_experiment _Experiment_name '4D C_HabCabCON' _Sample_label $sample_1 save_ save_4D_C_HabCabNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D C_HabCabNCO' _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' 0.06 2 M pH 5.1 0.1 pH pressure 1 . atm temperature 298 1 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.00 na direct . . . 1 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 '3D C_CBCACON' '3D C_CBCANCO' '5D C_CACONCACO' '5D C_NCOCANCO' '4D C_HabCabCON' '4D C_HabCabNCO' 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 WIPc _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 1 398 1 GLY HA2 H 3.896 0.004 1 2 398 1 GLY HA3 H 3.896 0.004 1 3 398 1 GLY C C 170.321 0.004 1 4 398 1 GLY CA C 43.405 0.08 1 5 398 1 GLY N N 115.675 0.04 1 6 399 2 SER HA H 4.541 0.004 1 7 399 2 SER HB2 H 3.827 0.004 1 8 399 2 SER HB3 H 3.827 0.004 1 9 399 2 SER C C 174.567 0.001 1 10 399 2 SER CA C 58.214 0.036 1 11 399 2 SER CB C 64.059 0.08 1 12 399 2 SER N N 115.626 0.004 1 13 400 3 SER HA H 4.389 0.004 1 14 400 3 SER HB2 H 3.767 0.004 1 15 400 3 SER HB3 H 3.767 0.004 1 16 400 3 SER C C 174.334 0.011 1 17 400 3 SER CA C 58.385 0.064 1 18 400 3 SER CB C 63.751 0.08 1 19 400 3 SER N N 117.945 0.02 1 20 401 4 HIS C C 174.229 0.08 1 21 401 4 HIS CA C 55.279 0.08 1 22 401 4 HIS N N 120.297 0.006 1 23 405 8 HIS HA H 4.654 0.004 1 24 405 8 HIS HB2 H 3.136 0.004 1 25 405 8 HIS HB3 H 3.136 0.004 1 26 405 8 HIS C C 174.036 0.023 1 27 405 8 HIS CA C 55.522 0.036 1 28 405 8 HIS CB C 29.479 0.08 1 29 405 8 HIS N N 121.076 0.04 1 30 406 9 HIS HA H 4.596 0.004 1 31 406 9 HIS HB2 H 3.138 0.004 1 32 406 9 HIS HB3 H 3.138 0.004 1 33 406 9 HIS C C 173.992 0.028 1 34 406 9 HIS CA C 55.876 0.014 1 35 406 9 HIS CB C 29.395 0.08 1 36 406 9 HIS N N 122.004 0.05 1 37 407 10 VAL HA H 4.067 0.004 1 38 407 10 VAL HB H 1.948 0.004 1 39 407 10 VAL C C 175.344 0.005 1 40 407 10 VAL CA C 61.863 0.012 1 41 407 10 VAL CB C 33.084 0.08 1 42 407 10 VAL N N 123.363 0.08 1 43 408 11 ASP HA H 4.654 0.004 1 44 408 11 ASP HB2 H 2.646 0.004 1 45 408 11 ASP HB3 H 2.562 0.004 1 46 408 11 ASP C C 175.802 0.002 1 47 408 11 ASP CA C 54.298 0.034 1 48 408 11 ASP CB C 41.473 0.08 1 49 408 11 ASP N N 125.228 0.054 1 50 409 12 SER HA H 4.706 0.004 1 51 409 12 SER HB2 H 3.803 0.004 1 52 409 12 SER HB3 H 3.803 0.004 1 53 409 12 SER C C 172.622 0.002 1 54 409 12 SER CA C 56.472 0.013 1 55 409 12 SER CB C 63.338 0.08 1 56 409 12 SER N N 117.7 0.048 1 57 410 13 PRO HA H 4.43 0.004 1 58 410 13 PRO HB2 H 2.271 0.004 1 59 410 13 PRO HB3 H 1.872 0.004 1 60 410 13 PRO C C 177.021 0.001 1 61 410 13 PRO CA C 63.346 0.017 1 62 410 13 PRO CB C 32.071 0.025 1 63 410 13 PRO N N 138.047 0.011 1 64 411 14 ARG HA H 4.337 0.004 1 65 411 14 ARG HB2 H 1.827 0.004 1 66 411 14 ARG HB3 H 1.827 0.004 1 67 411 14 ARG C C 176.384 0.004 1 68 411 14 ARG CA C 56.18 0.016 1 69 411 14 ARG CB C 30.764 0.08 1 70 411 14 ARG N N 121.431 0.024 1 71 412 15 SER HA H 4.522 0.004 1 72 412 15 SER HB2 H 3.864 0.004 1 73 412 15 SER HB3 H 3.864 0.004 1 74 412 15 SER C C 174.49 0.002 1 75 412 15 SER CA C 58.193 0.013 1 76 412 15 SER CB C 64.128 0.08 1 77 412 15 SER N N 116.905 0.045 1 78 413 16 GLY HA2 H 4.095 0.004 1 79 413 16 GLY HA3 H 4.095 0.004 1 80 413 16 GLY C C 171.495 0.002 1 81 413 16 GLY CA C 44.598 0.003 1 82 413 16 GLY N N 110.716 0.047 1 83 414 17 PRO HA H 4.422 0.004 1 84 414 17 PRO HB2 H 2.225 0.004 1 85 414 17 PRO HB3 H 1.853 0.004 1 86 414 17 PRO C C 176.917 0.001 1 87 414 17 PRO CA C 62.988 0.006 1 88 414 17 PRO CB C 32.199 0.087 1 89 414 17 PRO N N 134.265 0.024 1 90 415 18 ARG HA H 4.559 0.004 1 91 415 18 ARG HB2 H 1.688 0.004 1 92 415 18 ARG HB3 H 1.688 0.004 1 93 415 18 ARG C C 173.888 0.005 1 94 415 18 ARG CA C 53.897 0.034 1 95 415 18 ARG CB C 30.145 0.08 1 96 415 18 ARG N N 122.792 0.018 1 97 416 19 PRO HA H 4.652 0.004 1 98 416 19 PRO HB2 H 2.316 0.004 1 99 416 19 PRO HB3 H 1.847 0.004 1 100 416 19 PRO C C 174.588 0.001 1 101 416 19 PRO CA C 61.481 0.021 1 102 416 19 PRO CB C 30.872 0.033 1 103 416 19 PRO N N 138.617 0.006 1 104 417 20 PRO HA H 4.395 0.004 1 105 417 20 PRO HB2 H 2.215 0.004 1 106 417 20 PRO HB3 H 1.859 0.004 1 107 417 20 PRO C C 176.651 0.01 1 108 417 20 PRO CA C 62.723 0.011 1 109 417 20 PRO CB C 31.96 0.017 1 110 417 20 PRO N N 134.953 0.015 1 111 418 21 LEU HA H 4.549 0.004 1 112 418 21 LEU HB2 H 1.509 0.004 1 113 418 21 LEU HB3 H 1.509 0.004 1 114 418 21 LEU C C 174.943 0.08 1 115 418 21 LEU CA C 52.911 0.037 1 116 418 21 LEU CB C 41.713 0.08 1 117 418 21 LEU N N 123.581 0.01 1 118 419 22 PRO HA H 4.667 0.004 1 119 419 22 PRO HB2 H 2.316 0.004 1 120 419 22 PRO HB3 H 1.872 0.004 1 121 419 22 PRO C C 174.938 0.002 1 122 419 22 PRO CA C 61.472 0.026 1 123 419 22 PRO CB C 30.846 0.009 1 124 419 22 PRO N N 137.432 0.015 1 125 420 23 PRO HA H 4.42 0.004 1 126 420 23 PRO HB2 H 2.256 0.004 1 127 420 23 PRO HB3 H 1.897 0.004 1 128 420 23 PRO C C 176.649 0.001 1 129 420 23 PRO CA C 63.02 0.024 1 130 420 23 PRO CB C 31.965 0.039 1 131 420 23 PRO N N 134.863 0.002 1 132 421 24 ASP HA H 4.534 0.004 1 133 421 24 ASP HB2 H 2.609 0.004 1 134 421 24 ASP HB3 H 2.609 0.004 1 135 421 24 ASP C C 175.793 0.01 1 136 421 24 ASP CA C 54.193 0.028 1 137 421 24 ASP CB C 40.962 0.08 1 138 421 24 ASP N N 120.016 0.017 1 139 422 25 ARG HA H 4.607 0.004 1 140 422 25 ARG HB2 H 1.734 0.004 1 141 422 25 ARG HB3 H 1.734 0.004 1 142 422 25 ARG C C 174.024 0.002 1 143 422 25 ARG CA C 53.764 0.015 1 144 422 25 ARG CB C 30.338 0.08 1 145 422 25 ARG N N 121.51 0.034 1 146 423 26 PRO HA H 4.446 0.004 1 147 423 26 PRO HB2 H 2.312 0.004 1 148 423 26 PRO HB3 H 1.904 0.004 1 149 423 26 PRO C C 177.069 0.001 1 150 423 26 PRO CA C 63.241 0.014 1 151 423 26 PRO CB C 32.163 0.007 1 152 423 26 PRO N N 137.08 0.04 1 153 424 27 SER HA H 4.374 0.004 1 154 424 27 SER HB2 H 3.853 0.004 1 155 424 27 SER HB3 H 3.853 0.004 1 156 424 27 SER C C 174.486 0.08 1 157 424 27 SER CA C 58.364 0.025 1 158 424 27 SER CB C 63.871 0.08 1 159 424 27 SER N N 116.292 0.038 1 160 425 28 ALA HA H 4.342 0.004 1 161 425 28 ALA HB H 1.4 0.004 1 162 425 28 ALA C C 178.056 0.001 1 163 425 28 ALA CA C 52.73 0.015 1 164 425 28 ALA CB C 19.289 0.08 1 165 425 28 ALA N N 126.09 0.017 1 166 426 29 GLY HA2 H 3.909 0.004 1 167 426 29 GLY HA3 H 3.909 0.004 1 168 426 29 GLY C C 173.348 0.001 1 169 426 29 GLY CA C 44.959 0.006 1 170 426 29 GLY N N 108.198 0.051 1 171 427 30 ALA HA H 4.559 0.004 1 172 427 30 ALA HB H 1.307 0.004 1 173 427 30 ALA C C 175.113 0.016 1 174 427 30 ALA CA C 50.402 0.015 1 175 427 30 ALA CB C 18.218 0.08 1 176 427 30 ALA N N 124.871 0.013 1 177 428 31 PRO HA H 4.636 0.004 1 178 428 31 PRO HB2 H 2.265 0.004 1 179 428 31 PRO HB3 H 1.822 0.004 1 180 428 31 PRO C C 174.253 0.002 1 181 428 31 PRO CA C 61.335 0.012 1 182 428 31 PRO CB C 30.699 0.061 1 183 428 31 PRO N N 137.243 0.008 1 184 429 32 PRO HA H 4.677 0.004 1 185 429 32 PRO HB2 H 2.305 0.004 1 186 429 32 PRO HB3 H 1.869 0.004 1 187 429 32 PRO C C 174.221 0.002 1 188 429 32 PRO CA C 61.248 0.032 1 189 429 32 PRO CB C 30.612 0.008 1 190 429 32 PRO N N 136.661 0.037 1 191 430 33 PRO HA H 4.684 0.004 1 192 430 33 PRO HB2 H 2.305 0.004 1 193 430 33 PRO HB3 H 1.871 0.004 1 194 430 33 PRO C C 174.257 0.004 1 195 430 33 PRO CA C 61.215 0.035 1 196 430 33 PRO CB C 30.615 0.02 1 197 430 33 PRO N N 136.327 0.005 1 198 431 34 PRO HA H 4.694 0.004 1 199 431 34 PRO HB2 H 2.311 0.004 1 200 431 34 PRO HB3 H 1.877 0.004 1 201 431 34 PRO C C 174.267 0.002 1 202 431 34 PRO CA C 61.221 0.015 1 203 431 34 PRO CB C 30.619 0.026 1 204 431 34 PRO N N 136.305 0.03 1 205 432 35 PRO HA H 4.675 0.004 1 206 432 35 PRO HB2 H 2.318 0.004 1 207 432 35 PRO HB3 H 1.86 0.004 1 208 432 35 PRO C C 174.853 0.001 1 209 432 35 PRO CA C 61.25 0.051 1 210 432 35 PRO CB C 30.718 0.036 1 211 432 35 PRO N N 136.205 0.022 1 212 433 36 PRO HA H 4.445 0.004 1 213 433 36 PRO HB2 H 2.307 0.004 1 214 433 36 PRO HB3 H 1.925 0.004 1 215 433 36 PRO C C 177.18 0.001 1 216 433 36 PRO CA C 63.05 0.017 1 217 433 36 PRO CB C 32.087 0.08 1 218 433 36 PRO N N 135.236 0.004 1 219 434 37 SER HA H 4.463 0.004 1 220 434 37 SER HB2 H 3.903 0.004 1 221 434 37 SER HB3 H 3.903 0.004 1 222 434 37 SER C C 175.092 0.013 1 223 434 37 SER CA C 58.489 0.014 1 224 434 37 SER CB C 63.753 0.08 1 225 434 37 SER N N 115.996 0.038 1 226 435 38 THR HA H 4.38 0.004 1 227 435 38 THR HB H 4.28 0.004 1 228 435 38 THR C C 174.585 0.005 1 229 435 38 THR CA C 61.928 0.009 1 230 435 38 THR CB C 69.689 0.08 1 231 435 38 THR N N 115.258 0.035 1 232 436 39 SER HA H 4.476 0.004 1 233 436 39 SER HB2 H 3.828 0.004 1 234 436 39 SER HB3 H 3.828 0.004 1 235 436 39 SER C C 174.396 0.01 1 236 436 39 SER CA C 58.479 0.044 1 237 436 39 SER CB C 63.852 0.08 1 238 436 39 SER N N 117.901 0.026 1 239 437 40 ILE HA H 4.143 0.004 1 240 437 40 ILE HB H 1.837 0.004 1 241 437 40 ILE C C 176.228 0.005 1 242 437 40 ILE CA C 61.332 0.002 1 243 437 40 ILE CB C 38.586 0.08 1 244 437 40 ILE N N 122.723 0.028 1 245 438 41 ARG HA H 4.34 0.004 1 246 438 41 ARG HB2 H 1.77 0.004 1 247 438 41 ARG HB3 H 1.77 0.004 1 248 438 41 ARG C C 175.899 0.003 1 249 438 41 ARG CA C 55.995 0.011 1 250 438 41 ARG CB C 30.775 0.08 1 251 438 41 ARG N N 124.982 0.02 1 252 439 42 ASN HA H 4.674 0.004 1 253 439 42 ASN HB2 H 2.764 0.004 1 254 439 42 ASN HB3 H 2.764 0.004 1 255 439 42 ASN C C 175.565 0.003 1 256 439 42 ASN CA C 53.448 0.042 1 257 439 42 ASN CB C 38.98 0.08 1 258 439 42 ASN N N 120.34 0.029 1 259 440 43 GLY HA2 H 3.864 0.004 1 260 440 43 GLY HA3 H 3.864 0.004 1 261 440 43 GLY C C 173.938 0.001 1 262 440 43 GLY CA C 45.397 0.002 1 263 440 43 GLY N N 109.255 0.051 1 264 441 44 PHE HA H 4.611 0.004 1 265 441 44 PHE HB2 H 3.081 0.004 1 266 441 44 PHE HB3 H 3.081 0.004 1 267 441 44 PHE C C 175.728 0.008 1 268 441 44 PHE CA C 57.896 0.001 1 269 441 44 PHE CB C 39.552 0.08 1 270 441 44 PHE N N 119.774 0.018 1 271 442 45 GLN HA H 4.284 0.004 1 272 442 45 GLN HB2 H 1.966 0.004 1 273 442 45 GLN HB3 H 1.966 0.004 1 274 442 45 GLN C C 175.22 0.004 1 275 442 45 GLN CA C 55.865 0.013 1 276 442 45 GLN CB C 29.591 0.08 1 277 442 45 GLN N N 121.617 0.063 1 278 443 46 ASP HA H 4.595 0.004 1 279 443 46 ASP HB2 H 2.659 0.004 1 280 443 46 ASP HB3 H 2.659 0.004 1 281 443 46 ASP C C 175.725 0.023 1 282 443 46 ASP CA C 54.26 0.02 1 283 443 46 ASP CB C 41.168 0.08 1 284 443 46 ASP N N 121.388 0.008 1 285 444 47 SER HA H 4.755 0.004 1 286 444 47 SER HB2 H 3.846 0.004 1 287 444 47 SER HB3 H 3.846 0.004 1 288 444 47 SER C C 172.655 0.014 1 289 444 47 SER CA C 56.299 0.07 1 290 444 47 SER CB C 63.521 0.08 1 291 444 47 SER N N 116.743 0.053 1 292 445 48 PRO HA H 4.426 0.004 1 293 445 48 PRO HB2 H 2.256 0.004 1 294 445 48 PRO HB3 H 1.885 0.004 1 295 445 48 PRO C C 176.86 0.014 1 296 445 48 PRO CA C 63.412 0.002 1 297 445 48 PRO CB C 32.169 0.087 1 298 445 48 PRO N N 137.659 0.04 1 299 446 49 CYS HA H 4.381 0.004 1 300 446 49 CYS HB2 H 2.836 0.004 1 301 446 49 CYS HB3 H 2.836 0.004 1 302 446 49 CYS C C 174.768 0.029 1 303 446 49 CYS CA C 58.617 0.4 1 304 446 49 CYS CB C 28.12 0.08 1 305 446 49 CYS N N 119.258 0.018 1 306 447 50 GLU HA H 4.212 0.01 1 307 447 50 GLU HB2 H 1.992 0.004 1 308 447 50 GLU HB3 H 1.941 0.004 1 309 447 50 GLU C C 176.185 0.003 1 310 447 50 GLU CA C 57.005 0.058 1 311 447 50 GLU CB C 30.139 0.004 1 312 447 50 GLU N N 123.423 0.109 1 313 448 51 ASP HA H 4.572 0.004 1 314 448 51 ASP HB2 H 2.629 0.004 1 315 448 51 ASP HB3 H 2.629 0.004 1 316 448 51 ASP C C 176.611 0.004 1 317 448 51 ASP CA C 54.747 0.111 1 318 448 51 ASP CB C 41.022 0.08 1 319 448 51 ASP N N 120.444 0.008 1 320 449 52 GLU HA H 4.173 0.004 1 321 449 52 GLU HB2 H 1.91 0.004 1 322 449 52 GLU HB3 H 1.91 0.004 1 323 449 52 GLU C C 176.904 0.008 1 324 449 52 GLU CA C 57.489 0.12 1 325 449 52 GLU CB C 29.588 0.08 1 326 449 52 GLU N N 121.058 0.018 1 327 450 53 TRP HA H 4.51 0.004 1 328 450 53 TRP HB2 H 3.284 0.004 1 329 450 53 TRP HB3 H 3.284 0.004 1 330 450 53 TRP C C 177.094 0.08 1 331 450 53 TRP CA C 58.407 0.08 1 332 450 53 TRP CB C 29.568 0.08 1 333 450 53 TRP N N 121.037 0.04 1 334 451 54 GLU HA H 4.033 0.004 1 335 451 54 GLU HB2 H 1.931 0.004 1 336 451 54 GLU HB3 H 1.931 0.004 1 337 451 54 GLU C C 177.1 0.08 1 338 451 54 GLU CA C 57.874 0.08 1 339 451 54 GLU CB C 29.894 0.08 1 340 451 54 GLU N N 120.088 0.04 1 341 452 55 SER HA H 4.266 0.012 1 342 452 55 SER HB2 H 3.849 0.002 1 343 452 55 SER HB3 H 3.849 0.002 1 344 452 55 SER C C 175.222 0.08 1 345 452 55 SER CA C 59.471 0.008 1 346 452 55 SER CB C 63.48 0.062 1 347 452 55 SER N N 114.867 0.04 1 348 453 56 ARG HA H 4.106 0.004 1 349 453 56 ARG HB2 H 2.407 0.004 1 350 453 56 ARG HB3 H 2.175 0.004 1 351 453 56 ARG C C 176.245 0.08 1 352 453 56 ARG CA C 56.864 0.08 1 353 453 56 ARG CB C 30.39 0.047 1 354 453 56 ARG N N 121.177 0.04 1 355 454 57 PHE HA H 4.454 0.004 1 356 454 57 PHE HB2 H 2.971 0.004 1 357 454 57 PHE HB3 H 2.75 0.004 1 358 454 57 PHE C C 175.334 0.08 1 359 454 57 PHE CA C 58.155 0.08 1 360 454 57 PHE CB C 39.453 0.075 1 361 454 57 PHE N N 118.766 0.04 1 362 455 58 TYR HA H 4.449 0.004 1 363 455 58 TYR HB2 H 2.865 0.004 1 364 455 58 TYR HB3 H 2.865 0.004 1 365 455 58 TYR C C 174.982 0.08 1 366 455 58 TYR CA C 57.678 0.08 1 367 455 58 TYR CB C 38.768 0.08 1 368 455 58 TYR N N 119.773 0.04 1 369 456 59 PHE HA H 4.485 0.004 1 370 456 59 PHE HB2 H 2.961 0.004 1 371 456 59 PHE HB3 H 2.961 0.004 1 372 456 59 PHE C C 174.675 0.08 1 373 456 59 PHE CA C 57.73 0.08 1 374 456 59 PHE CB C 39.752 0.08 1 375 456 59 PHE N N 121.27 0.04 1 376 457 60 HIS HA H 4.777 0.004 1 377 457 60 HIS HB2 H 2.989 0.004 1 378 457 60 HIS HB3 H 2.989 0.004 1 379 457 60 HIS C C 171.505 0.01 1 380 457 60 HIS CA C 52.906 0.038 1 381 457 60 HIS CB C 28.861 0.08 1 382 457 60 HIS N N 121.767 0.028 1 383 458 61 PRO HA H 4.343 0.004 1 384 458 61 PRO HB2 H 2.23 0.004 1 385 458 61 PRO HB3 H 1.871 0.004 1 386 458 61 PRO C C 176.941 0.003 1 387 458 61 PRO CA C 63.114 0.029 1 388 458 61 PRO CB C 32.05 0.001 1 389 458 61 PRO N N 136.606 0.017 1 390 459 62 ILE HA H 4.146 0.004 1 391 459 62 ILE HB H 1.852 0.004 1 392 459 62 ILE C C 176.341 0.08 1 393 459 62 ILE CA C 61.471 0.022 1 394 459 62 ILE CB C 38.691 0.08 1 395 459 62 ILE N N 121.024 0.03 1 396 460 63 SER HA H 4.452 0.004 1 397 460 63 SER HB2 H 3.833 0.004 1 398 460 63 SER HB3 H 3.833 0.004 1 399 460 63 SER C C 174.017 0.08 1 400 460 63 SER CA C 58.161 0.03 1 401 460 63 SER CB C 64.069 0.08 1 402 460 63 SER N N 118.707 0.037 1 403 461 64 ASP HA H 4.615 0.004 1 404 461 64 ASP HB2 H 2.628 0.004 1 405 461 64 ASP HB3 H 2.628 0.004 1 406 461 64 ASP C C 175.564 0.014 1 407 461 64 ASP CA C 54.204 0.062 1 408 461 64 ASP CB C 40.918 0.08 1 409 461 64 ASP N N 122.415 0.011 1 410 462 65 LEU HA H 4.565 0.004 1 411 462 65 LEU HB2 H 1.515 0.004 1 412 462 65 LEU HB3 H 1.515 0.004 1 413 462 65 LEU C C 174.701 0.002 1 414 462 65 LEU CA C 52.994 0.021 1 415 462 65 LEU CB C 41.827 0.08 1 416 462 65 LEU N N 123.182 0.026 1 417 463 66 PRO HA H 4.643 0.004 1 418 463 66 PRO HB2 H 2.28 0.004 1 419 463 66 PRO HB3 H 1.842 0.004 1 420 463 66 PRO C C 174.208 0.006 1 421 463 66 PRO CA C 61.334 0.021 1 422 463 66 PRO CB C 30.632 0.011 1 423 463 66 PRO N N 137.755 0.008 1 424 464 67 PRO HA H 4.661 0.004 1 425 464 67 PRO HB2 H 2.32 0.004 1 426 464 67 PRO HB3 H 1.874 0.004 1 427 464 67 PRO C C 174.797 0.017 1 428 464 67 PRO CA C 61.232 0.005 1 429 464 67 PRO CB C 30.794 0.007 1 430 464 67 PRO N N 136.449 0.035 1 431 465 68 PRO HA H 4.366 0.004 1 432 465 68 PRO HB2 H 2.258 0.004 1 433 465 68 PRO HB3 H 1.833 0.004 1 434 465 68 PRO C C 176.682 0.008 1 435 465 68 PRO CA C 62.993 0.173 1 436 465 68 PRO CB C 32.096 0.005 1 437 465 68 PRO N N 134.859 0.03 1 438 466 69 GLU HA H 4.517 0.004 1 439 466 69 GLU HB2 H 1.954 0.004 1 440 466 69 GLU HB3 H 1.814 0.004 1 441 466 69 GLU C C 174.671 0.014 1 442 466 69 GLU CA C 54.197 0.057 1 443 466 69 GLU CB C 29.645 0.03 1 444 466 69 GLU N N 121.576 0.013 1 445 467 70 PRO HA H 4.336 0.004 1 446 467 70 PRO HB2 H 2.181 0.004 1 447 467 70 PRO HB3 H 1.78 0.004 1 448 467 70 PRO C C 176.501 0.01 1 449 467 70 PRO CA C 63.31 0.028 1 450 467 70 PRO CB C 31.826 0.051 1 451 467 70 PRO N N 136.373 0.008 1 452 468 71 TYR HA H 4.529 0.004 1 453 468 71 TYR HB2 H 2.984 0.004 1 454 468 71 TYR HB3 H 2.984 0.004 1 455 468 71 TYR C C 175.621 0.018 1 456 468 71 TYR CA C 57.876 0.004 1 457 468 71 TYR CB C 38.561 0.08 1 458 468 71 TYR N N 120.081 0.057 1 459 469 72 VAL HA H 4.005 0.004 1 460 469 72 VAL HB H 1.952 0.004 1 461 469 72 VAL C C 175.485 0.08 1 462 469 72 VAL CA C 62.06 0.005 1 463 469 72 VAL CB C 33.01 0.08 1 464 469 72 VAL N N 123.172 0.04 1 465 470 73 GLN HA H 4.322 0.004 1 466 470 73 GLN HB2 H 2.081 0.004 1 467 470 73 GLN HB3 H 1.981 0.004 1 468 470 73 GLN C C 176.156 0.002 1 469 470 73 GLN CA C 56 0.04 1 470 470 73 GLN CB C 29.481 0.08 1 471 470 73 GLN N N 124.509 0.034 1 472 471 74 THR HA H 4.388 0.004 1 473 471 74 THR HB H 4.253 0.004 1 474 471 74 THR C C 174.743 0.003 1 475 471 74 THR CA C 61.931 0.016 1 476 471 74 THR CB C 69.882 0.08 1 477 471 74 THR N N 115.924 0.057 1 478 472 75 THR HA H 4.325 0.004 1 479 472 75 THR HB H 4.216 0.004 1 480 472 75 THR C C 174.446 0.001 1 481 472 75 THR CA C 62.028 0.022 1 482 472 75 THR CB C 69.855 0.08 1 483 472 75 THR N N 116.37 0.05 1 484 473 76 LYS HA H 4.291 0.004 1 485 473 76 LYS HB2 H 1.716 0.004 1 486 473 76 LYS HB3 H 1.716 0.004 1 487 473 76 LYS C C 176.079 0.001 1 488 473 76 LYS CA C 56.297 0.007 1 489 473 76 LYS CB C 33.081 0.08 1 490 473 76 LYS N N 123.776 0.04 1 491 474 77 SER HA H 4.406 0.004 1 492 474 77 SER HB2 H 3.728 0.004 1 493 474 77 SER HB3 H 3.728 0.004 1 494 474 77 SER C C 173.434 0.003 1 495 474 77 SER CA C 57.908 0.036 1 496 474 77 SER CB C 64.031 0.08 1 497 474 77 SER N N 116.682 0.04 1 498 475 78 TYR HA H 4.768 0.004 1 499 475 78 TYR HB2 H 3.042 0.004 1 500 475 78 TYR HB3 H 2.802 0.004 1 501 475 78 TYR C C 174.023 0.003 1 502 475 78 TYR CA C 55.992 0.068 1 503 475 78 TYR CB C 38.484 0.035 1 504 475 78 TYR N N 122.899 0.024 1 505 476 79 PRO HA H 4.436 0.004 1 506 476 79 PRO HB2 H 2.247 0.004 1 507 476 79 PRO HB3 H 1.923 0.004 1 508 476 79 PRO C C 176.931 0.002 1 509 476 79 PRO CA C 63.363 0.007 1 510 476 79 PRO CB C 31.975 0.081 1 511 476 79 PRO N N 137.179 0.013 1 512 477 80 SER HA H 4.405 0.004 1 513 477 80 SER HB2 H 3.863 0.004 1 514 477 80 SER HB3 H 3.863 0.004 1 515 477 80 SER C C 174.876 0.007 1 516 477 80 SER CA C 58.55 0.058 1 517 477 80 SER CB C 63.824 0.08 1 518 477 80 SER N N 116.149 0.039 1 519 478 81 LYS HA H 4.259 0.004 1 520 478 81 LYS HB2 H 1.797 0.004 1 521 478 81 LYS HB3 H 1.797 0.004 1 522 478 81 LYS C C 176.508 0.001 1 523 478 81 LYS CA C 56.709 0.001 1 524 478 81 LYS CB C 32.855 0.08 1 525 478 81 LYS N N 123.227 0.038 1 526 479 82 LEU HA H 4.312 0.004 1 527 479 82 LEU HB2 H 1.573 0.004 1 528 479 82 LEU HB3 H 1.573 0.004 1 529 479 82 LEU C C 177.071 0.08 1 530 479 82 LEU CA C 55.131 0.039 1 531 479 82 LEU CB C 42.392 0.08 1 532 479 82 LEU N N 122.549 0.037 1 533 480 83 ALA HA H 4.283 0.004 1 534 480 83 ALA HB H 1.378 0.004 1 535 480 83 ALA C C 177.711 0.004 1 536 480 83 ALA CA C 52.526 0.025 1 537 480 83 ALA CB C 19.204 0.08 1 538 480 83 ALA N N 125.176 0.028 1 539 481 84 ARG HA H 4.268 0.004 1 540 481 84 ARG HB2 H 1.796 0.004 1 541 481 84 ARG HB3 H 1.796 0.004 1 542 481 84 ARG C C 176.163 0.003 1 543 481 84 ARG CA C 56.266 0.005 1 544 481 84 ARG CB C 30.8 0.08 1 545 481 84 ARG N N 120.216 0.039 1 546 482 85 ASN HA H 4.684 0.004 1 547 482 85 ASN HB2 H 2.779 0.004 1 548 482 85 ASN HB3 H 2.779 0.004 1 549 482 85 ASN C C 175.296 0.003 1 550 482 85 ASN CA C 53.398 0.002 1 551 482 85 ASN CB C 38.774 0.08 1 552 482 85 ASN N N 119.868 0.029 1 553 483 86 GLU HA H 4.332 0.004 1 554 483 86 GLU HB2 H 2.078 0.004 1 555 483 86 GLU HB3 H 1.921 0.004 1 556 483 86 GLU C C 176.544 0.005 1 557 483 86 GLU CA C 56.624 0.013 1 558 483 86 GLU CB C 30.239 0.01 1 559 483 86 GLU N N 121.765 0.013 1 560 484 87 SER HA H 4.437 0.004 1 561 484 87 SER HB2 H 3.888 0.004 1 562 484 87 SER HB3 H 3.888 0.004 1 563 484 87 SER C C 174.853 0.001 1 564 484 87 SER CA C 58.629 0.007 1 565 484 87 SER CB C 63.804 0.08 1 566 484 87 SER N N 116.984 0.04 1 567 485 88 ARG HA H 4.406 0.004 1 568 485 88 ARG HB2 H 1.902 0.004 1 569 485 88 ARG HB3 H 1.902 0.004 1 570 485 88 ARG C C 176.509 0.004 1 571 485 88 ARG CA C 56.237 0.035 1 572 485 88 ARG CB C 30.711 0.08 1 573 485 88 ARG N N 123.101 0.019 1 574 486 89 SER HA H 4.456 0.004 1 575 486 89 SER HB2 H 3.893 0.004 1 576 486 89 SER HB3 H 3.893 0.004 1 577 486 89 SER C C 175.169 0.003 1 578 486 89 SER CA C 58.651 0.033 1 579 486 89 SER CB C 63.87 0.08 1 580 486 89 SER N N 116.614 0.042 1 581 487 90 GLY HA2 H 4.005 0.004 1 582 487 90 GLY HA3 H 4.005 0.004 1 583 487 90 GLY C C 174.408 0.001 1 584 487 90 GLY CA C 45.481 0.005 1 585 487 90 GLY N N 111.011 0.044 1 586 488 91 SER HA H 4.427 0.004 1 587 488 91 SER HB2 H 3.861 0.004 1 588 488 91 SER HB3 H 3.861 0.004 1 589 488 91 SER C C 174.49 0.006 1 590 488 91 SER CA C 58.608 0.035 1 591 488 91 SER CB C 63.844 0.08 1 592 488 91 SER N N 115.513 0.008 1 593 489 92 ASN HA H 4.7 0.004 1 594 489 92 ASN HB2 H 2.805 0.004 1 595 489 92 ASN HB3 H 2.805 0.004 1 596 489 92 ASN C C 175.161 0.003 1 597 489 92 ASN CA C 53.339 0.08 1 598 489 92 ASN CB C 38.688 0.08 1 599 489 92 ASN N N 120.679 0.032 1 600 490 93 ARG HA H 4.283 0.004 1 601 490 93 ARG HB2 H 1.783 0.004 1 602 490 93 ARG HB3 H 1.783 0.004 1 603 490 93 ARG C C 176.23 0.009 1 604 490 93 ARG CA C 56.374 0.007 1 605 490 93 ARG CB C 30.692 0.08 1 606 490 93 ARG N N 121.246 0.03 1 607 491 94 ARG HA H 4.292 0.004 1 608 491 94 ARG HB2 H 1.78 0.004 1 609 491 94 ARG HB3 H 1.78 0.004 1 610 491 94 ARG C C 176.309 0.018 1 611 491 94 ARG CA C 56.25 0.048 1 612 491 94 ARG CB C 30.735 0.08 1 613 491 94 ARG N N 122.376 0.049 1 614 492 95 GLU HA H 4.291 0.004 1 615 492 95 GLU HB2 H 2.03 0.004 1 616 492 95 GLU HB3 H 1.92 0.004 1 617 492 95 GLU C C 176.484 0.007 1 618 492 95 GLU CA C 56.486 0.028 1 619 492 95 GLU CB C 30.174 0.08 1 620 492 95 GLU N N 122.368 0.043 1 621 493 96 ARG HA H 4.294 0.004 1 622 493 96 ARG HB2 H 1.831 0.004 1 623 493 96 ARG HB3 H 1.831 0.004 1 624 493 96 ARG C C 176.838 0.08 1 625 493 96 ARG CA C 56.54 0.027 1 626 493 96 ARG CB C 30.724 0.08 1 627 493 96 ARG N N 122.25 0.031 1 628 494 97 GLY HA2 H 3.909 0.004 1 629 494 97 GLY HA3 H 3.909 0.004 1 630 494 97 GLY C C 173.305 0.004 1 631 494 97 GLY CA C 44.966 0.08 1 632 494 97 GLY N N 110.25 0.052 1 633 495 98 ALA HA H 4.561 0.004 1 634 495 98 ALA HB H 1.314 0.004 1 635 495 98 ALA C C 175.133 0.009 1 636 495 98 ALA CA C 50.447 0.019 1 637 495 98 ALA CB C 18.217 0.08 1 638 495 98 ALA N N 124.882 0.009 1 639 496 99 PRO HA H 4.662 0.004 1 640 496 99 PRO HB2 H 2.325 0.004 1 641 496 99 PRO HB3 H 1.86 0.004 1 642 496 99 PRO C C 174.606 0.004 1 643 496 99 PRO CA C 61.438 0.008 1 644 496 99 PRO CB C 30.866 0.033 1 645 496 99 PRO N N 137.221 0.007 1 646 497 100 PRO HA H 4.414 0.004 1 647 497 100 PRO HB2 H 2.234 0.004 1 648 497 100 PRO HB3 H 1.882 0.004 1 649 497 100 PRO C C 176.645 0.013 1 650 497 100 PRO CA C 62.693 0.009 1 651 497 100 PRO CB C 31.952 0.013 1 652 497 100 PRO N N 134.926 0.004 1 653 498 101 LEU HA H 4.559 0.004 1 654 498 101 LEU HB2 H 1.519 0.004 1 655 498 101 LEU HB3 H 1.519 0.004 1 656 498 101 LEU C C 174.938 0.005 1 657 498 101 LEU CA C 52.95 0.002 1 658 498 101 LEU CB C 41.717 0.08 1 659 498 101 LEU N N 123.572 0.047 1 660 499 102 PRO HA H 4.662 0.004 1 661 499 102 PRO HB2 H 2.322 0.004 1 662 499 102 PRO HB3 H 1.859 0.004 1 663 499 102 PRO C C 174.649 0.004 1 664 499 102 PRO CA C 61.373 0.02 1 665 499 102 PRO CB C 30.846 0.022 1 666 499 102 PRO N N 137.397 0.008 1 667 500 103 PRO HA H 4.435 0.004 1 668 500 103 PRO HB2 H 2.218 0.004 1 669 500 103 PRO HB3 H 1.842 0.004 1 670 500 103 PRO C C 176.68 0.002 1 671 500 103 PRO CA C 62.643 0.004 1 672 500 103 PRO CB C 31.949 0.043 1 673 500 103 PRO N N 134.865 0.008 1 674 501 104 ILE HA H 4.383 0.004 1 675 501 104 ILE HB H 1.801 0.004 1 676 501 104 ILE C C 174.847 0.008 1 677 501 104 ILE CA C 58.782 0.013 1 678 501 104 ILE CB C 38.487 0.08 1 679 501 104 ILE N N 122.398 0.029 1 680 502 105 PRO HA H 4.375 0.004 1 681 502 105 PRO HB2 H 2.27 0.004 1 682 502 105 PRO HB3 H 1.839 0.004 1 683 502 105 PRO C C 176.676 0.005 1 684 502 105 PRO CA C 63.257 0.054 1 685 502 105 PRO CB C 32.105 0.016 1 686 502 105 PRO N N 140.12 0.003 1 687 503 106 ARG HA H 4.278 0.004 1 688 503 106 ARG HB2 H 1.766 0.004 1 689 503 106 ARG HB3 H 1.766 0.004 1 690 503 106 ARG C C 176.119 0.004 1 691 503 106 ARG CA C 56.049 0.03 1 692 503 106 ARG CB C 30.776 0.08 1 693 503 106 ARG N N 121.546 0.023 1 694 504 107 LEU HA H 4.313 0.004 1 695 504 107 LEU HB2 H 1.515 0.004 1 696 504 107 LEU HB3 H 1.515 0.004 1 697 504 107 LEU C C 176.905 0.004 1 698 504 107 LEU CA C 54.911 0.025 1 699 504 107 LEU CB C 42.388 0.08 1 700 504 107 LEU N N 123.898 0.009 1 701 505 108 GLU HA H 4.224 0.004 1 702 505 108 GLU HB2 H 1.846 0.004 1 703 505 108 GLU HB3 H 1.846 0.004 1 704 505 108 GLU C C 176.022 0.08 1 705 505 108 GLU CA C 56.111 0.03 1 706 505 108 GLU CB C 30.583 0.08 1 707 505 108 GLU N N 122.253 0.023 1 708 506 109 HIS HA H 4.646 0.004 1 709 506 109 HIS HB2 H 3.109 0.004 1 710 506 109 HIS HB3 H 3.109 0.004 1 711 506 109 HIS C C 174.303 0.003 1 712 506 109 HIS CA C 55.276 0.1 1 713 506 109 HIS CB C 29.36 0.08 1 714 506 109 HIS N N 119.91 0.016 1 715 507 110 HIS HA H 4.626 0.004 1 716 507 110 HIS HB2 H 3.107 0.004 1 717 507 110 HIS HB3 H 3.107 0.004 1 718 507 110 HIS C C 174.282 0.013 1 719 507 110 HIS CA C 55.374 0.055 1 720 507 110 HIS CB C 29.425 0.08 1 721 507 110 HIS N N 119.784 0.004 1 722 508 111 HIS HA H 4.636 0.004 1 723 508 111 HIS HB2 H 3.092 0.004 1 724 508 111 HIS HB3 H 3.092 0.004 1 725 508 111 HIS C C 174.355 0.012 1 726 508 111 HIS CA C 55.489 0.039 1 727 508 111 HIS CB C 29.436 0.08 1 728 508 111 HIS N N 120.204 0.021 1 729 509 112 HIS HA H 4.645 0.004 1 730 509 112 HIS HB2 H 3.118 0.004 1 731 509 112 HIS HB3 H 3.118 0.004 1 732 509 112 HIS C C 174.189 0.012 1 733 509 112 HIS CA C 55.486 0.008 1 734 509 112 HIS CB C 29.492 0.08 1 735 509 112 HIS N N 120.693 0.032 1 736 510 113 HIS HA H 4.615 0.004 1 737 510 113 HIS HB2 H 3.188 0.004 1 738 510 113 HIS HB3 H 3.188 0.004 1 739 510 113 HIS C C 173.603 0.013 1 740 510 113 HIS CA C 55.631 0.028 1 741 510 113 HIS CB C 29.506 0.08 1 742 510 113 HIS N N 120.669 0.022 1 743 511 114 HIS C C 178.893 0.08 1 744 511 114 HIS CA C 57.171 0.08 1 745 511 114 HIS N N 125.572 0.032 1 stop_ save_