data_11563 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Refined solution structure of the first RNA recognition motif domain in CPEB3 ; _BMRB_accession_number 11563 _BMRB_flat_file_name bmr11563.str _Entry_type original _Submission_date 2014-04-15 _Accession_date 2014-04-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tsuda Kengo . . 2 Kuwasako Kanako . . 3 Nagata Takashi . . 4 Takahashi Mari . . 5 Kigawa Takanori . . 6 Kobayashi Naohiro . . 7 Guntert Peter . . 8 Shirouzu Mikako . . 9 Yokoyama Shigeyuki . . 10 Muto Yutaka . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 641 "13C chemical shifts" 493 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-13 original BMRB . stop_ _Original_release_date 2016-07-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Novel RNA recognition motif domain in the cytoplasmic polyadenylation element binding protein 3 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 5066254 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tsuda Kengo . . 2 Kuwasako Kanako . . 3 Nagata Takashi . . 4 Takahashi Mari . . 5 Kigawa Takanori . . 6 Kobayashi Naohiro . . 7 Guntert Peter . . 8 Shirouzu Mikako . . 9 Yokoyama Shigeyuki . . 10 Muto Yutaka . . stop_ _Journal_abbreviation Proteins _Journal_volume 82 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2879 _Page_last 2886 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'The first RNA recognition motif domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label The_first_RNA_recognition_motif_domain $The_first_RNA_recognition_motif_domain 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_The_first_RNA_recognition_motif_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common The_first_RNA_recognition_motif_domain _Molecular_mass 12428.944 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSSGSSGSRKVFVGGLPPDI DEDEITASFRRFGPLVVDWP HKAESKSYFPPKGYAFLLFQ EESSVQALIDACLEEDGKLY LCVSSPTIKDKPVQIRPWNL SDSDFVMDSGPSSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 . SER 4 . GLY 5 . SER 6 438 SER 7 439 GLY 8 440 SER 9 441 ARG 10 442 LYS 11 443 VAL 12 444 PHE 13 445 VAL 14 446 GLY 15 447 GLY 16 448 LEU 17 449 PRO 18 450 PRO 19 451 ASP 20 452 ILE 21 453 ASP 22 454 GLU 23 455 ASP 24 456 GLU 25 457 ILE 26 458 THR 27 459 ALA 28 460 SER 29 461 PHE 30 462 ARG 31 463 ARG 32 464 PHE 33 465 GLY 34 466 PRO 35 467 LEU 36 468 VAL 37 469 VAL 38 470 ASP 39 471 TRP 40 472 PRO 41 473 HIS 42 474 LYS 43 475 ALA 44 476 GLU 45 477 SER 46 478 LYS 47 479 SER 48 480 TYR 49 481 PHE 50 482 PRO 51 483 PRO 52 484 LYS 53 485 GLY 54 486 TYR 55 487 ALA 56 488 PHE 57 489 LEU 58 490 LEU 59 491 PHE 60 492 GLN 61 493 GLU 62 494 GLU 63 495 SER 64 496 SER 65 497 VAL 66 498 GLN 67 499 ALA 68 500 LEU 69 501 ILE 70 502 ASP 71 503 ALA 72 504 CYS 73 505 LEU 74 506 GLU 75 507 GLU 76 508 ASP 77 509 GLY 78 510 LYS 79 511 LEU 80 512 TYR 81 513 LEU 82 514 CYS 83 515 VAL 84 516 SER 85 517 SER 86 518 PRO 87 519 THR 88 520 ILE 89 521 LYS 90 522 ASP 91 523 LYS 92 524 PRO 93 525 VAL 94 526 GLN 95 527 ILE 96 528 ARG 97 529 PRO 98 530 TRP 99 531 ASN 100 532 LEU 101 533 SER 102 534 ASP 103 535 SER 104 536 ASP 105 537 PHE 106 538 VAL 107 539 MET 108 540 ASP 109 541 SER 110 542 GLY 111 543 PRO 112 544 SER 113 545 SER 114 546 GLY 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 _Gene_mnemonic $The_first_RNA_recognition_motif_domain Human 9606 Eukaryota Metazoa Homo sapiens CPEB3 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 $The_first_RNA_recognition_motif_domain 'cell free synthesis' . . . . pCR2.1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $The_first_RNA_recognition_motif_domain 1.06 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9843 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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' 120 . mM pH 7.0 . 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 DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251441953 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external 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 1H-15N NOESY' '3D 1H-13C NOESY' 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 The_first_RNA_recognition_motif_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 1 438 6 SER HA H 4.449 0.030 1 2 438 6 SER HB2 H 3.911 0.030 2 3 438 6 SER C C 175.165 0.300 1 4 438 6 SER CA C 58.952 0.300 1 5 438 6 SER CB C 63.774 0.300 1 6 439 7 GLY H H 8.469 0.030 1 7 439 7 GLY C C 174.120 0.300 1 8 439 7 GLY CA C 45.655 0.300 1 9 439 7 GLY N N 110.807 0.300 1 10 440 8 SER H H 8.135 0.030 1 11 440 8 SER HA H 4.527 0.030 1 12 440 8 SER HB2 H 3.952 0.030 2 13 440 8 SER HB3 H 3.891 0.030 2 14 440 8 SER C C 174.654 0.300 1 15 440 8 SER CA C 58.620 0.300 1 16 440 8 SER CB C 63.997 0.300 1 17 440 8 SER N N 114.857 0.300 1 18 441 9 ARG H H 8.390 0.030 1 19 441 9 ARG HA H 4.476 0.030 1 20 441 9 ARG HB2 H 2.396 0.030 2 21 441 9 ARG HB3 H 1.715 0.030 2 22 441 9 ARG HG2 H 1.284 0.030 2 23 441 9 ARG HG3 H 1.686 0.030 2 24 441 9 ARG HD2 H 3.185 0.030 2 25 441 9 ARG HD3 H 3.135 0.030 2 26 441 9 ARG C C 173.827 0.300 1 27 441 9 ARG CA C 56.361 0.300 1 28 441 9 ARG CB C 30.931 0.300 1 29 441 9 ARG CG C 28.594 0.300 1 30 441 9 ARG CD C 43.558 0.300 1 31 441 9 ARG N N 121.404 0.300 1 32 442 10 LYS H H 8.044 0.030 1 33 442 10 LYS HA H 5.490 0.030 1 34 442 10 LYS HB2 H 1.771 0.030 2 35 442 10 LYS HB3 H 1.600 0.030 2 36 442 10 LYS HG2 H 1.232 0.030 2 37 442 10 LYS HG3 H 1.099 0.030 2 38 442 10 LYS HD2 H 1.126 0.030 2 39 442 10 LYS HD3 H 1.067 0.030 2 40 442 10 LYS HE2 H 2.103 0.030 2 41 442 10 LYS HE3 H 1.931 0.030 2 42 442 10 LYS C C 175.838 0.300 1 43 442 10 LYS CA C 55.246 0.300 1 44 442 10 LYS CB C 35.720 0.300 1 45 442 10 LYS CG C 25.559 0.300 1 46 442 10 LYS CD C 29.964 0.300 1 47 442 10 LYS CE C 41.345 0.300 1 48 442 10 LYS N N 121.141 0.300 1 49 443 11 VAL H H 9.212 0.030 1 50 443 11 VAL HA H 4.623 0.030 1 51 443 11 VAL HB H 2.007 0.030 1 52 443 11 VAL HG1 H 1.023 0.030 1 53 443 11 VAL HG2 H 0.880 0.030 1 54 443 11 VAL C C 174.279 0.300 1 55 443 11 VAL CA C 61.121 0.300 1 56 443 11 VAL CB C 36.467 0.300 1 57 443 11 VAL CG1 C 22.730 0.300 2 58 443 11 VAL CG2 C 22.488 0.300 2 59 443 11 VAL N N 123.226 0.300 1 60 444 12 PHE H H 8.954 0.030 1 61 444 12 PHE HA H 4.695 0.030 1 62 444 12 PHE HB2 H 3.323 0.030 2 63 444 12 PHE HB3 H 2.909 0.030 2 64 444 12 PHE HD1 H 6.699 0.030 1 65 444 12 PHE HD2 H 6.699 0.030 1 66 444 12 PHE HE1 H 6.743 0.030 1 67 444 12 PHE HE2 H 6.743 0.030 1 68 444 12 PHE HZ H 6.905 0.030 1 69 444 12 PHE C C 173.097 0.300 1 70 444 12 PHE CA C 57.621 0.300 1 71 444 12 PHE CB C 40.881 0.300 1 72 444 12 PHE CD1 C 131.419 0.300 1 73 444 12 PHE CD2 C 131.419 0.300 1 74 444 12 PHE CE1 C 131.030 0.300 1 75 444 12 PHE CE2 C 131.030 0.300 1 76 444 12 PHE CZ C 129.642 0.300 1 77 444 12 PHE N N 128.661 0.300 1 78 445 13 VAL H H 8.238 0.030 1 79 445 13 VAL HA H 5.171 0.030 1 80 445 13 VAL HB H 1.596 0.030 1 81 445 13 VAL HG1 H 0.715 0.030 1 82 445 13 VAL HG2 H 0.622 0.030 1 83 445 13 VAL C C 173.362 0.300 1 84 445 13 VAL CA C 59.003 0.300 1 85 445 13 VAL CB C 33.785 0.300 1 86 445 13 VAL CG1 C 21.416 0.300 2 87 445 13 VAL CG2 C 21.351 0.300 2 88 445 13 VAL N N 126.136 0.300 1 89 446 14 GLY H H 8.855 0.030 1 90 446 14 GLY HA2 H 4.737 0.030 2 91 446 14 GLY HA3 H 3.712 0.030 2 92 446 14 GLY C C 173.435 0.300 1 93 446 14 GLY CA C 43.774 0.300 1 94 446 14 GLY N N 110.315 0.300 1 95 447 15 GLY H H 8.034 0.030 1 96 447 15 GLY HA2 H 4.360 0.030 2 97 447 15 GLY HA3 H 3.846 0.030 2 98 447 15 GLY C C 176.150 0.300 1 99 447 15 GLY CA C 45.871 0.300 1 100 447 15 GLY N N 108.851 0.300 1 101 448 16 LEU H H 8.561 0.030 1 102 448 16 LEU HA H 4.053 0.030 1 103 448 16 LEU HB2 H 1.265 0.030 1 104 448 16 LEU HB3 H 1.265 0.030 1 105 448 16 LEU HG H 1.441 0.030 1 106 448 16 LEU HD1 H 0.492 0.030 1 107 448 16 LEU HD2 H 0.858 0.030 1 108 448 16 LEU C C 174.754 0.300 1 109 448 16 LEU CA C 53.558 0.300 1 110 448 16 LEU CB C 41.100 0.300 1 111 448 16 LEU CG C 26.870 0.300 1 112 448 16 LEU CD1 C 26.493 0.300 2 113 448 16 LEU CD2 C 23.737 0.300 2 114 448 16 LEU N N 119.433 0.300 1 115 449 17 PRO HA H 4.620 0.030 1 116 449 17 PRO HB2 H 1.868 0.030 2 117 449 17 PRO HB3 H 2.402 0.030 2 118 449 17 PRO HG2 H 1.889 0.030 1 119 449 17 PRO HG3 H 1.889 0.030 1 120 449 17 PRO HD2 H 3.592 0.030 2 121 449 17 PRO HD3 H 3.316 0.030 2 122 449 17 PRO CA C 61.005 0.300 1 123 449 17 PRO CB C 31.389 0.300 1 124 449 17 PRO CG C 27.792 0.300 1 125 449 17 PRO CD C 49.744 0.300 1 126 450 18 PRO HA H 4.347 0.030 1 127 450 18 PRO HB2 H 1.830 0.030 2 128 450 18 PRO HB3 H 2.196 0.030 2 129 450 18 PRO HG2 H 1.994 0.030 2 130 450 18 PRO HG3 H 1.825 0.030 2 131 450 18 PRO HD2 H 3.701 0.030 2 132 450 18 PRO HD3 H 3.546 0.030 2 133 450 18 PRO C C 175.844 0.300 1 134 450 18 PRO CA C 63.986 0.300 1 135 450 18 PRO CB C 31.862 0.300 1 136 450 18 PRO CG C 27.148 0.300 1 137 450 18 PRO CD C 50.519 0.300 1 138 451 19 ASP H H 8.352 0.030 1 139 451 19 ASP HA H 4.071 0.030 1 140 451 19 ASP HB2 H 2.849 0.030 2 141 451 19 ASP HB3 H 2.217 0.030 2 142 451 19 ASP C C 174.767 0.300 1 143 451 19 ASP CA C 52.204 0.300 1 144 451 19 ASP CB C 39.033 0.300 1 145 451 19 ASP N N 114.459 0.300 1 146 452 20 ILE H H 7.002 0.030 1 147 452 20 ILE HA H 4.692 0.030 1 148 452 20 ILE HB H 1.433 0.030 1 149 452 20 ILE HG12 H 1.686 0.030 2 150 452 20 ILE HG13 H 1.493 0.030 2 151 452 20 ILE HG2 H 0.960 0.030 1 152 452 20 ILE HD1 H 0.705 0.030 1 153 452 20 ILE C C 171.978 0.300 1 154 452 20 ILE CA C 60.171 0.300 1 155 452 20 ILE CB C 41.237 0.300 1 156 452 20 ILE CG1 C 29.987 0.300 1 157 452 20 ILE CG2 C 16.598 0.300 1 158 452 20 ILE CD1 C 14.136 0.300 1 159 452 20 ILE N N 118.391 0.300 1 160 453 21 ASP H H 8.208 0.030 1 161 453 21 ASP HA H 4.929 0.030 1 162 453 21 ASP HB2 H 2.825 0.030 2 163 453 21 ASP HB3 H 2.323 0.030 2 164 453 21 ASP C C 176.510 0.300 1 165 453 21 ASP CA C 51.611 0.300 1 166 453 21 ASP CB C 42.635 0.300 1 167 453 21 ASP N N 125.333 0.300 1 168 454 22 GLU H H 8.681 0.030 1 169 454 22 GLU HA H 3.910 0.030 1 170 454 22 GLU HB2 H 2.312 0.030 2 171 454 22 GLU HB3 H 2.206 0.030 2 172 454 22 GLU HG2 H 2.282 0.030 2 173 454 22 GLU HG3 H 2.128 0.030 2 174 454 22 GLU C C 178.697 0.300 1 175 454 22 GLU CA C 60.736 0.300 1 176 454 22 GLU CB C 30.385 0.300 1 177 454 22 GLU CG C 35.500 0.300 1 178 454 22 GLU N N 117.809 0.300 1 179 455 23 ASP H H 8.627 0.030 1 180 455 23 ASP HA H 4.472 0.030 1 181 455 23 ASP HB2 H 2.876 0.030 2 182 455 23 ASP HB3 H 2.674 0.030 2 183 455 23 ASP C C 178.997 0.300 1 184 455 23 ASP CA C 57.854 0.300 1 185 455 23 ASP CB C 40.010 0.300 1 186 455 23 ASP N N 122.254 0.300 1 187 456 24 GLU H H 8.653 0.030 1 188 456 24 GLU HA H 4.299 0.030 1 189 456 24 GLU HB2 H 2.324 0.030 2 190 456 24 GLU HB3 H 2.099 0.030 2 191 456 24 GLU HG2 H 2.473 0.030 2 192 456 24 GLU HG3 H 2.428 0.030 2 193 456 24 GLU C C 180.716 0.300 1 194 456 24 GLU CA C 58.930 0.300 1 195 456 24 GLU CB C 29.737 0.300 1 196 456 24 GLU CG C 36.464 0.300 1 197 456 24 GLU N N 123.367 0.300 1 198 457 25 ILE H H 9.028 0.030 1 199 457 25 ILE HA H 3.626 0.030 1 200 457 25 ILE HB H 1.980 0.030 1 201 457 25 ILE HG12 H 2.086 0.030 2 202 457 25 ILE HG13 H 0.685 0.030 2 203 457 25 ILE HG2 H 0.921 0.030 1 204 457 25 ILE HD1 H 0.661 0.030 1 205 457 25 ILE C C 177.958 0.300 1 206 457 25 ILE CA C 66.986 0.300 1 207 457 25 ILE CB C 38.362 0.300 1 208 457 25 ILE CG1 C 29.612 0.300 1 209 457 25 ILE CG2 C 18.862 0.300 1 210 457 25 ILE CD1 C 14.388 0.300 1 211 457 25 ILE N N 122.959 0.300 1 212 458 26 THR H H 8.502 0.030 1 213 458 26 THR HA H 3.721 0.030 1 214 458 26 THR HB H 4.469 0.030 1 215 458 26 THR HG2 H 1.291 0.030 1 216 458 26 THR C C 176.219 0.300 1 217 458 26 THR CA C 68.088 0.300 1 218 458 26 THR CB C 68.565 0.300 1 219 458 26 THR CG2 C 21.362 0.300 1 220 458 26 THR N N 115.947 0.300 1 221 459 27 ALA H H 8.357 0.030 1 222 459 27 ALA HA H 4.063 0.030 1 223 459 27 ALA HB H 1.546 0.030 1 224 459 27 ALA C C 180.264 0.300 1 225 459 27 ALA CA C 55.259 0.300 1 226 459 27 ALA CB C 18.339 0.300 1 227 459 27 ALA N N 121.344 0.300 1 228 460 28 SER H H 7.918 0.030 1 229 460 28 SER HA H 4.261 0.030 1 230 460 28 SER HB2 H 3.469 0.030 2 231 460 28 SER HB3 H 4.073 0.030 2 232 460 28 SER C C 174.056 0.300 1 233 460 28 SER CA C 62.009 0.300 1 234 460 28 SER CB C 63.648 0.300 1 235 460 28 SER N N 113.264 0.300 1 236 461 29 PHE H H 7.573 0.030 1 237 461 29 PHE HA H 4.964 0.030 1 238 461 29 PHE HB2 H 3.651 0.030 2 239 461 29 PHE HB3 H 2.781 0.030 2 240 461 29 PHE HD1 H 7.632 0.030 1 241 461 29 PHE HD2 H 7.632 0.030 1 242 461 29 PHE HE1 H 7.104 0.030 1 243 461 29 PHE HE2 H 7.104 0.030 1 244 461 29 PHE HZ H 6.950 0.030 1 245 461 29 PHE C C 175.891 0.300 1 246 461 29 PHE CA C 59.236 0.300 1 247 461 29 PHE CB C 41.886 0.300 1 248 461 29 PHE CD1 C 132.722 0.300 1 249 461 29 PHE CD2 C 132.722 0.300 1 250 461 29 PHE CE1 C 130.470 0.300 1 251 461 29 PHE CE2 C 130.470 0.300 1 252 461 29 PHE CZ C 128.745 0.300 1 253 461 29 PHE N N 114.787 0.300 1 254 462 30 ARG H H 8.217 0.030 1 255 462 30 ARG HA H 4.592 0.030 1 256 462 30 ARG HB2 H 2.068 0.030 2 257 462 30 ARG HB3 H 1.872 0.030 2 258 462 30 ARG HG2 H 1.779 0.030 2 259 462 30 ARG HG3 H 1.610 0.030 2 260 462 30 ARG HD2 H 3.412 0.030 2 261 462 30 ARG HD3 H 3.159 0.030 2 262 462 30 ARG C C 177.963 0.300 1 263 462 30 ARG CA C 57.079 0.300 1 264 462 30 ARG CB C 29.112 0.300 1 265 462 30 ARG CG C 26.853 0.300 1 266 462 30 ARG CD C 43.102 0.300 1 267 462 30 ARG N N 121.924 0.300 1 268 463 31 ARG H H 8.081 0.030 1 269 463 31 ARG HA H 4.106 0.030 1 270 463 31 ARG HB2 H 1.598 0.030 2 271 463 31 ARG HB3 H 1.418 0.030 2 272 463 31 ARG HG2 H 0.821 0.030 2 273 463 31 ARG HG3 H 0.044 0.030 2 274 463 31 ARG HD2 H 2.814 0.030 1 275 463 31 ARG HD3 H 2.814 0.030 1 276 463 31 ARG C C 176.962 0.300 1 277 463 31 ARG CA C 57.542 0.300 1 278 463 31 ARG CB C 28.454 0.300 1 279 463 31 ARG CG C 24.728 0.300 1 280 463 31 ARG CD C 43.612 0.300 1 281 463 31 ARG N N 118.049 0.300 1 282 464 32 PHE H H 7.820 0.030 1 283 464 32 PHE HA H 4.593 0.030 1 284 464 32 PHE HB2 H 3.499 0.030 2 285 464 32 PHE HB3 H 3.102 0.030 2 286 464 32 PHE HD1 H 7.576 0.030 1 287 464 32 PHE HD2 H 7.576 0.030 1 288 464 32 PHE HE1 H 7.299 0.030 1 289 464 32 PHE HE2 H 7.299 0.030 1 290 464 32 PHE HZ H 7.169 0.030 1 291 464 32 PHE C C 175.526 0.300 1 292 464 32 PHE CA C 59.315 0.300 1 293 464 32 PHE CB C 38.544 0.300 1 294 464 32 PHE CD1 C 131.416 0.300 1 295 464 32 PHE CD2 C 131.416 0.300 1 296 464 32 PHE CE1 C 131.859 0.300 1 297 464 32 PHE CE2 C 131.859 0.300 1 298 464 32 PHE CZ C 129.234 0.300 1 299 464 32 PHE N N 118.594 0.300 1 300 465 33 GLY H H 7.831 0.030 1 301 465 33 GLY HA2 H 4.017 0.030 2 302 465 33 GLY HA3 H 4.680 0.030 2 303 465 33 GLY C C 180.711 0.300 1 304 465 33 GLY CA C 44.737 0.300 1 305 465 33 GLY N N 111.072 0.300 1 306 466 34 PRO HA H 4.380 0.030 1 307 466 34 PRO HB2 H 1.901 0.030 2 308 466 34 PRO HB3 H 2.332 0.030 2 309 466 34 PRO HG2 H 2.128 0.030 2 310 466 34 PRO HG3 H 2.035 0.030 2 311 466 34 PRO HD2 H 3.819 0.030 2 312 466 34 PRO HD3 H 3.618 0.030 2 313 466 34 PRO C C 176.735 0.300 1 314 466 34 PRO CA C 63.759 0.300 1 315 466 34 PRO CB C 32.362 0.300 1 316 466 34 PRO CG C 28.164 0.300 1 317 466 34 PRO CD C 49.486 0.300 1 318 467 35 LEU H H 8.161 0.030 1 319 467 35 LEU HA H 5.119 0.030 1 320 467 35 LEU HB2 H 1.367 0.030 2 321 467 35 LEU HB3 H 0.687 0.030 2 322 467 35 LEU HG H 1.302 0.030 1 323 467 35 LEU HD1 H 0.505 0.030 1 324 467 35 LEU HD2 H 1.114 0.030 1 325 467 35 LEU C C 174.256 0.300 1 326 467 35 LEU CA C 55.518 0.300 1 327 467 35 LEU CB C 43.828 0.300 1 328 467 35 LEU CG C 27.294 0.300 1 329 467 35 LEU CD1 C 29.635 0.300 2 330 467 35 LEU CD2 C 25.612 0.300 2 331 467 35 LEU N N 120.867 0.300 1 332 468 36 VAL H H 7.837 0.030 1 333 468 36 VAL HA H 4.364 0.030 1 334 468 36 VAL HB H 2.004 0.030 1 335 468 36 VAL HG1 H 0.900 0.030 1 336 468 36 VAL HG2 H 0.874 0.030 1 337 468 36 VAL C C 173.598 0.300 1 338 468 36 VAL CA C 60.611 0.300 1 339 468 36 VAL CB C 35.407 0.300 1 340 468 36 VAL CG1 C 21.440 0.300 2 341 468 36 VAL CG2 C 20.624 0.300 2 342 468 36 VAL N N 115.685 0.300 1 343 469 37 VAL H H 8.592 0.030 1 344 469 37 VAL HA H 4.735 0.030 1 345 469 37 VAL HB H 1.922 0.030 1 346 469 37 VAL HG1 H 1.007 0.030 1 347 469 37 VAL HG2 H 0.887 0.030 1 348 469 37 VAL C C 173.728 0.300 1 349 469 37 VAL CA C 61.099 0.300 1 350 469 37 VAL CB C 33.782 0.300 1 351 469 37 VAL CG1 C 22.203 0.300 2 352 469 37 VAL CG2 C 22.612 0.300 2 353 469 37 VAL N N 123.822 0.300 1 354 470 38 ASP H H 9.275 0.030 1 355 470 38 ASP HA H 4.772 0.030 1 356 470 38 ASP HB2 H 2.476 0.030 2 357 470 38 ASP HB3 H 2.349 0.030 2 358 470 38 ASP C C 174.052 0.300 1 359 470 38 ASP CA C 52.253 0.300 1 360 470 38 ASP CB C 46.180 0.300 1 361 470 38 ASP N N 125.950 0.300 1 362 471 39 TRP H H 7.967 0.030 1 363 471 39 TRP HA H 4.816 0.030 1 364 471 39 TRP HB2 H 3.724 0.030 2 365 471 39 TRP HB3 H 3.128 0.030 2 366 471 39 TRP HD1 H 7.212 0.030 1 367 471 39 TRP HE1 H 10.385 0.030 1 368 471 39 TRP HE3 H 7.212 0.030 1 369 471 39 TRP HZ2 H 7.207 0.030 1 370 471 39 TRP HZ3 H 6.576 0.030 1 371 471 39 TRP HH2 H 6.911 0.030 1 372 471 39 TRP C C 172.560 0.300 1 373 471 39 TRP CA C 56.998 0.300 1 374 471 39 TRP CB C 26.612 0.300 1 375 471 39 TRP CD1 C 128.161 0.300 1 376 471 39 TRP CE3 C 119.874 0.300 1 377 471 39 TRP CZ2 C 115.317 0.300 1 378 471 39 TRP CZ3 C 120.470 0.300 1 379 471 39 TRP CH2 C 123.373 0.300 1 380 471 39 TRP N N 116.980 0.300 1 381 471 39 TRP NE1 N 131.166 0.300 1 382 472 40 PRO HA H 4.296 0.030 1 383 472 40 PRO HB2 H 1.976 0.030 2 384 472 40 PRO HB3 H 2.229 0.030 2 385 472 40 PRO HG2 H 2.466 0.030 2 386 472 40 PRO HG3 H 2.179 0.030 2 387 472 40 PRO HD2 H 3.801 0.030 2 388 472 40 PRO HD3 H 3.731 0.030 2 389 472 40 PRO C C 177.100 0.300 1 390 472 40 PRO CA C 64.781 0.300 1 391 472 40 PRO CB C 31.703 0.300 1 392 472 40 PRO CG C 28.385 0.300 1 393 472 40 PRO CD C 50.918 0.300 1 394 473 41 HIS H H 8.991 0.030 1 395 473 41 HIS HA H 4.439 0.030 1 396 473 41 HIS HB2 H 3.568 0.030 2 397 473 41 HIS HB3 H 3.419 0.030 2 398 473 41 HIS HD2 H 7.059 0.030 1 399 473 41 HIS HE1 H 8.171 0.030 1 400 473 41 HIS C C 175.798 0.300 1 401 473 41 HIS CA C 57.242 0.300 1 402 473 41 HIS CB C 27.493 0.300 1 403 473 41 HIS CD2 C 120.939 0.300 1 404 473 41 HIS CE1 C 137.859 0.300 1 405 473 41 HIS N N 116.024 0.300 1 406 474 42 LYS H H 7.907 0.030 1 407 474 42 LYS HA H 3.756 0.030 1 408 474 42 LYS HB2 H 1.465 0.030 2 409 474 42 LYS HB3 H 0.568 0.030 2 410 474 42 LYS HG2 H 0.892 0.030 2 411 474 42 LYS HG3 H 0.446 0.030 2 412 474 42 LYS HD2 H 1.052 0.030 2 413 474 42 LYS HD3 H -0.057 0.030 2 414 474 42 LYS HE2 H 2.299 0.030 2 415 474 42 LYS HE3 H 2.162 0.030 2 416 474 42 LYS C C 178.521 0.300 1 417 474 42 LYS CA C 60.361 0.300 1 418 474 42 LYS CB C 32.721 0.300 1 419 474 42 LYS CG C 24.886 0.300 1 420 474 42 LYS CD C 29.635 0.300 1 421 474 42 LYS CE C 41.873 0.300 1 422 474 42 LYS N N 123.661 0.300 1 423 475 43 ALA H H 8.634 0.030 1 424 475 43 ALA HA H 4.149 0.030 1 425 475 43 ALA HB H 1.404 0.030 1 426 475 43 ALA C C 179.196 0.300 1 427 475 43 ALA CA C 54.146 0.300 1 428 475 43 ALA CB C 18.429 0.300 1 429 475 43 ALA N N 119.412 0.300 1 430 476 44 GLU H H 8.137 0.030 1 431 476 44 GLU HA H 4.232 0.030 1 432 476 44 GLU HB2 H 2.146 0.030 2 433 476 44 GLU HB3 H 2.053 0.030 2 434 476 44 GLU HG2 H 2.388 0.030 2 435 476 44 GLU HG3 H 2.267 0.030 2 436 476 44 GLU C C 177.027 0.300 1 437 476 44 GLU CA C 57.600 0.300 1 438 476 44 GLU CB C 30.041 0.300 1 439 476 44 GLU CG C 36.600 0.300 1 440 476 44 GLU N N 116.582 0.300 1 441 477 45 SER H H 8.031 0.030 1 442 477 45 SER HA H 4.486 0.030 1 443 477 45 SER HB2 H 4.080 0.030 1 444 477 45 SER HB3 H 4.080 0.030 1 445 477 45 SER C C 174.430 0.300 1 446 477 45 SER CA C 58.736 0.300 1 447 477 45 SER CB C 64.419 0.300 1 448 477 45 SER N N 113.935 0.300 1 449 478 46 LYS H H 8.255 0.030 1 450 478 46 LYS HA H 4.197 0.030 1 451 478 46 LYS HB2 H 1.959 0.030 2 452 478 46 LYS HB3 H 1.865 0.030 2 453 478 46 LYS HG2 H 1.426 0.030 1 454 478 46 LYS HG3 H 1.426 0.030 1 455 478 46 LYS HD2 H 1.678 0.030 1 456 478 46 LYS HD3 H 1.678 0.030 1 457 478 46 LYS HE2 H 3.015 0.030 1 458 478 46 LYS HE3 H 3.015 0.030 1 459 478 46 LYS C C 175.841 0.300 1 460 478 46 LYS CA C 56.646 0.300 1 461 478 46 LYS CB C 30.988 0.300 1 462 478 46 LYS CG C 24.853 0.300 1 463 478 46 LYS CD C 29.104 0.300 1 464 478 46 LYS CE C 42.319 0.300 1 465 478 46 LYS N N 120.078 0.300 1 466 479 47 SER H H 7.888 0.030 1 467 479 47 SER HA H 4.506 0.030 1 468 479 47 SER HB2 H 3.981 0.030 2 469 479 47 SER HB3 H 3.922 0.030 2 470 479 47 SER C C 174.964 0.300 1 471 479 47 SER CA C 57.251 0.300 1 472 479 47 SER CB C 64.429 0.300 1 473 479 47 SER N N 113.322 0.300 1 474 480 48 TYR H H 8.592 0.030 1 475 480 48 TYR HA H 4.786 0.030 1 476 480 48 TYR HB2 H 3.147 0.030 2 477 480 48 TYR HB3 H 2.635 0.030 2 478 480 48 TYR HD1 H 7.120 0.030 1 479 480 48 TYR HD2 H 7.120 0.030 1 480 480 48 TYR HE1 H 6.852 0.030 1 481 480 48 TYR HE2 H 6.852 0.030 1 482 480 48 TYR C C 173.988 0.300 1 483 480 48 TYR CA C 58.059 0.300 1 484 480 48 TYR CB C 38.613 0.300 1 485 480 48 TYR CD1 C 132.984 0.300 1 486 480 48 TYR CD2 C 132.984 0.300 1 487 480 48 TYR CE1 C 118.354 0.300 1 488 480 48 TYR CE2 C 118.354 0.300 1 489 480 48 TYR N N 122.514 0.300 1 490 481 49 PHE H H 7.650 0.030 1 491 481 49 PHE HA H 5.008 0.030 1 492 481 49 PHE HB2 H 2.963 0.030 2 493 481 49 PHE HB3 H 2.588 0.030 2 494 481 49 PHE HD1 H 7.118 0.030 1 495 481 49 PHE HD2 H 7.118 0.030 1 496 481 49 PHE HE1 H 7.294 0.030 1 497 481 49 PHE HE2 H 7.294 0.030 1 498 481 49 PHE C C 173.131 0.300 1 499 481 49 PHE CA C 53.725 0.300 1 500 481 49 PHE CB C 40.271 0.300 1 501 481 49 PHE CD1 C 132.484 0.300 1 502 481 49 PHE CD2 C 132.484 0.300 1 503 481 49 PHE CE1 C 131.066 0.300 1 504 481 49 PHE CE2 C 131.066 0.300 1 505 481 49 PHE N N 117.707 0.300 1 506 482 50 PRO HA H 2.651 0.030 1 507 482 50 PRO HB2 H 1.303 0.030 1 508 482 50 PRO HB3 H 1.303 0.030 1 509 482 50 PRO HG2 H 1.440 0.030 2 510 482 50 PRO HG3 H 0.825 0.030 2 511 482 50 PRO HD2 H 3.534 0.030 2 512 482 50 PRO HD3 H 3.022 0.030 2 513 482 50 PRO CA C 59.702 0.300 1 514 482 50 PRO CB C 30.248 0.300 1 515 482 50 PRO CG C 27.112 0.300 1 516 482 50 PRO CD C 49.850 0.300 1 517 483 51 PRO HA H 4.250 0.030 1 518 483 51 PRO HB2 H 1.900 0.030 2 519 483 51 PRO HB3 H 2.282 0.030 2 520 483 51 PRO HG2 H 2.074 0.030 2 521 483 51 PRO HG3 H 1.960 0.030 2 522 483 51 PRO HD2 H 3.502 0.030 2 523 483 51 PRO HD3 H 3.253 0.030 2 524 483 51 PRO C C 177.715 0.300 1 525 483 51 PRO CA C 64.350 0.300 1 526 483 51 PRO CB C 32.353 0.300 1 527 483 51 PRO CG C 27.214 0.300 1 528 483 51 PRO CD C 51.032 0.300 1 529 484 52 LYS H H 8.238 0.030 1 530 484 52 LYS HA H 4.557 0.030 1 531 484 52 LYS HB2 H 2.225 0.030 2 532 484 52 LYS HB3 H 1.652 0.030 2 533 484 52 LYS HG2 H 1.453 0.030 2 534 484 52 LYS HG3 H 1.344 0.030 2 535 484 52 LYS HD2 H 1.781 0.030 2 536 484 52 LYS HD3 H 1.810 0.030 2 537 484 52 LYS HE2 H 3.066 0.030 1 538 484 52 LYS HE3 H 3.066 0.030 1 539 484 52 LYS CA C 54.884 0.300 1 540 484 52 LYS CB C 33.148 0.300 1 541 484 52 LYS CG C 25.323 0.300 1 542 484 52 LYS CD C 29.122 0.300 1 543 484 52 LYS CE C 42.429 0.300 1 544 484 52 LYS N N 116.867 0.300 1 545 485 53 GLY H H 7.226 0.030 1 546 485 53 GLY HA2 H 4.096 0.030 2 547 485 53 GLY HA3 H 3.797 0.030 2 548 485 53 GLY C C 172.096 0.300 1 549 485 53 GLY CA C 46.579 0.300 1 550 486 54 TYR H H 6.977 0.030 1 551 486 54 TYR HA H 5.569 0.030 1 552 486 54 TYR HB2 H 2.763 0.030 2 553 486 54 TYR HB3 H 2.684 0.030 2 554 486 54 TYR HD1 H 6.723 0.030 1 555 486 54 TYR HD2 H 6.723 0.030 1 556 486 54 TYR HE1 H 6.816 0.030 1 557 486 54 TYR HE2 H 6.816 0.030 1 558 486 54 TYR C C 172.633 0.300 1 559 486 54 TYR CA C 54.690 0.300 1 560 486 54 TYR CB C 42.113 0.300 1 561 486 54 TYR CD1 C 134.029 0.300 1 562 486 54 TYR CD2 C 134.029 0.300 1 563 486 54 TYR CE1 C 118.109 0.300 1 564 486 54 TYR CE2 C 118.109 0.300 1 565 486 54 TYR N N 114.315 0.300 1 566 487 55 ALA H H 8.686 0.030 1 567 487 55 ALA HA H 4.487 0.030 1 568 487 55 ALA HB H 1.205 0.030 1 569 487 55 ALA C C 173.012 0.300 1 570 487 55 ALA CA C 50.475 0.300 1 571 487 55 ALA CB C 22.691 0.300 1 572 487 55 ALA N N 119.367 0.300 1 573 488 56 PHE H H 9.232 0.030 1 574 488 56 PHE HA H 5.555 0.030 1 575 488 56 PHE HB2 H 2.720 0.030 1 576 488 56 PHE HB3 H 2.720 0.030 1 577 488 56 PHE HD1 H 7.045 0.030 1 578 488 56 PHE HD2 H 7.045 0.030 1 579 488 56 PHE HE1 H 6.974 0.030 1 580 488 56 PHE HE2 H 6.974 0.030 1 581 488 56 PHE C C 174.538 0.300 1 582 488 56 PHE CA C 55.463 0.300 1 583 488 56 PHE CB C 41.748 0.300 1 584 488 56 PHE CD1 C 131.461 0.300 1 585 488 56 PHE CD2 C 131.461 0.300 1 586 488 56 PHE CE1 C 131.222 0.300 1 587 488 56 PHE CE2 C 131.222 0.300 1 588 488 56 PHE N N 114.912 0.300 1 589 489 57 LEU H H 9.458 0.030 1 590 489 57 LEU HA H 4.557 0.030 1 591 489 57 LEU HB2 H 1.604 0.030 2 592 489 57 LEU HB3 H 0.624 0.030 2 593 489 57 LEU HG H 1.280 0.030 1 594 489 57 LEU HD1 H -0.244 0.030 1 595 489 57 LEU HD2 H 0.222 0.030 1 596 489 57 LEU C C 175.367 0.300 1 597 489 57 LEU CA C 52.623 0.300 1 598 489 57 LEU CB C 41.850 0.300 1 599 489 57 LEU CG C 26.317 0.300 1 600 489 57 LEU CD1 C 24.544 0.300 2 601 489 57 LEU CD2 C 21.749 0.300 2 602 489 57 LEU N N 120.674 0.300 1 603 490 58 LEU H H 8.783 0.030 1 604 490 58 LEU HA H 4.906 0.030 1 605 490 58 LEU HB2 H 1.495 0.030 1 606 490 58 LEU HB3 H 1.495 0.030 1 607 490 58 LEU HG H 1.372 0.030 1 608 490 58 LEU HD1 H 0.751 0.030 1 609 490 58 LEU HD2 H 0.741 0.030 1 610 490 58 LEU C C 177.403 0.300 1 611 490 58 LEU CA C 53.464 0.300 1 612 490 58 LEU CB C 41.100 0.300 1 613 490 58 LEU CG C 27.646 0.300 1 614 490 58 LEU CD1 C 24.987 0.300 2 615 490 58 LEU CD2 C 25.068 0.300 2 616 490 58 LEU N N 124.753 0.300 1 617 491 59 PHE H H 8.833 0.030 1 618 491 59 PHE HA H 4.735 0.030 1 619 491 59 PHE HB2 H 3.469 0.030 2 620 491 59 PHE HB3 H 2.788 0.030 2 621 491 59 PHE HD1 H 7.216 0.030 1 622 491 59 PHE HD2 H 7.216 0.030 1 623 491 59 PHE HE1 H 7.252 0.030 1 624 491 59 PHE HE2 H 7.252 0.030 1 625 491 59 PHE HZ H 7.169 0.030 1 626 491 59 PHE C C 176.020 0.300 1 627 491 59 PHE CA C 59.032 0.300 1 628 491 59 PHE CB C 39.998 0.300 1 629 491 59 PHE CD1 C 132.734 0.300 1 630 491 59 PHE CD2 C 132.734 0.300 1 631 491 59 PHE CE1 C 131.359 0.300 1 632 491 59 PHE CE2 C 131.359 0.300 1 633 491 59 PHE CZ C 128.757 0.300 1 634 491 59 PHE N N 125.129 0.300 1 635 492 60 GLN H H 8.122 0.030 1 636 492 60 GLN HA H 4.114 0.030 1 637 492 60 GLN HB2 H 2.179 0.030 2 638 492 60 GLN HB3 H 2.098 0.030 2 639 492 60 GLN HG2 H 2.400 0.030 1 640 492 60 GLN HG3 H 2.400 0.030 1 641 492 60 GLN HE21 H 7.832 0.030 2 642 492 60 GLN HE22 H 6.872 0.030 2 643 492 60 GLN C C 176.471 0.300 1 644 492 60 GLN CA C 58.645 0.300 1 645 492 60 GLN CB C 30.228 0.300 1 646 492 60 GLN CG C 34.373 0.300 1 647 492 60 GLN N N 120.924 0.300 1 648 492 60 GLN NE2 N 111.958 0.300 1 649 493 61 GLU H H 8.924 0.030 1 650 493 61 GLU HA H 4.795 0.030 1 651 493 61 GLU HB2 H 2.314 0.030 2 652 493 61 GLU HB3 H 2.047 0.030 2 653 493 61 GLU HG2 H 2.402 0.030 2 654 493 61 GLU HG3 H 2.304 0.030 2 655 493 61 GLU C C 176.923 0.300 1 656 493 61 GLU CA C 54.346 0.300 1 657 493 61 GLU CB C 32.044 0.300 1 658 493 61 GLU CG C 35.782 0.300 1 659 493 61 GLU N N 115.844 0.300 1 660 494 62 GLU H H 9.181 0.030 1 661 494 62 GLU HA H 3.950 0.030 1 662 494 62 GLU HB2 H 2.072 0.030 1 663 494 62 GLU HB3 H 2.072 0.030 1 664 494 62 GLU HG2 H 2.328 0.030 1 665 494 62 GLU HG3 H 2.328 0.030 1 666 494 62 GLU C C 179.268 0.300 1 667 494 62 GLU CA C 59.725 0.300 1 668 494 62 GLU CB C 29.499 0.300 1 669 494 62 GLU CG C 36.612 0.300 1 670 494 62 GLU N N 123.572 0.300 1 671 495 63 SER H H 8.757 0.030 1 672 495 63 SER HA H 4.217 0.030 1 673 495 63 SER HB2 H 4.009 0.030 1 674 495 63 SER HB3 H 4.009 0.030 1 675 495 63 SER C C 177.207 0.300 1 676 495 63 SER CA C 60.861 0.300 1 677 495 63 SER CB C 61.827 0.300 1 678 495 63 SER N N 114.799 0.300 1 679 496 64 SER H H 7.457 0.030 1 680 496 64 SER HA H 4.214 0.030 1 681 496 64 SER HB2 H 3.519 0.030 2 682 496 64 SER HB3 H 2.947 0.030 2 683 496 64 SER C C 174.165 0.300 1 684 496 64 SER CA C 62.100 0.300 1 685 496 64 SER CB C 63.770 0.300 1 686 496 64 SER N N 119.594 0.300 1 687 497 65 VAL H H 7.087 0.030 1 688 497 65 VAL HA H 2.954 0.030 1 689 497 65 VAL HB H 2.244 0.030 1 690 497 65 VAL HG1 H 0.937 0.030 1 691 497 65 VAL HG2 H 0.806 0.030 1 692 497 65 VAL C C 177.019 0.300 1 693 497 65 VAL CA C 66.501 0.300 1 694 497 65 VAL CB C 31.066 0.300 1 695 497 65 VAL CG1 C 23.601 0.300 2 696 497 65 VAL CG2 C 21.021 0.300 2 697 497 65 VAL N N 119.844 0.300 1 698 498 66 GLN H H 7.277 0.030 1 699 498 66 GLN HA H 3.794 0.030 1 700 498 66 GLN HB2 H 2.134 0.030 2 701 498 66 GLN HB3 H 2.061 0.030 2 702 498 66 GLN HG2 H 2.382 0.030 1 703 498 66 GLN HG3 H 2.382 0.030 1 704 498 66 GLN HE21 H 7.875 0.030 2 705 498 66 GLN HE22 H 6.865 0.030 2 706 498 66 GLN C C 177.018 0.300 1 707 498 66 GLN CA C 58.225 0.300 1 708 498 66 GLN CB C 28.130 0.300 1 709 498 66 GLN CG C 33.623 0.300 1 710 498 66 GLN N N 117.344 0.300 1 711 498 66 GLN NE2 N 115.628 0.300 1 712 499 67 ALA H H 7.557 0.030 1 713 499 67 ALA HA H 4.154 0.030 1 714 499 67 ALA HB H 1.709 0.030 1 715 499 67 ALA C C 179.428 0.300 1 716 499 67 ALA CA C 55.111 0.300 1 717 499 67 ALA CB C 18.408 0.300 1 718 499 67 ALA N N 120.322 0.300 1 719 500 68 LEU H H 7.522 0.030 1 720 500 68 LEU HA H 2.826 0.030 1 721 500 68 LEU HB2 H 1.728 0.030 2 722 500 68 LEU HB3 H 0.633 0.030 2 723 500 68 LEU HG H 1.131 0.030 1 724 500 68 LEU HD1 H 0.783 0.030 1 725 500 68 LEU HD2 H 0.700 0.030 1 726 500 68 LEU C C 178.429 0.300 1 727 500 68 LEU CA C 57.736 0.300 1 728 500 68 LEU CB C 40.873 0.300 1 729 500 68 LEU CG C 27.487 0.300 1 730 500 68 LEU CD1 C 27.760 0.300 2 731 500 68 LEU CD2 C 25.487 0.300 2 732 500 68 LEU N N 120.572 0.300 1 733 501 69 ILE H H 8.294 0.030 1 734 501 69 ILE HA H 3.617 0.030 1 735 501 69 ILE HB H 1.885 0.030 1 736 501 69 ILE HG12 H 1.571 0.030 2 737 501 69 ILE HG13 H 0.999 0.030 2 738 501 69 ILE HG2 H 0.872 0.030 1 739 501 69 ILE HD1 H 0.705 0.030 1 740 501 69 ILE C C 179.658 0.300 1 741 501 69 ILE CA C 65.736 0.300 1 742 501 69 ILE CB C 37.487 0.300 1 743 501 69 ILE CG1 C 28.601 0.300 1 744 501 69 ILE CG2 C 16.980 0.300 1 745 501 69 ILE CD1 C 13.340 0.300 1 746 501 69 ILE N N 120.368 0.300 1 747 502 70 ASP H H 8.361 0.030 1 748 502 70 ASP HA H 4.418 0.030 1 749 502 70 ASP HB2 H 2.816 0.030 2 750 502 70 ASP HB3 H 2.712 0.030 2 751 502 70 ASP C C 176.887 0.300 1 752 502 70 ASP CA C 56.808 0.300 1 753 502 70 ASP CB C 40.669 0.300 1 754 502 70 ASP N N 119.156 0.300 1 755 503 71 ALA H H 7.592 0.030 1 756 503 71 ALA HA H 4.497 0.030 1 757 503 71 ALA HB H 1.784 0.030 1 758 503 71 ALA C C 177.940 0.300 1 759 503 71 ALA CA C 52.479 0.300 1 760 503 71 ALA CB C 20.328 0.300 1 761 503 71 ALA N N 120.958 0.300 1 762 504 72 CYS H H 7.450 0.030 1 763 504 72 CYS HA H 4.558 0.030 1 764 504 72 CYS HB2 H 3.244 0.030 2 765 504 72 CYS HB3 H 2.751 0.030 2 766 504 72 CYS C C 175.197 0.300 1 767 504 72 CYS CA C 61.793 0.300 1 768 504 72 CYS CB C 30.127 0.300 1 769 504 72 CYS N N 116.656 0.300 1 770 505 73 LEU H H 9.092 0.030 1 771 505 73 LEU HA H 4.612 0.030 1 772 505 73 LEU HB2 H 1.633 0.030 1 773 505 73 LEU HB3 H 1.633 0.030 1 774 505 73 LEU HG H 1.737 0.030 1 775 505 73 LEU HD1 H 0.941 0.030 1 776 505 73 LEU HD2 H 0.889 0.030 1 777 505 73 LEU C C 175.562 0.300 1 778 505 73 LEU CA C 54.282 0.300 1 779 505 73 LEU CB C 43.634 0.300 1 780 505 73 LEU CG C 27.237 0.300 1 781 505 73 LEU CD1 C 24.885 0.300 2 782 505 73 LEU CD2 C 24.612 0.300 2 783 505 73 LEU N N 123.469 0.300 1 784 506 74 GLU H H 8.559 0.030 1 785 506 74 GLU HA H 5.483 0.030 1 786 506 74 GLU HB2 H 2.058 0.030 2 787 506 74 GLU HB3 H 1.824 0.030 2 788 506 74 GLU HG2 H 2.167 0.030 2 789 506 74 GLU HG3 H 2.026 0.030 2 790 506 74 GLU C C 176.154 0.300 1 791 506 74 GLU CA C 54.884 0.300 1 792 506 74 GLU CB C 31.760 0.300 1 793 506 74 GLU CG C 36.362 0.300 1 794 506 74 GLU N N 124.299 0.300 1 795 507 75 GLU H H 9.207 0.030 1 796 507 75 GLU HA H 4.560 0.030 1 797 507 75 GLU HB2 H 2.025 0.030 2 798 507 75 GLU HB3 H 1.945 0.030 2 799 507 75 GLU HG2 H 2.178 0.030 2 800 507 75 GLU HG3 H 2.018 0.030 2 801 507 75 GLU C C 175.788 0.300 1 802 507 75 GLU CA C 56.316 0.300 1 803 507 75 GLU CB C 32.737 0.300 1 804 507 75 GLU CG C 36.362 0.300 1 805 507 75 GLU N N 126.469 0.300 1 806 508 76 ASP H H 9.506 0.030 1 807 508 76 ASP HA H 4.359 0.030 1 808 508 76 ASP HB2 H 3.058 0.030 2 809 508 76 ASP HB3 H 2.592 0.030 2 810 508 76 ASP C C 175.706 0.300 1 811 508 76 ASP CA C 55.373 0.300 1 812 508 76 ASP CB C 40.248 0.300 1 813 508 76 ASP N N 128.572 0.300 1 814 509 77 GLY H H 8.946 0.030 1 815 509 77 GLY HA2 H 4.137 0.030 2 816 509 77 GLY HA3 H 3.725 0.030 2 817 509 77 GLY C C 173.899 0.300 1 818 509 77 GLY CA C 45.680 0.300 1 819 509 77 GLY N N 104.094 0.300 1 820 510 78 LYS H H 7.967 0.030 1 821 510 78 LYS HA H 4.557 0.030 1 822 510 78 LYS HB2 H 1.973 0.030 2 823 510 78 LYS HB3 H 1.505 0.030 2 824 510 78 LYS HG2 H 1.440 0.030 2 825 510 78 LYS HG3 H 1.386 0.030 2 826 510 78 LYS HD2 H 1.694 0.030 1 827 510 78 LYS HD3 H 1.694 0.030 1 828 510 78 LYS HE2 H 3.089 0.030 1 829 510 78 LYS HE3 H 3.089 0.030 1 830 510 78 LYS C C 173.603 0.300 1 831 510 78 LYS CA C 54.960 0.300 1 832 510 78 LYS CB C 35.407 0.300 1 833 510 78 LYS CG C 25.576 0.300 1 834 510 78 LYS CD C 29.101 0.300 1 835 510 78 LYS CE C 42.362 0.300 1 836 510 78 LYS N N 121.902 0.300 1 837 511 79 LEU H H 8.314 0.030 1 838 511 79 LEU HA H 5.211 0.030 1 839 511 79 LEU HB2 H 2.382 0.030 2 840 511 79 LEU HB3 H 1.251 0.030 2 841 511 79 LEU HG H 1.701 0.030 1 842 511 79 LEU HD1 H 0.909 0.030 1 843 511 79 LEU HD2 H 0.817 0.030 1 844 511 79 LEU C C 176.742 0.300 1 845 511 79 LEU CA C 53.600 0.300 1 846 511 79 LEU CB C 43.713 0.300 1 847 511 79 LEU CG C 27.078 0.300 1 848 511 79 LEU CD1 C 26.056 0.300 2 849 511 79 LEU CD2 C 23.157 0.300 2 850 511 79 LEU N N 121.208 0.300 1 851 512 80 TYR H H 9.064 0.030 1 852 512 80 TYR HA H 5.835 0.030 1 853 512 80 TYR HB2 H 2.888 0.030 2 854 512 80 TYR HB3 H 2.724 0.030 2 855 512 80 TYR HD1 H 6.891 0.030 1 856 512 80 TYR HD2 H 6.891 0.030 1 857 512 80 TYR HE1 H 6.820 0.030 1 858 512 80 TYR HE2 H 6.820 0.030 1 859 512 80 TYR C C 175.049 0.300 1 860 512 80 TYR CA C 56.918 0.300 1 861 512 80 TYR CB C 43.503 0.300 1 862 512 80 TYR CD1 C 133.438 0.300 1 863 512 80 TYR CD2 C 133.438 0.300 1 864 512 80 TYR CE1 C 118.012 0.300 1 865 512 80 TYR CE2 C 118.012 0.300 1 866 512 80 TYR N N 116.980 0.300 1 867 513 81 LEU H H 8.796 0.030 1 868 513 81 LEU HA H 4.840 0.030 1 869 513 81 LEU HB2 H 1.777 0.030 2 870 513 81 LEU HB3 H 1.715 0.030 2 871 513 81 LEU HG H 1.889 0.030 1 872 513 81 LEU HD1 H 0.913 0.030 1 873 513 81 LEU HD2 H 1.077 0.030 1 874 513 81 LEU C C 176.202 0.300 1 875 513 81 LEU CA C 53.885 0.300 1 876 513 81 LEU CB C 46.609 0.300 1 877 513 81 LEU CG C 27.476 0.300 1 878 513 81 LEU CD1 C 26.451 0.300 2 879 513 81 LEU CD2 C 25.123 0.300 2 880 513 81 LEU N N 122.254 0.300 1 881 514 82 CYS H H 8.472 0.030 1 882 514 82 CYS HA H 5.204 0.030 1 883 514 82 CYS HB2 H 2.760 0.030 2 884 514 82 CYS HB3 H 2.409 0.030 2 885 514 82 CYS C C 174.657 0.300 1 886 514 82 CYS CA C 59.519 0.300 1 887 514 82 CYS CB C 28.703 0.300 1 888 514 82 CYS N N 121.074 0.300 1 889 515 83 VAL H H 8.655 0.030 1 890 515 83 VAL HA H 4.511 0.030 1 891 515 83 VAL HB H 2.038 0.030 1 892 515 83 VAL HG1 H 0.813 0.030 1 893 515 83 VAL HG2 H 0.780 0.030 1 894 515 83 VAL C C 174.141 0.300 1 895 515 83 VAL CA C 60.235 0.300 1 896 515 83 VAL CB C 35.476 0.300 1 897 515 83 VAL CG1 C 21.601 0.300 2 898 515 83 VAL CG2 C 20.294 0.300 2 899 515 83 VAL N N 118.708 0.300 1 900 516 84 SER H H 8.389 0.030 1 901 516 84 SER HA H 5.441 0.030 1 902 516 84 SER HB2 H 3.999 0.030 2 903 516 84 SER HB3 H 3.714 0.030 2 904 516 84 SER C C 171.981 0.300 1 905 516 84 SER CA C 57.338 0.300 1 906 516 84 SER CB C 66.055 0.300 1 907 516 84 SER N N 116.447 0.300 1 908 517 85 SER H H 9.444 0.030 1 909 517 85 SER HA H 4.907 0.030 1 910 517 85 SER HB2 H 4.184 0.030 2 911 517 85 SER HB3 H 3.331 0.030 2 912 517 85 SER C C 172.729 0.300 1 913 517 85 SER CA C 55.668 0.300 1 914 517 85 SER CB C 65.225 0.300 1 915 517 85 SER N N 122.930 0.300 1 916 518 86 PRO HA H 4.302 0.030 1 917 518 86 PRO HB2 H 1.890 0.030 2 918 518 86 PRO HB3 H 2.461 0.030 2 919 518 86 PRO HG2 H 2.253 0.030 2 920 518 86 PRO HG3 H 2.019 0.030 2 921 518 86 PRO HD2 H 3.931 0.030 2 922 518 86 PRO HD3 H 3.593 0.030 2 923 518 86 PRO C C 177.837 0.300 1 924 518 86 PRO CA C 65.872 0.300 1 925 518 86 PRO CB C 32.351 0.300 1 926 518 86 PRO CG C 28.578 0.300 1 927 518 86 PRO CD C 51.248 0.300 1 928 519 87 THR H H 7.777 0.030 1 929 519 87 THR HA H 4.437 0.030 1 930 519 87 THR HB H 4.125 0.030 1 931 519 87 THR HG2 H 1.149 0.030 1 932 519 87 THR C C 174.711 0.300 1 933 519 87 THR CA C 61.932 0.300 1 934 519 87 THR CB C 70.724 0.300 1 935 519 87 THR CG2 C 21.817 0.300 1 936 519 87 THR N N 103.332 0.300 1 937 520 88 ILE H H 7.613 0.030 1 938 520 88 ILE HA H 4.328 0.030 1 939 520 88 ILE HB H 1.884 0.030 1 940 520 88 ILE HG12 H 1.485 0.030 2 941 520 88 ILE HG13 H 1.124 0.030 2 942 520 88 ILE HG2 H 0.908 0.030 1 943 520 88 ILE HD1 H 0.815 0.030 1 944 520 88 ILE C C 173.294 0.300 1 945 520 88 ILE CA C 60.431 0.300 1 946 520 88 ILE CB C 39.294 0.300 1 947 520 88 ILE CG1 C 27.113 0.300 1 948 520 88 ILE CG2 C 18.272 0.300 1 949 520 88 ILE CD1 C 12.943 0.300 1 950 520 88 ILE N N 124.844 0.300 1 951 521 89 LYS H H 8.457 0.030 1 952 521 89 LYS HA H 4.559 0.030 1 953 521 89 LYS HB2 H 1.729 0.030 1 954 521 89 LYS HB3 H 1.729 0.030 1 955 521 89 LYS HG2 H 1.410 0.030 2 956 521 89 LYS HG3 H 1.322 0.030 2 957 521 89 LYS HD2 H 1.615 0.030 1 958 521 89 LYS HD3 H 1.615 0.030 1 959 521 89 LYS HE2 H 2.970 0.030 2 960 521 89 LYS HE3 H 2.890 0.030 2 961 521 89 LYS C C 176.026 0.300 1 962 521 89 LYS CA C 54.373 0.300 1 963 521 89 LYS CB C 33.078 0.300 1 964 521 89 LYS CG C 24.624 0.300 1 965 521 89 LYS CD C 28.753 0.300 1 966 521 89 LYS CE C 42.439 0.300 1 967 521 89 LYS N N 125.356 0.300 1 968 522 90 ASP H H 8.849 0.030 1 969 522 90 ASP HA H 3.921 0.030 1 970 522 90 ASP HB2 H 2.729 0.030 2 971 522 90 ASP HB3 H 2.652 0.030 2 972 522 90 ASP C C 174.326 0.300 1 973 522 90 ASP CA C 55.294 0.300 1 974 522 90 ASP CB C 39.509 0.300 1 975 522 90 ASP N N 122.834 0.300 1 976 523 91 LYS H H 8.691 0.030 1 977 523 91 LYS HA H 4.631 0.030 1 978 523 91 LYS HB2 H 1.927 0.030 2 979 523 91 LYS HB3 H 1.658 0.030 2 980 523 91 LYS HG2 H 1.430 0.030 1 981 523 91 LYS HG3 H 1.430 0.030 1 982 523 91 LYS HD2 H 1.680 0.030 2 983 523 91 LYS HD3 H 1.593 0.030 2 984 523 91 LYS HE2 H 3.073 0.030 2 985 523 91 LYS HE3 H 3.008 0.030 2 986 523 91 LYS C C 175.013 0.300 1 987 523 91 LYS CA C 53.679 0.300 1 988 523 91 LYS CB C 34.365 0.300 1 989 523 91 LYS CG C 24.724 0.300 1 990 523 91 LYS CD C 29.237 0.300 1 991 523 91 LYS CE C 42.849 0.300 1 992 523 91 LYS N N 122.402 0.300 1 993 524 92 PRO HA H 4.832 0.030 1 994 524 92 PRO HB2 H 1.779 0.030 2 995 524 92 PRO HB3 H 2.004 0.030 2 996 524 92 PRO HG2 H 1.824 0.030 1 997 524 92 PRO HG3 H 1.824 0.030 1 998 524 92 PRO HD2 H 3.675 0.030 2 999 524 92 PRO HD3 H 4.249 0.030 2 1000 524 92 PRO C C 176.661 0.300 1 1001 524 92 PRO CA C 62.883 0.300 1 1002 524 92 PRO CB C 31.759 0.300 1 1003 524 92 PRO CG C 27.988 0.300 1 1004 524 92 PRO CD C 51.259 0.300 1 1005 525 93 VAL H H 9.299 0.030 1 1006 525 93 VAL HA H 4.834 0.030 1 1007 525 93 VAL HB H 2.459 0.030 1 1008 525 93 VAL HG1 H 0.949 0.030 1 1009 525 93 VAL HG2 H 1.042 0.030 1 1010 525 93 VAL C C 174.558 0.300 1 1011 525 93 VAL CA C 59.782 0.300 1 1012 525 93 VAL CB C 33.112 0.300 1 1013 525 93 VAL CG1 C 22.635 0.300 2 1014 525 93 VAL CG2 C 20.215 0.300 2 1015 525 93 VAL N N 123.014 0.300 1 1016 526 94 GLN H H 8.613 0.030 1 1017 526 94 GLN HA H 4.634 0.030 1 1018 526 94 GLN HB2 H 1.942 0.030 2 1019 526 94 GLN HB3 H 1.894 0.030 2 1020 526 94 GLN HG2 H 2.281 0.030 2 1021 526 94 GLN HG3 H 2.139 0.030 2 1022 526 94 GLN HE21 H 7.766 0.030 2 1023 526 94 GLN HE22 H 7.119 0.030 2 1024 526 94 GLN C C 175.014 0.300 1 1025 526 94 GLN CA C 55.054 0.300 1 1026 526 94 GLN CB C 29.987 0.300 1 1027 526 94 GLN CG C 34.385 0.300 1 1028 526 94 GLN N N 123.788 0.300 1 1029 526 94 GLN NE2 N 110.708 0.300 1 1030 527 95 ILE H H 8.436 0.030 1 1031 527 95 ILE HA H 4.980 0.030 1 1032 527 95 ILE HB H 1.911 0.030 1 1033 527 95 ILE HG12 H 1.697 0.030 2 1034 527 95 ILE HG13 H 1.440 0.030 2 1035 527 95 ILE HG2 H 0.663 0.030 1 1036 527 95 ILE HD1 H 0.845 0.030 1 1037 527 95 ILE C C 176.322 0.300 1 1038 527 95 ILE CA C 57.282 0.300 1 1039 527 95 ILE CB C 38.385 0.300 1 1040 527 95 ILE CG1 C 27.353 0.300 1 1041 527 95 ILE CG2 C 17.612 0.300 1 1042 527 95 ILE CD1 C 11.885 0.300 1 1043 527 95 ILE N N 126.299 0.300 1 1044 528 96 ARG H H 9.243 0.030 1 1045 528 96 ARG HA H 5.090 0.030 1 1046 528 96 ARG HB2 H 2.099 0.030 2 1047 528 96 ARG HB3 H 1.816 0.030 2 1048 528 96 ARG HG2 H 1.709 0.030 2 1049 528 96 ARG HG3 H 1.630 0.030 2 1050 528 96 ARG HD2 H 3.045 0.030 2 1051 528 96 ARG HD3 H 2.951 0.030 2 1052 528 96 ARG C C 173.365 0.300 1 1053 528 96 ARG CA C 53.100 0.300 1 1054 528 96 ARG CB C 33.464 0.300 1 1055 528 96 ARG CG C 27.078 0.300 1 1056 528 96 ARG CD C 43.805 0.300 1 1057 528 96 ARG N N 124.662 0.300 1 1058 529 97 PRO HA H 4.639 0.030 1 1059 529 97 PRO HB2 H 1.957 0.030 2 1060 529 97 PRO HB3 H 2.262 0.030 2 1061 529 97 PRO HG2 H 2.111 0.030 2 1062 529 97 PRO HG3 H 1.677 0.030 2 1063 529 97 PRO HD2 H 3.826 0.030 2 1064 529 97 PRO HD3 H 3.594 0.030 2 1065 529 97 PRO C C 175.483 0.300 1 1066 529 97 PRO CA C 63.614 0.300 1 1067 529 97 PRO CB C 31.959 0.300 1 1068 529 97 PRO CG C 27.839 0.300 1 1069 529 97 PRO CD C 51.009 0.300 1 1070 530 98 TRP H H 8.735 0.030 1 1071 530 98 TRP HA H 4.665 0.030 1 1072 530 98 TRP HB2 H 3.306 0.030 2 1073 530 98 TRP HB3 H 3.115 0.030 2 1074 530 98 TRP HD1 H 7.062 0.030 1 1075 530 98 TRP HE1 H 9.871 0.030 1 1076 530 98 TRP HE3 H 7.438 0.030 1 1077 530 98 TRP HZ2 H 7.331 0.030 1 1078 530 98 TRP HZ3 H 6.749 0.030 1 1079 530 98 TRP HH2 H 6.923 0.030 1 1080 530 98 TRP C C 175.371 0.300 1 1081 530 98 TRP CA C 57.634 0.300 1 1082 530 98 TRP CB C 31.022 0.300 1 1083 530 98 TRP CD1 C 126.813 0.300 1 1084 530 98 TRP CE3 C 120.374 0.300 1 1085 530 98 TRP CZ2 C 114.806 0.300 1 1086 530 98 TRP CZ3 C 121.731 0.300 1 1087 530 98 TRP CH2 C 124.498 0.300 1 1088 530 98 TRP N N 125.560 0.300 1 1089 530 98 TRP NE1 N 129.071 0.300 1 1090 531 99 ASN H H 8.212 0.030 1 1091 531 99 ASN HA H 4.674 0.030 1 1092 531 99 ASN HB2 H 2.686 0.030 2 1093 531 99 ASN HB3 H 2.657 0.030 2 1094 531 99 ASN HD21 H 7.543 0.030 2 1095 531 99 ASN HD22 H 6.842 0.030 2 1096 531 99 ASN C C 174.667 0.300 1 1097 531 99 ASN CA C 52.770 0.300 1 1098 531 99 ASN CB C 39.365 0.300 1 1099 531 99 ASN N N 122.935 0.300 1 1100 531 99 ASN ND2 N 112.833 0.300 1 1101 532 100 LEU H H 7.833 0.030 1 1102 532 100 LEU HA H 4.122 0.030 1 1103 532 100 LEU HB2 H 1.557 0.030 2 1104 532 100 LEU HB3 H 1.491 0.030 2 1105 532 100 LEU HG H 1.491 0.030 1 1106 532 100 LEU HD1 H 0.810 0.030 1 1107 532 100 LEU HD2 H 0.786 0.030 1 1108 532 100 LEU C C 177.505 0.300 1 1109 532 100 LEU CA C 56.009 0.300 1 1110 532 100 LEU CB C 42.191 0.300 1 1111 532 100 LEU CG C 27.112 0.300 1 1112 532 100 LEU CD1 C 24.987 0.300 2 1113 532 100 LEU CD2 C 23.680 0.300 2 1114 532 100 LEU N N 121.336 0.300 1 1115 533 101 SER H H 8.208 0.030 1 1116 533 101 SER HA H 4.371 0.030 1 1117 533 101 SER HB2 H 3.877 0.030 2 1118 533 101 SER HB3 H 3.805 0.030 2 1119 533 101 SER C C 174.615 0.300 1 1120 533 101 SER CA C 58.992 0.300 1 1121 533 101 SER CB C 63.850 0.300 1 1122 533 101 SER N N 114.378 0.300 1 1123 534 102 ASP H H 8.090 0.030 1 1124 534 102 ASP HA H 4.534 0.030 1 1125 534 102 ASP HB2 H 2.500 0.030 2 1126 534 102 ASP HB3 H 2.436 0.030 2 1127 534 102 ASP C C 176.577 0.300 1 1128 534 102 ASP CA C 55.089 0.300 1 1129 534 102 ASP CB C 40.850 0.300 1 1130 534 102 ASP N N 122.481 0.300 1 1131 535 103 SER H H 8.138 0.030 1 1132 535 103 SER HA H 4.360 0.030 1 1133 535 103 SER HB2 H 3.792 0.030 1 1134 535 103 SER HB3 H 3.792 0.030 1 1135 535 103 SER C C 174.319 0.300 1 1136 535 103 SER CA C 58.793 0.300 1 1137 535 103 SER CB C 63.775 0.300 1 1138 535 103 SER N N 115.185 0.300 1 1139 536 104 ASP H H 8.198 0.030 1 1140 536 104 ASP HA H 4.569 0.030 1 1141 536 104 ASP HB2 H 2.561 0.030 2 1142 536 104 ASP HB3 H 2.508 0.030 2 1143 536 104 ASP C C 175.722 0.300 1 1144 536 104 ASP CA C 54.861 0.300 1 1145 536 104 ASP CB C 41.102 0.300 1 1146 536 104 ASP N N 121.537 0.300 1 1147 537 105 PHE H H 7.931 0.030 1 1148 537 105 PHE HA H 4.505 0.030 1 1149 537 105 PHE HB2 H 3.008 0.030 2 1150 537 105 PHE HB3 H 2.928 0.030 2 1151 537 105 PHE HD1 H 7.077 0.030 1 1152 537 105 PHE HD2 H 7.077 0.030 1 1153 537 105 PHE HE1 H 7.174 0.030 1 1154 537 105 PHE HE2 H 7.174 0.030 1 1155 537 105 PHE C C 175.206 0.300 1 1156 537 105 PHE CA C 57.963 0.300 1 1157 537 105 PHE CB C 39.509 0.300 1 1158 537 105 PHE CD1 C 131.711 0.300 1 1159 537 105 PHE CD2 C 131.711 0.300 1 1160 537 105 PHE CE1 C 131.301 0.300 1 1161 537 105 PHE CE2 C 131.301 0.300 1 1162 537 105 PHE N N 119.663 0.300 1 1163 538 106 VAL H H 7.816 0.030 1 1164 538 106 VAL HA H 3.992 0.030 1 1165 538 106 VAL HB H 1.952 0.030 1 1166 538 106 VAL HG1 H 0.851 0.030 1 1167 538 106 VAL HG2 H 0.858 0.030 1 1168 538 106 VAL C C 175.613 0.300 1 1169 538 106 VAL CA C 62.327 0.300 1 1170 538 106 VAL CB C 32.885 0.300 1 1171 538 106 VAL CG1 C 21.227 0.300 2 1172 538 106 VAL CG2 C 20.805 0.300 2 1173 538 106 VAL N N 122.287 0.300 1 1174 539 107 MET H H 8.302 0.030 1 1175 539 107 MET HA H 4.370 0.030 1 1176 539 107 MET HB2 H 2.038 0.030 2 1177 539 107 MET HB3 H 1.955 0.030 2 1178 539 107 MET HG2 H 2.528 0.030 2 1179 539 107 MET HG3 H 2.467 0.030 2 1180 539 107 MET HE H 2.034 0.030 1 1181 539 107 MET C C 175.689 0.300 1 1182 539 107 MET CA C 55.554 0.300 1 1183 539 107 MET CB C 33.063 0.300 1 1184 539 107 MET CG C 32.146 0.300 1 1185 539 107 MET CE C 17.092 0.300 1 1186 539 107 MET N N 123.810 0.300 1 1187 540 108 ASP H H 8.298 0.030 1 1188 540 108 ASP HA H 4.647 0.030 1 1189 540 108 ASP HB2 H 2.733 0.030 2 1190 540 108 ASP HB3 H 2.662 0.030 2 1191 540 108 ASP C C 175.998 0.300 1 1192 540 108 ASP CA C 54.429 0.300 1 1193 540 108 ASP CB C 41.424 0.300 1 1194 540 108 ASP N N 121.594 0.300 1 1195 541 109 SER H H 8.286 0.030 1 1196 541 109 SER HA H 4.440 0.030 1 1197 541 109 SER HB2 H 3.854 0.030 2 1198 541 109 SER C C 174.644 0.300 1 1199 541 109 SER CA C 58.343 0.300 1 1200 541 109 SER CB C 63.896 0.300 1 1201 541 109 SER N N 116.178 0.300 1 1202 542 110 GLY H H 8.316 0.030 1 1203 542 110 GLY HA2 H 4.110 0.030 1 1204 542 110 GLY HA3 H 4.110 0.030 1 1205 542 110 GLY C C 171.820 0.300 1 1206 542 110 GLY CA C 44.759 0.300 1 1207 542 110 GLY N N 110.708 0.300 1 1208 543 111 PRO HA H 4.480 0.030 1 1209 543 111 PRO HB2 H 1.977 0.030 2 1210 543 111 PRO HB3 H 2.278 0.030 2 1211 543 111 PRO HG2 H 2.003 0.030 1 1212 543 111 PRO HG3 H 2.003 0.030 1 1213 543 111 PRO HD2 H 3.622 0.030 2 1214 543 111 PRO HD3 H 3.587 0.030 2 1215 543 111 PRO C C 177.351 0.300 1 1216 543 111 PRO CA C 63.281 0.300 1 1217 543 111 PRO CB C 32.193 0.300 1 1218 543 111 PRO CG C 27.294 0.300 1 1219 543 111 PRO CD C 49.793 0.300 1 1220 544 112 SER H H 8.518 0.030 1 1221 544 112 SER HA H 4.454 0.030 1 1222 544 112 SER HB2 H 3.868 0.030 2 1223 544 112 SER C C 174.657 0.300 1 1224 544 112 SER CA C 58.302 0.300 1 1225 544 112 SER CB C 63.855 0.300 1 1226 544 112 SER N N 116.392 0.300 1 1227 545 113 SER H H 8.321 0.030 1 1228 545 113 SER HA H 4.454 0.030 1 1229 545 113 SER HB2 H 3.849 0.030 2 1230 545 113 SER C C 173.899 0.300 1 1231 545 113 SER CA C 58.343 0.300 1 1232 545 113 SER CB C 63.977 0.300 1 1233 545 113 SER N N 117.851 0.300 1 1234 546 114 GLY H H 8.043 0.030 1 1235 546 114 GLY C C 178.959 0.300 1 1236 546 114 GLY CA C 46.101 0.300 1 1237 546 114 GLY N N 116.829 0.300 1 stop_ save_