data_16773 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF CI-MPR domain 5 bound to N-acetylglucosaminyl 6-phosphomethylmannoside ; _BMRB_accession_number 16773 _BMRB_flat_file_name bmr16773.str _Entry_type original _Submission_date 2010-03-10 _Accession_date 2010-03-10 _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 Olson L. J. . 2 Peterson F. C. . 3 Volkman B. F. . 4 Dahms N. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 785 "13C chemical shifts" 570 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-03 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16772 'CI-MPR domain5 (apo form)' stop_ _Original_release_date 2012-08-03 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for recognition of phosphodiester-containing lysosomal enzymes by the cation-independent mannose 6-phosphate receptor.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20615935 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Olson L. J. . 2 Peterson F. C. . 3 Castonguay A. . . 4 Bohnsack R. N. . 5 Kudo M. . . 6 Gotschall R. R. . 7 Canfield W. M. . 8 Volkman B. F. . 9 Dahms N. M. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 107 _Journal_issue 28 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 12493 _Page_last 12498 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CI-MPR domain5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CI-MPR domain5' $CI-MPR_domain5 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_CI-MPR_domain5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CI-MPR_domain5 _Molecular_mass 16759.471 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; EAEAEFLSRTEGDNCTVFDS QAGFSFDLTPLTKKDAYKVE TDKYEFHINVCGPVSVGACP PDSGACQVSRSDRKSWNLGR SNAKLSYYDGMIQLTYRDGT PYNNEKRTPRATLITFLCDR DAGVGFPEYQEEDNSTYNFR WYTSYACP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 578 GLU 2 579 ALA 3 580 GLU 4 581 ALA 5 582 GLU 6 583 PHE 7 584 LEU 8 585 SER 9 586 ARG 10 587 THR 11 588 GLU 12 589 GLY 13 590 ASP 14 591 ASN 15 592 CYS 16 593 THR 17 594 VAL 18 595 PHE 19 596 ASP 20 597 SER 21 598 GLN 22 599 ALA 23 600 GLY 24 601 PHE 25 602 SER 26 603 PHE 27 604 ASP 28 605 LEU 29 606 THR 30 607 PRO 31 608 LEU 32 609 THR 33 610 LYS 34 611 LYS 35 612 ASP 36 613 ALA 37 614 TYR 38 615 LYS 39 616 VAL 40 617 GLU 41 618 THR 42 619 ASP 43 620 LYS 44 621 TYR 45 622 GLU 46 623 PHE 47 624 HIS 48 625 ILE 49 626 ASN 50 627 VAL 51 628 CYS 52 629 GLY 53 630 PRO 54 631 VAL 55 632 SER 56 633 VAL 57 634 GLY 58 635 ALA 59 636 CYS 60 637 PRO 61 638 PRO 62 639 ASP 63 640 SER 64 641 GLY 65 642 ALA 66 643 CYS 67 644 GLN 68 645 VAL 69 646 SER 70 647 ARG 71 648 SER 72 649 ASP 73 650 ARG 74 651 LYS 75 652 SER 76 653 TRP 77 654 ASN 78 655 LEU 79 656 GLY 80 657 ARG 81 658 SER 82 659 ASN 83 660 ALA 84 661 LYS 85 662 LEU 86 663 SER 87 664 TYR 88 665 TYR 89 666 ASP 90 667 GLY 91 668 MET 92 669 ILE 93 670 GLN 94 671 LEU 95 672 THR 96 673 TYR 97 674 ARG 98 675 ASP 99 676 GLY 100 677 THR 101 678 PRO 102 679 TYR 103 680 ASN 104 681 ASN 105 682 GLU 106 683 LYS 107 684 ARG 108 685 THR 109 686 PRO 110 687 ARG 111 688 ALA 112 689 THR 113 690 LEU 114 691 ILE 115 692 THR 116 693 PHE 117 694 LEU 118 695 CYS 119 696 ASP 120 697 ARG 121 698 ASP 122 699 ALA 123 700 GLY 124 701 VAL 125 702 GLY 126 703 PHE 127 704 PRO 128 705 GLU 129 706 TYR 130 707 GLN 131 708 GLU 132 709 GLU 133 710 ASP 134 711 ASN 135 712 SER 136 713 THR 137 714 TYR 138 715 ASN 139 716 PHE 140 717 ARG 141 718 TRP 142 719 TYR 143 720 THR 144 721 SER 145 722 TYR 146 723 ALA 147 724 CYS 148 725 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 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 BMRB 16772 CI-MPR_domain5 100.00 148 100.00 100.00 1.19e-105 PDB 2KVA "Solution Structure Of Ci-Mpr Ligand-Free Domain 5" 100.00 148 100.00 100.00 1.19e-105 PDB 2KVB "Solution Structure Of Ci-mpr Domain 5 Bound To N-acetylglucosaminyl 6- Phosphomethylmannoside" 100.00 148 100.00 100.00 1.19e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CI-MPR_domain5 cow 9913 Eukaryota Metazoa Bos taurus 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 $CI-MPR_domain5 'recombinant technology' . Pichia pastoris . pPICZ-alpha-A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.25 mM domain-5 U-15N/13C, 8 mM N-acetylglucosaminyl 6-phosphomethylmannoside, 10 mM bis-Tris, 150 mM sodium chloride' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CI-MPR_domain5 1.25 mM '[U-100% 13C; U-100% 15N]' bis-tris 10 mM [U-2H] 'sodium chloride' 150 mM 'natural abundance' 'N-acetylglucosaminyl 6-phosphomethylmannoside' 8 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.3 loop_ _Vendor _Address _Electronic_address SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TopSpin _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 2007 loop_ _Vendor _Address _Electronic_address 'Delagio,F. et al.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Vendor _Address _Electronic_address 'C. Bartels' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Cyana _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structural calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY (AROMATIC)' _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' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 308 . 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 . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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_15N-separated_NOESY 3D_13C-separated_NOESY '3D_13C-separated_NOESY (AROMATIC)' 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 'CI-MPR domain5' _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 1 578 3 GLU C C 175.812 0.200 1 2 579 4 ALA H H 8.046 0.020 1 3 579 4 ALA HA H 4.275 0.020 1 4 579 4 ALA HB H 1.303 0.020 1 5 579 4 ALA CA C 53.211 0.200 1 6 579 4 ALA CB C 19.506 0.200 1 7 579 4 ALA N N 125.551 0.200 1 8 580 5 GLU H H 8.465 0.020 1 9 580 5 GLU HA H 4.327 0.010 1 10 580 5 GLU HB2 H 1.987 0.010 2 11 580 5 GLU HB3 H 1.929 0.010 2 12 580 5 GLU HG2 H 2.245 0.010 2 13 580 5 GLU HG3 H 2.214 0.010 2 14 580 5 GLU C C 175.931 0.200 1 15 580 5 GLU CA C 57.057 0.200 1 16 580 5 GLU CB C 30.940 0.200 1 17 580 5 GLU CG C 36.607 0.200 1 18 580 5 GLU N N 120.827 0.200 1 19 581 6 PHE H H 8.318 0.020 1 20 581 6 PHE HA H 4.673 0.010 1 21 581 6 PHE HB2 H 3.165 0.010 2 22 581 6 PHE HB3 H 3.033 0.010 2 23 581 6 PHE CA C 57.899 0.200 1 24 581 6 PHE CB C 40.102 0.200 1 25 581 6 PHE N N 121.479 0.200 1 26 582 7 LEU H H 8.085 0.020 1 27 582 7 LEU HA H 4.415 0.020 1 28 582 7 LEU HB2 H 1.637 0.010 2 29 582 7 LEU HB3 H 1.637 0.010 2 30 582 7 LEU HD1 H 0.897 0.010 2 31 582 7 LEU HD2 H 0.866 0.010 2 32 582 7 LEU HG H 1.572 0.010 1 33 582 7 LEU C C 174.259 0.200 1 34 582 7 LEU CA C 55.421 0.200 1 35 582 7 LEU CB C 43.084 0.200 1 36 582 7 LEU CD1 C 25.366 0.200 1 37 582 7 LEU CD2 C 24.072 0.200 1 38 582 7 LEU CG C 27.576 0.200 1 39 582 7 LEU N N 123.994 0.200 1 40 583 8 SER H H 8.111 0.020 1 41 583 8 SER HA H 4.563 0.009 1 42 583 8 SER HB3 H 3.936 0.010 2 43 583 8 SER C C 174.130 0.200 1 44 583 8 SER CA C 58.536 0.200 1 45 583 8 SER CB C 64.919 0.200 1 46 583 8 SER N N 116.302 0.200 1 47 584 9 ARG H H 8.346 0.020 1 48 584 9 ARG HA H 4.989 0.020 1 49 584 9 ARG HB2 H 1.841 0.020 2 50 584 9 ARG HB3 H 1.777 0.010 2 51 584 9 ARG HD2 H 3.139 0.015 2 52 584 9 ARG HD3 H 3.086 0.016 2 53 584 9 ARG HG2 H 1.581 0.020 2 54 584 9 ARG HG3 H 1.490 0.020 2 55 584 9 ARG C C 176.231 0.200 1 56 584 9 ARG CA C 56.428 0.200 1 57 584 9 ARG CB C 32.376 0.102 1 58 584 9 ARG CD C 44.132 0.200 1 59 584 9 ARG CG C 27.718 0.200 1 60 584 9 ARG N N 123.531 0.200 1 61 585 10 THR H H 8.799 0.020 1 62 585 10 THR HA H 4.703 0.015 1 63 585 10 THR HB H 4.316 0.020 1 64 585 10 THR HG2 H 1.433 0.020 1 65 585 10 THR C C 173.377 0.200 1 66 585 10 THR CA C 62.725 0.200 1 67 585 10 THR CB C 71.278 0.200 1 68 585 10 THR CG2 C 22.682 0.200 1 69 585 10 THR N N 120.600 0.200 1 70 586 11 GLU H H 8.688 0.020 1 71 586 11 GLU HA H 5.159 0.020 1 72 586 11 GLU HB2 H 2.192 0.020 2 73 586 11 GLU HB3 H 2.005 0.020 2 74 586 11 GLU HG2 H 2.357 0.015 2 75 586 11 GLU HG3 H 2.303 0.010 2 76 586 11 GLU C C 176.589 0.200 1 77 586 11 GLU CA C 55.907 0.200 1 78 586 11 GLU CB C 32.808 0.200 1 79 586 11 GLU CG C 36.967 0.200 1 80 586 11 GLU N N 125.265 0.200 1 81 587 12 GLY H H 8.942 0.020 1 82 587 12 GLY HA2 H 4.597 0.020 2 83 587 12 GLY HA3 H 4.477 0.020 2 84 587 12 GLY C C 172.971 0.200 1 85 587 12 GLY CA C 44.901 0.200 1 86 587 12 GLY N N 112.806 0.200 1 87 588 13 ASP H H 8.194 0.020 1 88 588 13 ASP HA H 5.193 0.020 1 89 588 13 ASP HB2 H 2.665 0.020 2 90 588 13 ASP HB3 H 2.665 0.020 2 91 588 13 ASP C C 176.486 0.200 1 92 588 13 ASP CA C 53.327 0.200 1 93 588 13 ASP CB C 43.809 0.200 1 94 588 13 ASP N N 117.475 0.200 1 95 589 14 ASN H H 9.454 0.020 1 96 589 14 ASN HA H 4.496 0.009 1 97 589 14 ASN HB2 H 3.042 0.020 2 98 589 14 ASN HB3 H 2.914 0.009 2 99 589 14 ASN HD21 H 8.586 0.020 2 100 589 14 ASN HD22 H 6.556 0.020 2 101 589 14 ASN C C 174.340 0.200 1 102 589 14 ASN CA C 54.042 0.200 1 103 589 14 ASN CB C 38.469 0.200 1 104 589 14 ASN N N 117.443 0.200 1 105 589 14 ASN ND2 N 131.642 0.200 1 106 590 15 CYS H H 9.966 0.020 1 107 590 15 CYS HA H 3.803 0.020 1 108 590 15 CYS HB2 H 2.821 0.020 2 109 590 15 CYS HB3 H 3.889 0.020 2 110 590 15 CYS C C 173.004 0.200 1 111 590 15 CYS CA C 59.999 0.200 1 112 590 15 CYS CB C 42.515 0.200 1 113 590 15 CYS N N 118.872 0.200 1 114 591 16 THR H H 7.548 0.020 1 115 591 16 THR HA H 5.334 0.020 1 116 591 16 THR HB H 4.271 0.020 1 117 591 16 THR HG2 H 1.236 0.008 1 118 591 16 THR C C 172.794 0.200 1 119 591 16 THR CA C 59.907 0.200 1 120 591 16 THR CB C 73.816 0.200 1 121 591 16 THR CG2 C 21.449 0.200 1 122 591 16 THR N N 107.574 0.200 1 123 592 17 VAL H H 8.456 0.020 1 124 592 17 VAL HA H 4.578 0.010 1 125 592 17 VAL HB H 2.213 0.008 1 126 592 17 VAL HG1 H 0.982 0.007 2 127 592 17 VAL HG2 H 0.875 0.020 2 128 592 17 VAL C C 171.878 0.200 1 129 592 17 VAL CA C 61.985 0.200 1 130 592 17 VAL CB C 34.306 0.200 1 131 592 17 VAL CG1 C 22.991 0.200 1 132 592 17 VAL CG2 C 20.421 0.200 1 133 592 17 VAL N N 117.346 0.200 1 134 593 18 PHE H H 8.335 0.020 1 135 593 18 PHE HA H 5.231 0.020 1 136 593 18 PHE HB2 H 3.090 0.020 2 137 593 18 PHE HB3 H 3.051 0.020 2 138 593 18 PHE HD1 H 7.165 0.020 1 139 593 18 PHE HD2 H 7.165 0.020 1 140 593 18 PHE HE1 H 7.274 0.020 1 141 593 18 PHE HE2 H 7.274 0.020 1 142 593 18 PHE HZ H 7.291 0.020 1 143 593 18 PHE C C 174.025 0.200 1 144 593 18 PHE CA C 56.104 0.200 1 145 593 18 PHE CB C 42.191 0.200 1 146 593 18 PHE CD1 C 132.565 0.200 1 147 593 18 PHE CE1 C 131.789 0.200 1 148 593 18 PHE CZ C 129.977 0.200 1 149 593 18 PHE N N 126.274 0.200 1 150 594 19 ASP H H 8.059 0.020 1 151 594 19 ASP HA H 4.719 0.020 1 152 594 19 ASP HB2 H 2.376 0.020 2 153 594 19 ASP HB3 H 2.208 0.020 2 154 594 19 ASP C C 176.388 0.200 1 155 594 19 ASP CA C 53.397 0.200 1 156 594 19 ASP CB C 43.809 0.200 1 157 594 19 ASP N N 122.302 0.200 1 158 595 20 SER H H 8.664 0.020 1 159 595 20 SER HA H 4.046 0.020 1 160 595 20 SER HB3 H 3.932 0.020 2 161 595 20 SER C C 175.946 0.200 1 162 595 20 SER CA C 60.634 0.200 1 163 595 20 SER CB C 63.962 0.200 1 164 595 20 SER N N 121.383 0.200 1 165 596 21 GLN H H 8.220 0.020 1 166 596 21 GLN HA H 4.196 0.020 1 167 596 21 GLN HB2 H 2.248 0.020 2 168 596 21 GLN HB3 H 2.217 0.015 2 169 596 21 GLN HE21 H 7.570 0.020 2 170 596 21 GLN HE22 H 6.845 0.020 2 171 596 21 GLN HG2 H 2.462 0.020 2 172 596 21 GLN HG3 H 2.393 0.020 2 173 596 21 GLN C C 177.357 0.200 1 174 596 21 GLN CA C 58.614 0.200 1 175 596 21 GLN CB C 28.823 0.200 1 176 596 21 GLN CG C 34.817 0.200 1 177 596 21 GLN N N 122.048 0.200 1 178 596 21 GLN NE2 N 112.387 0.200 1 179 597 22 ALA H H 7.956 0.020 1 180 597 22 ALA HA H 4.173 0.020 1 181 597 22 ALA HB H 1.006 0.007 1 182 597 22 ALA C C 178.423 0.200 1 183 597 22 ALA CA C 52.613 0.200 1 184 597 22 ALA CB C 19.955 0.200 1 185 597 22 ALA N N 120.539 0.200 1 186 598 23 GLY H H 7.823 0.020 1 187 598 23 GLY HA2 H 3.973 0.009 2 188 598 23 GLY HA3 H 3.662 0.009 2 189 598 23 GLY C C 174.400 0.200 1 190 598 23 GLY CA C 46.357 0.200 1 191 598 23 GLY N N 105.439 0.200 1 192 599 24 PHE H H 6.834 0.020 1 193 599 24 PHE HA H 4.964 0.020 1 194 599 24 PHE HB2 H 2.769 0.020 2 195 599 24 PHE HB3 H 2.583 0.020 2 196 599 24 PHE C C 174.259 0.200 1 197 599 24 PHE CA C 54.732 0.200 1 198 599 24 PHE CB C 42.046 0.157 1 199 599 24 PHE N N 116.620 0.200 1 200 600 25 SER H H 8.106 0.020 1 201 600 25 SER HA H 4.938 0.020 1 202 600 25 SER HB2 H 3.662 0.020 2 203 600 25 SER C C 172.674 0.200 1 204 600 25 SER CA C 57.332 0.200 1 205 600 25 SER CB C 65.642 0.200 1 206 600 25 SER N N 116.011 0.200 1 207 601 26 PHE H H 8.779 0.020 1 208 601 26 PHE HA H 4.958 0.020 1 209 601 26 PHE HB2 H 2.814 0.020 2 210 601 26 PHE HB3 H 2.631 0.020 2 211 601 26 PHE HD1 H 6.984 0.020 1 212 601 26 PHE HD2 H 6.984 0.020 1 213 601 26 PHE HE1 H 6.400 0.020 1 214 601 26 PHE HE2 H 6.400 0.020 1 215 601 26 PHE C C 175.195 0.200 1 216 601 26 PHE CA C 57.082 0.200 1 217 601 26 PHE CB C 42.288 0.200 1 218 601 26 PHE CD1 C 132.047 0.200 1 219 601 26 PHE CE1 C 131.271 0.200 1 220 601 26 PHE N N 122.083 0.200 1 221 602 27 ASP H H 9.004 0.020 1 222 602 27 ASP HA H 5.042 0.020 1 223 602 27 ASP HB2 H 2.960 0.020 2 224 602 27 ASP HB3 H 2.576 0.020 2 225 602 27 ASP C C 175.316 0.200 1 226 602 27 ASP CA C 53.787 0.200 1 227 602 27 ASP CB C 42.578 0.200 1 228 602 27 ASP N N 123.191 0.200 1 229 603 28 LEU H H 8.185 0.020 1 230 603 28 LEU HA H 4.312 0.020 1 231 603 28 LEU HB2 H 1.386 0.020 2 232 603 28 LEU HB3 H 1.237 0.020 2 233 603 28 LEU HD1 H -0.106 0.020 2 234 603 28 LEU HD2 H -0.149 0.020 2 235 603 28 LEU HG H 0.955 0.020 1 236 603 28 LEU C C 176.997 0.200 1 237 603 28 LEU CA C 54.528 0.200 1 238 603 28 LEU CB C 41.220 0.200 1 239 603 28 LEU CD1 C 24.709 0.200 1 240 603 28 LEU CD2 C 23.425 0.200 1 241 603 28 LEU CG C 29.249 0.200 1 242 603 28 LEU N N 123.167 0.200 1 243 604 29 THR H H 8.770 0.020 1 244 604 29 THR HA H 4.070 0.020 1 245 604 29 THR HB H 4.256 0.020 1 246 604 29 THR HG2 H 1.388 0.020 1 247 604 29 THR CA C 67.753 0.200 1 248 604 29 THR CB C 69.370 0.200 1 249 604 29 THR CG2 C 23.425 0.200 1 250 604 29 THR N N 116.479 0.200 1 251 605 30 PRO HA H 4.357 0.020 1 252 605 30 PRO HB2 H 2.215 0.020 2 253 605 30 PRO HB3 H 0.714 0.015 2 254 605 30 PRO HD2 H 3.672 0.020 2 255 605 30 PRO HD3 H 2.804 0.020 2 256 605 30 PRO HG2 H 1.662 0.020 2 257 605 30 PRO HG3 H 1.662 0.020 2 258 605 30 PRO C C 176.696 0.200 1 259 605 30 PRO CA C 65.541 0.200 1 260 605 30 PRO CB C 31.604 0.200 1 261 605 30 PRO CD C 51.251 0.200 1 262 605 30 PRO CG C 28.540 0.200 1 263 606 31 LEU H H 7.970 0.020 1 264 606 31 LEU HA H 4.219 0.020 1 265 606 31 LEU HB2 H 1.677 0.020 2 266 606 31 LEU HB3 H 1.432 0.020 2 267 606 31 LEU HD1 H 0.552 0.020 2 268 606 31 LEU HD2 H 0.324 0.020 2 269 606 31 LEU HG H 1.485 0.020 1 270 606 31 LEU C C 179.233 0.200 1 271 606 31 LEU CA C 56.264 0.200 1 272 606 31 LEU CB C 41.738 0.207 1 273 606 31 LEU CD1 C 25.149 0.200 1 274 606 31 LEU CD2 C 25.690 0.200 1 275 606 31 LEU CG C 29.572 0.200 1 276 606 31 LEU N N 114.215 0.200 1 277 607 32 THR H H 7.938 0.020 1 278 607 32 THR HA H 4.246 0.020 1 279 607 32 THR HB H 4.025 0.020 1 280 607 32 THR HG2 H 1.255 0.020 1 281 607 32 THR C C 174.910 0.200 1 282 607 32 THR CA C 66.096 0.200 1 283 607 32 THR CB C 69.534 0.200 1 284 607 32 THR CG2 C 22.169 0.200 1 285 607 32 THR N N 119.564 0.200 1 286 608 33 LYS H H 9.098 0.020 1 287 608 33 LYS HA H 4.771 0.020 1 288 608 33 LYS HB2 H 1.826 0.010 2 289 608 33 LYS HB3 H 1.567 0.020 2 290 608 33 LYS HD2 H 1.100 0.020 2 291 608 33 LYS HE2 H 2.806 0.010 2 292 608 33 LYS HG2 H 1.508 0.020 2 293 608 33 LYS HG3 H 1.432 0.020 2 294 608 33 LYS C C 177.297 0.200 1 295 608 33 LYS CA C 55.601 0.200 1 296 608 33 LYS CB C 37.175 0.200 1 297 608 33 LYS CD C 29.260 0.200 1 298 608 33 LYS CE C 41.868 0.200 1 299 608 33 LYS CG C 26.013 0.200 1 300 608 33 LYS N N 130.300 0.200 1 301 609 34 LYS H H 8.723 0.020 1 302 609 34 LYS HA H 4.171 0.020 1 303 609 34 LYS HB2 H 1.841 0.020 2 304 609 34 LYS HD2 H 1.726 0.020 2 305 609 34 LYS HE2 H 3.045 0.020 2 306 609 34 LYS HE3 H 3.045 0.020 2 307 609 34 LYS HG2 H 1.487 0.020 2 308 609 34 LYS C C 176.967 0.200 1 309 609 34 LYS CA C 59.016 0.200 1 310 609 34 LYS CB C 32.898 0.200 1 311 609 34 LYS CD C 29.054 0.200 1 312 609 34 LYS CE C 42.760 0.200 1 313 609 34 LYS CG C 25.042 0.200 1 314 609 34 LYS N N 121.658 0.200 1 315 610 35 ASP H H 7.920 0.020 1 316 610 35 ASP HA H 4.767 0.020 1 317 610 35 ASP HB2 H 2.730 0.020 2 318 610 35 ASP C C 174.640 0.200 1 319 610 35 ASP CA C 54.299 0.200 1 320 610 35 ASP CB C 41.115 0.200 1 321 610 35 ASP N N 116.388 0.200 1 322 611 36 ALA H H 8.418 0.020 1 323 611 36 ALA HA H 4.105 0.006 1 324 611 36 ALA HB H 1.660 0.020 1 325 611 36 ALA C C 176.141 0.200 1 326 611 36 ALA CA C 53.516 0.200 1 327 611 36 ALA CB C 21.483 0.200 1 328 611 36 ALA N N 118.502 0.200 1 329 612 37 TYR H H 9.142 0.020 1 330 612 37 TYR HA H 4.599 0.020 1 331 612 37 TYR HB2 H 2.834 0.020 2 332 612 37 TYR HB3 H 2.405 0.020 2 333 612 37 TYR HD1 H 7.427 0.001 1 334 612 37 TYR HD2 H 7.427 0.001 1 335 612 37 TYR HE1 H 7.353 0.020 1 336 612 37 TYR HE2 H 7.353 0.020 1 337 612 37 TYR HH H 10.608 0.020 1 338 612 37 TYR C C 175.015 0.200 1 339 612 37 TYR CA C 58.435 0.200 1 340 612 37 TYR CB C 39.300 0.200 1 341 612 37 TYR CD1 C 134.118 0.200 1 342 612 37 TYR CE1 C 119.105 0.200 1 343 612 37 TYR N N 119.819 0.200 1 344 613 38 LYS H H 8.711 0.020 1 345 613 38 LYS HA H 5.241 0.010 1 346 613 38 LYS HB2 H 1.858 0.010 2 347 613 38 LYS HB3 H 1.659 0.010 2 348 613 38 LYS HD2 H 1.680 0.010 2 349 613 38 LYS HE2 H 3.017 0.020 2 350 613 38 LYS HE3 H 2.866 0.020 2 351 613 38 LYS HG2 H 0.976 0.010 2 352 613 38 LYS HG3 H 0.908 0.010 2 353 613 38 LYS C C 175.766 0.200 1 354 613 38 LYS CA C 55.422 0.200 1 355 613 38 LYS CB C 34.756 0.200 1 356 613 38 LYS CD C 29.876 0.200 1 357 613 38 LYS CE C 42.191 0.200 1 358 613 38 LYS CG C 25.252 0.200 1 359 613 38 LYS N N 124.475 0.200 1 360 614 39 VAL H H 9.351 0.020 1 361 614 39 VAL HA H 4.536 0.020 1 362 614 39 VAL HB H 2.300 0.020 1 363 614 39 VAL HG1 H 1.260 0.020 2 364 614 39 VAL HG2 H 0.948 0.020 2 365 614 39 VAL C C 175.240 0.200 1 366 614 39 VAL CA C 61.754 0.200 1 367 614 39 VAL CB C 35.093 0.200 1 368 614 39 VAL CG1 C 21.807 0.200 1 369 614 39 VAL CG2 C 21.757 0.200 1 370 614 39 VAL N N 127.808 0.200 1 371 615 40 GLU H H 9.048 0.020 1 372 615 40 GLU HA H 5.142 0.020 1 373 615 40 GLU HB2 H 2.097 0.020 2 374 615 40 GLU HB3 H 2.076 0.020 2 375 615 40 GLU HG2 H 2.328 0.020 2 376 615 40 GLU HG3 H 2.243 0.020 2 377 615 40 GLU C C 176.546 0.200 1 378 615 40 GLU CA C 56.392 0.200 1 379 615 40 GLU CB C 33.145 0.200 1 380 615 40 GLU CG C 37.725 0.200 1 381 615 40 GLU N N 126.794 0.200 1 382 616 41 THR H H 8.988 0.020 1 383 616 41 THR HA H 5.063 0.020 1 384 616 41 THR HB H 4.896 0.020 1 385 616 41 THR HG2 H 1.433 0.020 1 386 616 41 THR C C 174.340 0.200 1 387 616 41 THR CA C 60.069 0.200 1 388 616 41 THR CB C 72.235 0.200 1 389 616 41 THR CG2 C 22.477 0.200 1 390 616 41 THR N N 115.810 0.200 1 391 617 42 ASP H H 8.775 0.020 1 392 617 42 ASP HA H 4.360 0.009 1 393 617 42 ASP HB2 H 2.799 0.009 2 394 617 42 ASP HB3 H 2.780 0.010 2 395 617 42 ASP C C 177.971 0.200 1 396 617 42 ASP CA C 58.000 0.200 1 397 617 42 ASP CB C 40.946 0.200 1 398 617 42 ASP N N 118.253 0.200 1 399 618 43 LYS H H 7.924 0.020 1 400 618 43 LYS HA H 4.274 0.020 1 401 618 43 LYS HB2 H 1.185 0.020 2 402 618 43 LYS HB3 H 0.976 0.020 2 403 618 43 LYS HD2 H 1.614 0.020 2 404 618 43 LYS HE2 H 3.031 0.020 2 405 618 43 LYS HE3 H 3.031 0.020 2 406 618 43 LYS HG2 H 1.336 0.020 2 407 618 43 LYS C C 177.147 0.200 1 408 618 43 LYS CA C 57.208 0.200 1 409 618 43 LYS CB C 35.657 0.200 1 410 618 43 LYS CD C 29.362 0.200 1 411 618 43 LYS CE C 42.672 0.200 1 412 618 43 LYS CG C 25.457 0.200 1 413 618 43 LYS N N 114.247 0.200 1 414 619 44 TYR H H 7.522 0.020 1 415 619 44 TYR HA H 5.549 0.020 1 416 619 44 TYR HB2 H 2.231 0.020 2 417 619 44 TYR HB3 H 2.115 0.020 2 418 619 44 TYR HD1 H 7.010 0.020 1 419 619 44 TYR HD2 H 7.010 0.020 1 420 619 44 TYR HE1 H 6.889 0.020 1 421 619 44 TYR HE2 H 6.889 0.020 1 422 619 44 TYR C C 174.559 0.200 1 423 619 44 TYR CA C 56.767 0.200 1 424 619 44 TYR CB C 43.647 0.200 1 425 619 44 TYR CD1 C 134.118 0.200 1 426 619 44 TYR CE1 C 119.105 0.200 1 427 619 44 TYR N N 115.682 0.200 1 428 620 45 GLU H H 9.125 0.020 1 429 620 45 GLU HA H 4.869 0.020 1 430 620 45 GLU HB2 H 2.000 0.020 2 431 620 45 GLU HB3 H 1.751 0.020 2 432 620 45 GLU HG2 H 2.260 0.020 2 433 620 45 GLU HG3 H 2.155 0.020 2 434 620 45 GLU C C 175.406 0.200 1 435 620 45 GLU CA C 55.269 0.200 1 436 620 45 GLU CB C 33.012 0.200 1 437 620 45 GLU CG C 36.691 0.200 1 438 620 45 GLU N N 118.807 0.200 1 439 621 46 PHE H H 9.464 0.020 1 440 621 46 PHE HA H 5.549 0.020 1 441 621 46 PHE HB2 H 3.148 0.020 2 442 621 46 PHE HB3 H 2.799 0.020 2 443 621 46 PHE HD1 H 7.040 0.020 1 444 621 46 PHE HD2 H 7.040 0.020 1 445 621 46 PHE HE1 H 6.836 0.020 1 446 621 46 PHE HE2 H 6.836 0.020 1 447 621 46 PHE HZ H 6.294 0.020 1 448 621 46 PHE C C 174.550 0.200 1 449 621 46 PHE CA C 57.101 0.200 1 450 621 46 PHE CB C 41.959 0.200 1 451 621 46 PHE CD1 C 131.530 0.200 1 452 621 46 PHE CE1 C 131.530 0.200 1 453 621 46 PHE CZ C 129.459 0.200 1 454 621 46 PHE N N 121.900 0.200 1 455 622 47 HIS H H 9.225 0.020 1 456 622 47 HIS HA H 5.547 0.020 1 457 622 47 HIS HB2 H 2.902 0.020 2 458 622 47 HIS HB3 H 2.742 0.020 2 459 622 47 HIS HD1 H 6.671 0.020 1 460 622 47 HIS HD2 H 6.671 0.020 1 461 622 47 HIS HE1 H 7.672 0.003 1 462 622 47 HIS C C 175.442 0.200 1 463 622 47 HIS CA C 54.810 0.200 1 464 622 47 HIS CB C 34.102 0.200 1 465 622 47 HIS CD2 C 118.329 0.200 1 466 622 47 HIS CE1 C 138.260 0.200 1 467 622 47 HIS N N 122.583 0.200 1 468 623 48 ILE H H 9.327 0.020 1 469 623 48 ILE HA H 5.242 0.020 1 470 623 48 ILE HB H 1.579 0.020 1 471 623 48 ILE HD1 H -0.029 0.020 1 472 623 48 ILE HG12 H 1.381 0.020 2 473 623 48 ILE HG13 H 0.804 0.020 2 474 623 48 ILE HG2 H 0.616 0.020 1 475 623 48 ILE C C 173.624 0.200 1 476 623 48 ILE CA C 59.850 0.200 1 477 623 48 ILE CB C 43.873 0.200 1 478 623 48 ILE CD1 C 13.639 0.200 1 479 623 48 ILE CG1 C 27.924 0.200 1 480 623 48 ILE CG2 C 17.441 0.200 1 481 623 48 ILE N N 121.497 0.200 1 482 624 49 ASN H H 8.715 0.020 1 483 624 49 ASN HA H 5.640 0.020 1 484 624 49 ASN HB2 H 3.453 0.020 2 485 624 49 ASN HB3 H 2.505 0.020 2 486 624 49 ASN HD21 H 7.370 0.020 2 487 624 49 ASN HD22 H 7.189 0.020 2 488 624 49 ASN C C 174.745 0.200 1 489 624 49 ASN CA C 50.204 0.200 1 490 624 49 ASN CB C 41.635 0.200 1 491 624 49 ASN N N 120.895 0.200 1 492 624 49 ASN ND2 N 110.136 0.200 1 493 625 50 VAL H H 8.567 0.020 1 494 625 50 VAL HA H 3.847 0.020 1 495 625 50 VAL HB H 1.551 0.010 1 496 625 50 VAL HG1 H 0.624 0.020 2 497 625 50 VAL HG2 H 0.617 0.020 2 498 625 50 VAL C C 174.506 0.200 1 499 625 50 VAL CA C 63.226 0.200 1 500 625 50 VAL CB C 34.163 0.200 1 501 625 50 VAL CG1 C 24.072 0.200 1 502 625 50 VAL CG2 C 21.483 0.200 1 503 625 50 VAL N N 122.563 0.200 1 504 626 51 CYS H H 8.017 0.373 1 505 626 51 CYS HA H 4.578 0.010 1 506 626 51 CYS HB2 H 4.100 0.020 2 507 626 51 CYS HB3 H 3.098 0.008 2 508 626 51 CYS C C 172.178 0.200 1 509 626 51 CYS CA C 56.582 0.200 1 510 626 51 CYS CB C 42.515 0.200 1 511 626 51 CYS N N 118.358 0.148 1 512 627 52 GLY H H 7.283 0.020 1 513 627 52 GLY HA2 H 4.113 0.020 2 514 627 52 GLY HA3 H 3.730 0.008 2 515 627 52 GLY CA C 45.103 0.200 1 516 627 52 GLY N N 104.168 0.200 1 517 628 53 PRO HA H 4.851 0.020 1 518 628 53 PRO HB2 H 2.150 0.020 2 519 628 53 PRO HB3 H 1.970 0.020 2 520 628 53 PRO HD2 H 3.503 0.020 2 521 628 53 PRO HD3 H 3.419 0.020 2 522 628 53 PRO HG2 H 2.028 0.009 2 523 628 53 PRO HG3 H 1.886 0.010 2 524 628 53 PRO C C 179.024 0.200 1 525 628 53 PRO CA C 62.445 0.200 1 526 628 53 PRO CB C 33.370 0.200 1 527 628 53 PRO CD C 49.309 0.200 1 528 628 53 PRO CG C 26.660 0.200 1 529 629 54 VAL H H 8.823 0.020 1 530 629 54 VAL HA H 4.509 0.010 1 531 629 54 VAL HB H 2.082 0.009 1 532 629 54 VAL HG1 H 0.856 0.007 2 533 629 54 VAL HG2 H 0.877 0.007 2 534 629 54 VAL C C 176.095 0.200 1 535 629 54 VAL CA C 61.090 0.200 1 536 629 54 VAL CB C 33.687 0.200 1 537 629 54 VAL CG1 C 19.188 0.200 1 538 629 54 VAL CG2 C 23.093 0.200 1 539 629 54 VAL N N 115.038 0.200 1 540 630 55 SER H H 8.564 0.020 1 541 630 55 SER HA H 4.683 0.008 1 542 630 55 SER HB2 H 3.970 0.009 2 543 630 55 SER HB3 H 3.824 0.010 2 544 630 55 SER C C 173.845 0.200 1 545 630 55 SER CA C 57.030 0.200 1 546 630 55 SER CB C 63.394 0.242 1 547 630 55 SER N N 118.366 0.200 1 548 631 56 VAL H H 7.732 0.020 1 549 631 56 VAL HA H 4.150 0.009 1 550 631 56 VAL HB H 1.580 0.020 1 551 631 56 VAL HG1 H 0.427 0.020 2 552 631 56 VAL HG2 H 0.528 0.007 2 553 631 56 VAL CA C 61.218 0.200 1 554 631 56 VAL CB C 35.506 0.200 1 555 631 56 VAL CG1 C 20.836 0.200 1 556 631 56 VAL CG2 C 21.038 0.200 1 557 631 56 VAL N N 121.712 0.200 1 558 632 57 GLY H H 8.596 0.020 1 559 632 57 GLY HA2 H 3.789 0.006 2 560 632 57 GLY HA3 H 3.789 0.006 2 561 632 57 GLY C C 174.542 0.200 1 562 632 57 GLY CA C 47.583 0.200 1 563 632 57 GLY N N 114.247 0.200 1 564 633 58 ALA H H 7.533 0.020 1 565 633 58 ALA HA H 4.274 0.020 1 566 633 58 ALA HB H 1.304 0.020 1 567 633 58 ALA C C 177.912 0.200 1 568 633 58 ALA CA C 52.545 0.200 1 569 633 58 ALA CB C 20.012 0.200 1 570 633 58 ALA N N 121.101 0.200 1 571 634 59 CYS H H 7.821 0.020 1 572 634 59 CYS HA H 4.294 0.020 1 573 634 59 CYS HB2 H 3.013 0.009 2 574 634 59 CYS CA C 55.457 0.200 1 575 634 59 CYS CB C 43.796 0.200 1 576 634 59 CYS N N 116.533 0.200 1 577 635 60 PRO HA H 4.750 0.020 1 578 635 60 PRO HB2 H 2.582 0.010 2 579 635 60 PRO HB3 H 1.943 0.009 2 580 635 60 PRO HD2 H 3.950 0.020 2 581 635 60 PRO HD3 H 3.396 0.020 2 582 635 60 PRO HG2 H 2.118 0.010 2 583 635 60 PRO HG3 H 2.047 0.010 2 584 635 60 PRO CA C 61.928 0.200 1 585 635 60 PRO CB C 31.514 0.200 1 586 635 60 PRO CD C 50.604 0.200 1 587 635 60 PRO CG C 28.602 0.200 1 588 636 61 PRO HA H 4.529 0.010 1 589 636 61 PRO HB2 H 2.369 0.010 2 590 636 61 PRO HB3 H 2.005 0.010 2 591 636 61 PRO HD2 H 3.819 0.010 2 592 636 61 PRO HD3 H 3.730 0.010 2 593 636 61 PRO HG2 H 2.065 0.010 2 594 636 61 PRO C C 176.216 0.200 1 595 636 61 PRO CA C 64.323 0.200 1 596 636 61 PRO CB C 32.392 0.200 1 597 636 61 PRO CD C 51.251 0.200 1 598 636 61 PRO CG C 27.512 0.200 1 599 637 62 ASP H H 8.293 0.020 1 600 637 62 ASP HA H 4.474 0.010 1 601 637 62 ASP HB2 H 2.884 0.020 2 602 637 62 ASP HB3 H 2.744 0.009 2 603 637 62 ASP C C 175.961 0.200 1 604 637 62 ASP CA C 53.711 0.200 1 605 637 62 ASP CB C 40.383 0.200 1 606 637 62 ASP N N 115.531 0.200 1 607 638 63 SER H H 7.938 0.020 1 608 638 63 SER HA H 4.518 0.015 1 609 638 63 SER HB2 H 3.752 0.020 2 610 638 63 SER C C 174.940 0.200 1 611 638 63 SER CA C 58.869 0.200 1 612 638 63 SER CB C 65.482 0.200 1 613 638 63 SER N N 116.272 0.200 1 614 639 64 GLY H H 9.488 0.020 1 615 639 64 GLY HA2 H 4.200 0.020 2 616 639 64 GLY HA3 H 2.511 0.020 2 617 639 64 GLY C C 171.541 0.200 1 618 639 64 GLY CA C 46.076 0.200 1 619 639 64 GLY N N 114.692 0.200 1 620 640 65 ALA H H 7.529 0.020 1 621 640 65 ALA HA H 5.391 0.020 1 622 640 65 ALA HB H 1.481 0.020 1 623 640 65 ALA C C 174.630 0.200 1 624 640 65 ALA CA C 51.566 0.200 1 625 640 65 ALA CB C 23.388 0.200 1 626 640 65 ALA N N 118.107 0.200 1 627 641 66 CYS H H 9.495 0.020 1 628 641 66 CYS HA H 5.338 0.020 1 629 641 66 CYS HB2 H 3.397 0.020 2 630 641 66 CYS HB3 H 3.003 0.020 2 631 641 66 CYS C C 171.630 0.200 1 632 641 66 CYS CA C 54.272 0.200 1 633 641 66 CYS CB C 46.721 0.200 1 634 641 66 CYS N N 122.908 0.200 1 635 642 67 GLN H H 8.989 0.020 1 636 642 67 GLN HA H 4.990 0.015 1 637 642 67 GLN HB2 H 1.663 0.020 2 638 642 67 GLN HB3 H 0.999 0.020 2 639 642 67 GLN HE21 H 6.449 0.020 2 640 642 67 GLN HG2 H 2.551 0.020 2 641 642 67 GLN C C 173.447 0.200 1 642 642 67 GLN CA C 54.197 0.200 1 643 642 67 GLN CB C 33.771 0.045 1 644 642 67 GLN CG C 34.102 0.200 1 645 642 67 GLN N N 130.692 0.200 1 646 642 67 GLN NE2 N 106.110 0.200 1 647 643 68 VAL H H 9.340 0.020 1 648 643 68 VAL HA H 4.966 0.013 1 649 643 68 VAL HB H 2.130 0.020 1 650 643 68 VAL HG1 H 0.876 0.020 2 651 643 68 VAL HG2 H 0.842 0.020 2 652 643 68 VAL C C 177.242 0.200 1 653 643 68 VAL CA C 61.090 0.200 1 654 643 68 VAL CB C 35.881 0.200 1 655 643 68 VAL CG1 C 21.807 0.200 1 656 643 68 VAL CG2 C 20.836 0.200 1 657 643 68 VAL N N 126.805 0.200 1 658 644 69 SER H H 9.455 0.020 1 659 644 69 SER HA H 4.901 0.010 1 660 644 69 SER HB2 H 4.413 0.020 2 661 644 69 SER C C 176.465 0.200 1 662 644 69 SER CA C 58.369 0.200 1 663 644 69 SER CB C 64.193 0.200 1 664 644 69 SER N N 121.400 0.200 1 665 645 70 ARG H H 8.308 0.020 1 666 645 70 ARG HA H 4.125 0.020 1 667 645 70 ARG HB2 H 2.067 0.015 2 668 645 70 ARG HB3 H 1.494 0.015 2 669 645 70 ARG HD2 H 3.231 0.020 2 670 645 70 ARG HD3 H 3.040 0.009 2 671 645 70 ARG HG2 H 1.635 0.015 2 672 645 70 ARG HG3 H 1.527 0.020 2 673 645 70 ARG C C 177.560 0.200 1 674 645 70 ARG CA C 59.380 0.200 1 675 645 70 ARG CB C 30.986 0.200 1 676 645 70 ARG CD C 43.955 0.200 1 677 645 70 ARG CG C 28.925 0.200 1 678 645 70 ARG N N 126.994 0.200 1 679 646 71 SER H H 8.364 0.020 1 680 646 71 SER HA H 4.386 0.020 1 681 646 71 SER HB2 H 3.926 0.020 2 682 646 71 SER HB3 H 3.876 0.020 2 683 646 71 SER C C 175.901 0.200 1 684 646 71 SER CA C 59.987 0.200 1 685 646 71 SER CB C 63.608 0.032 1 686 646 71 SER N N 112.722 0.200 1 687 647 72 ASP H H 7.684 0.005 1 688 647 72 ASP HA H 4.749 0.020 1 689 647 72 ASP HB2 H 2.961 0.020 2 690 647 72 ASP HB3 H 2.612 0.020 2 691 647 72 ASP C C 176.351 0.200 1 692 647 72 ASP CA C 53.633 0.200 1 693 647 72 ASP CB C 42.184 0.200 1 694 647 72 ASP N N 118.021 0.200 1 695 648 73 ARG H H 7.868 0.020 1 696 648 73 ARG HA H 4.115 0.020 1 697 648 73 ARG HB2 H 1.655 0.020 2 698 648 73 ARG HB3 H 1.556 0.020 2 699 648 73 ARG HD2 H 3.192 0.020 2 700 648 73 ARG HG2 H 2.026 0.020 2 701 648 73 ARG HG3 H 1.999 0.010 2 702 648 73 ARG C C 175.826 0.200 1 703 648 73 ARG CA C 57.061 0.200 1 704 648 73 ARG CB C 26.984 0.200 1 705 648 73 ARG CD C 43.031 0.200 1 706 648 73 ARG CG C 26.484 0.200 1 707 648 73 ARG N N 114.194 0.200 1 708 649 74 LYS H H 7.610 0.020 1 709 649 74 LYS HA H 4.030 0.015 1 710 649 74 LYS HB2 H 1.536 0.020 2 711 649 74 LYS HB3 H 1.213 0.015 2 712 649 74 LYS HD2 H 1.717 0.015 2 713 649 74 LYS HE2 H 3.024 0.020 2 714 649 74 LYS HE3 H 2.936 0.020 2 715 649 74 LYS HG2 H 1.185 0.020 2 716 649 74 LYS HG3 H 1.016 0.015 2 717 649 74 LYS C C 174.418 0.200 1 718 649 74 LYS CA C 57.191 0.200 1 719 649 74 LYS CB C 33.968 0.200 1 720 649 74 LYS CD C 29.362 0.200 1 721 649 74 LYS CE C 42.799 0.200 1 722 649 74 LYS CG C 25.663 0.200 1 723 649 74 LYS N N 120.902 0.200 1 724 650 75 SER H H 7.443 0.020 1 725 650 75 SER HA H 5.643 0.020 1 726 650 75 SER HB2 H 3.729 0.020 2 727 650 75 SER HB3 H 3.651 0.020 2 728 650 75 SER C C 173.324 0.200 1 729 650 75 SER CA C 56.162 0.200 1 730 650 75 SER CB C 68.425 0.200 1 731 650 75 SER N N 113.178 0.200 1 732 651 76 TRP H H 9.176 0.020 1 733 651 76 TRP HA H 4.571 0.020 1 734 651 76 TRP HB2 H 3.140 0.020 2 735 651 76 TRP HB3 H 2.570 0.020 2 736 651 76 TRP HD1 H 6.863 0.020 1 737 651 76 TRP HE1 H 9.806 0.020 1 738 651 76 TRP HE3 H 7.339 0.020 1 739 651 76 TRP HH2 H 7.318 0.020 1 740 651 76 TRP HZ2 H 7.465 0.020 1 741 651 76 TRP HZ3 H 6.724 0.020 1 742 651 76 TRP C C 174.312 0.200 1 743 651 76 TRP CA C 59.340 0.200 1 744 651 76 TRP CB C 33.405 0.200 1 745 651 76 TRP CD1 C 125.318 0.200 1 746 651 76 TRP CE3 C 122.729 0.200 1 747 651 76 TRP CH2 C 124.282 0.200 1 748 651 76 TRP CZ2 C 114.446 0.200 1 749 651 76 TRP CZ3 C 120.400 0.200 1 750 651 76 TRP N N 118.924 0.200 1 751 651 76 TRP NE1 N 127.489 0.200 1 752 652 77 ASN H H 8.660 0.020 1 753 652 77 ASN HA H 4.903 0.020 1 754 652 77 ASN HB2 H 3.502 0.020 2 755 652 77 ASN HB3 H 2.589 0.020 2 756 652 77 ASN HD21 H 7.643 0.020 2 757 652 77 ASN HD22 H 6.287 0.020 2 758 652 77 ASN C C 175.766 0.200 1 759 652 77 ASN CA C 53.226 0.200 1 760 652 77 ASN CB C 39.069 0.123 1 761 652 77 ASN N N 121.829 0.200 1 762 652 77 ASN ND2 N 109.514 0.200 1 763 653 78 LEU H H 9.044 0.001 1 764 653 78 LEU HA H 4.155 0.020 1 765 653 78 LEU HB2 H 1.618 0.010 2 766 653 78 LEU HB3 H 1.429 0.020 2 767 653 78 LEU HD1 H 0.071 0.020 2 768 653 78 LEU HD2 H 0.542 0.020 2 769 653 78 LEU HG H 1.267 0.020 1 770 653 78 LEU C C 175.777 0.200 1 771 653 78 LEU CA C 54.486 0.200 1 772 653 78 LEU CB C 40.573 0.200 1 773 653 78 LEU CD1 C 21.807 0.200 1 774 653 78 LEU CD2 C 25.042 0.200 1 775 653 78 LEU CG C 27.307 0.200 1 776 653 78 LEU N N 127.448 0.200 1 777 654 79 GLY H H 7.957 0.020 1 778 654 79 GLY HA2 H 4.335 0.020 2 779 654 79 GLY HA3 H 3.064 0.020 2 780 654 79 GLY C C 172.989 0.200 1 781 654 79 GLY CA C 44.952 0.200 1 782 654 79 GLY N N 106.009 0.200 1 783 655 80 ARG H H 8.980 0.020 1 784 655 80 ARG HA H 4.538 0.020 1 785 655 80 ARG HB2 H 1.941 0.020 2 786 655 80 ARG HB3 H 1.860 0.020 2 787 655 80 ARG HD2 H 3.367 0.009 2 788 655 80 ARG C C 177.365 0.200 1 789 655 80 ARG CA C 56.698 0.200 1 790 655 80 ARG CB C 31.210 0.200 1 791 655 80 ARG CD C 44.572 0.200 1 792 655 80 ARG N N 125.941 0.200 1 793 656 81 SER H H 8.106 0.020 1 794 656 81 SER HA H 2.861 0.020 1 795 656 81 SER HB2 H 3.152 0.020 2 796 656 81 SER HB3 H 3.082 0.020 2 797 656 81 SER C C 173.379 0.200 1 798 656 81 SER CA C 60.018 0.200 1 799 656 81 SER CB C 64.116 0.200 1 800 656 81 SER N N 118.358 0.200 1 801 657 82 ASN H H 7.285 0.020 1 802 657 82 ASN HA H 4.692 0.020 1 803 657 82 ASN HB2 H 3.147 0.020 2 804 657 82 ASN HB3 H 2.995 0.020 2 805 657 82 ASN HD21 H 7.579 0.020 2 806 657 82 ASN HD22 H 6.733 0.020 2 807 657 82 ASN C C 171.938 0.200 1 808 657 82 ASN CA C 53.787 0.200 1 809 657 82 ASN CB C 41.509 0.200 1 810 657 82 ASN N N 115.702 0.200 1 811 657 82 ASN ND2 N 113.211 0.200 1 812 658 83 ALA H H 8.869 0.020 1 813 658 83 ALA HA H 5.083 0.020 1 814 658 83 ALA HB H 1.535 0.006 1 815 658 83 ALA C C 177.162 0.200 1 816 658 83 ALA CA C 50.774 0.200 1 817 658 83 ALA CB C 20.189 0.200 1 818 658 83 ALA N N 121.540 0.200 1 819 659 84 LYS H H 8.367 0.020 1 820 659 84 LYS HA H 4.789 0.020 1 821 659 84 LYS HB2 H 1.936 0.020 2 822 659 84 LYS HB3 H 1.863 0.015 2 823 659 84 LYS HD2 H 1.625 0.020 2 824 659 84 LYS HD3 H 1.559 0.010 2 825 659 84 LYS HE2 H 3.118 0.020 2 826 659 84 LYS HE3 H 3.118 0.020 2 827 659 84 LYS HG2 H 1.684 0.020 2 828 659 84 LYS C C 175.841 0.200 1 829 659 84 LYS CA C 56.034 0.200 1 830 659 84 LYS CB C 31.779 0.200 1 831 659 84 LYS CD C 25.042 0.200 1 832 659 84 LYS CE C 42.838 0.200 1 833 659 84 LYS N N 122.117 0.200 1 834 660 85 LEU H H 7.739 0.020 1 835 660 85 LEU HA H 4.781 0.009 1 836 660 85 LEU HB2 H 1.434 0.020 2 837 660 85 LEU HB3 H 1.215 0.010 2 838 660 85 LEU HD1 H 0.641 0.020 2 839 660 85 LEU HD2 H 0.528 0.009 2 840 660 85 LEU HG H 1.444 0.020 1 841 660 85 LEU C C 176.359 0.200 1 842 660 85 LEU CA C 54.451 0.200 1 843 660 85 LEU CB C 44.604 0.200 1 844 660 85 LEU CD1 C 24.072 0.200 1 845 660 85 LEU CD2 C 26.074 0.200 1 846 660 85 LEU CG C 27.661 0.200 1 847 660 85 LEU N N 125.272 0.200 1 848 661 86 SER H H 8.775 0.020 1 849 661 86 SER HA H 5.404 0.009 1 850 661 86 SER HB2 H 3.852 0.006 2 851 661 86 SER C C 173.184 0.200 1 852 661 86 SER CA C 57.516 0.200 1 853 661 86 SER CB C 66.551 0.200 1 854 661 86 SER N N 115.433 0.200 1 855 662 87 TYR H H 9.119 0.020 1 856 662 87 TYR HA H 5.435 0.020 1 857 662 87 TYR HB2 H 2.905 0.020 2 858 662 87 TYR HB3 H 2.675 0.020 2 859 662 87 TYR HD1 H 6.808 0.020 1 860 662 87 TYR HD2 H 6.808 0.020 1 861 662 87 TYR HE1 H 6.596 0.020 1 862 662 87 TYR HE2 H 6.596 0.020 1 863 662 87 TYR C C 174.595 0.200 1 864 662 87 TYR CA C 56.826 0.200 1 865 662 87 TYR CB C 42.515 0.200 1 866 662 87 TYR CD1 C 133.859 0.200 1 867 662 87 TYR CE1 C 118.329 0.200 1 868 662 87 TYR N N 124.724 0.200 1 869 663 88 TYR H H 8.251 0.020 1 870 663 88 TYR HA H 4.465 0.020 1 871 663 88 TYR HB2 H 2.901 0.020 2 872 663 88 TYR HB3 H 2.821 0.020 2 873 663 88 TYR HD1 H 6.952 0.001 1 874 663 88 TYR HD2 H 6.952 0.001 1 875 663 88 TYR HE1 H 6.692 0.028 1 876 663 88 TYR HE2 H 6.692 0.028 1 877 663 88 TYR C C 174.277 0.200 1 878 663 88 TYR CA C 58.046 0.200 1 879 663 88 TYR CB C 40.573 0.200 1 880 663 88 TYR CD1 C 133.342 0.200 1 881 663 88 TYR CE1 C 119.105 0.200 1 882 663 88 TYR N N 126.775 0.200 1 883 664 89 ASP H H 8.636 0.020 1 884 664 89 ASP HA H 4.439 0.010 1 885 664 89 ASP HB2 H 1.648 0.010 2 886 664 89 ASP HB3 H 1.582 0.010 2 887 664 89 ASP C C 175.364 0.200 1 888 664 89 ASP CA C 55.197 0.200 1 889 664 89 ASP CB C 40.600 0.200 1 890 664 89 ASP N N 124.267 0.200 1 891 665 90 GLY H H 6.772 0.020 1 892 665 90 GLY HA2 H 4.199 0.020 2 893 665 90 GLY HA3 H 3.681 0.020 2 894 665 90 GLY C C 173.770 0.200 1 895 665 90 GLY CA C 45.796 0.200 1 896 665 90 GLY N N 101.144 0.200 1 897 666 91 MET H H 7.752 0.020 1 898 666 91 MET HA H 4.818 0.010 1 899 666 91 MET HB2 H 2.070 0.010 2 900 666 91 MET HB3 H 1.750 0.009 2 901 666 91 MET HG2 H 2.357 0.009 2 902 666 91 MET C C 173.871 0.200 1 903 666 91 MET CA C 54.630 0.200 1 904 666 91 MET CB C 35.938 0.200 1 905 666 91 MET CG C 31.837 0.200 1 906 666 91 MET N N 120.230 0.200 1 907 667 92 ILE H H 8.104 0.020 1 908 667 92 ILE HA H 5.209 0.020 1 909 667 92 ILE HB H 1.655 0.020 1 910 667 92 ILE HD1 H 0.048 0.020 1 911 667 92 ILE HG12 H 1.347 0.020 2 912 667 92 ILE HG13 H 0.588 0.020 2 913 667 92 ILE HG2 H 0.789 0.020 1 914 667 92 ILE C C 175.676 0.200 1 915 667 92 ILE CA C 59.839 0.200 1 916 667 92 ILE CB C 40.655 0.200 1 917 667 92 ILE CD1 C 13.742 0.200 1 918 667 92 ILE CG1 C 29.197 0.200 1 919 667 92 ILE CG2 C 20.113 0.200 1 920 667 92 ILE N N 121.431 0.200 1 921 668 93 GLN H H 9.245 0.020 1 922 668 93 GLN HA H 5.839 0.020 1 923 668 93 GLN HB2 H 1.899 0.020 2 924 668 93 GLN HB3 H 1.899 0.020 2 925 668 93 GLN HE21 H 7.294 0.020 2 926 668 93 GLN HE22 H 6.818 0.020 2 927 668 93 GLN HG2 H 2.451 0.020 2 928 668 93 GLN HG3 H 2.198 0.020 2 929 668 93 GLN C C 175.142 0.200 1 930 668 93 GLN CA C 54.706 0.200 1 931 668 93 GLN CB C 34.137 0.200 1 932 668 93 GLN CG C 35.396 0.200 1 933 668 93 GLN N N 124.343 0.200 1 934 668 93 GLN NE2 N 112.648 0.200 1 935 669 94 LEU H H 8.635 0.020 1 936 669 94 LEU HA H 4.742 0.020 1 937 669 94 LEU HB2 H 1.569 0.020 2 938 669 94 LEU HB3 H 1.402 0.020 2 939 669 94 LEU HD1 H 1.055 0.020 2 940 669 94 LEU HD2 H 1.040 0.020 2 941 669 94 LEU HG H 1.301 0.020 1 942 669 94 LEU C C 174.445 0.200 1 943 669 94 LEU CA C 54.425 0.200 1 944 669 94 LEU CB C 48.487 0.200 1 945 669 94 LEU CD1 C 24.395 0.200 1 946 669 94 LEU CD2 C 26.999 0.200 1 947 669 94 LEU CG C 27.631 0.200 1 948 669 94 LEU N N 124.700 0.200 1 949 670 95 THR H H 9.174 0.020 1 950 670 95 THR HA H 5.444 0.020 1 951 670 95 THR HB H 4.012 0.020 1 952 670 95 THR HG2 H 1.152 0.020 1 953 670 95 THR C C 174.312 0.200 1 954 670 95 THR CA C 60.784 0.200 1 955 670 95 THR CB C 71.391 0.200 1 956 670 95 THR CG2 C 20.935 0.200 1 957 670 95 THR N N 119.899 0.200 1 958 671 96 TYR H H 9.335 0.020 1 959 671 96 TYR HA H 5.240 0.020 1 960 671 96 TYR HB2 H 3.041 0.020 2 961 671 96 TYR HB3 H 2.879 0.020 2 962 671 96 TYR HD1 H 6.933 0.020 1 963 671 96 TYR HD2 H 6.933 0.020 1 964 671 96 TYR HE1 H 7.212 0.020 1 965 671 96 TYR HE2 H 7.212 0.020 1 966 671 96 TYR HH H 9.576 0.020 1 967 671 96 TYR C C 175.270 0.200 1 968 671 96 TYR CA C 53.353 0.200 1 969 671 96 TYR CB C 39.314 0.200 1 970 671 96 TYR CD1 C 132.047 0.200 1 971 671 96 TYR CE1 C 117.552 0.200 1 972 671 96 TYR N N 127.824 0.200 1 973 672 97 ARG H H 8.972 0.020 1 974 672 97 ARG HA H 5.162 0.020 1 975 672 97 ARG HB2 H 2.051 0.020 2 976 672 97 ARG HB3 H 1.834 0.020 2 977 672 97 ARG HD2 H 3.298 0.020 2 978 672 97 ARG HG2 H 1.701 0.020 2 979 672 97 ARG C C 176.291 0.200 1 980 672 97 ARG CA C 55.217 0.200 1 981 672 97 ARG CB C 34.362 0.200 1 982 672 97 ARG CD C 43.955 0.200 1 983 672 97 ARG CG C 28.643 0.200 1 984 672 97 ARG N N 121.884 0.200 1 985 673 98 ASP H H 9.286 0.020 1 986 673 98 ASP HA H 4.362 0.020 1 987 673 98 ASP HB2 H 3.086 0.020 2 988 673 98 ASP HB3 H 2.900 0.009 2 989 673 98 ASP C C 176.000 0.200 1 990 673 98 ASP CA C 56.673 0.200 1 991 673 98 ASP CB C 39.539 0.200 1 992 673 98 ASP N N 114.726 0.200 1 993 674 99 GLY H H 8.570 0.020 1 994 674 99 GLY HA2 H 3.988 0.020 2 995 674 99 GLY HA3 H 3.406 0.020 2 996 674 99 GLY C C 173.112 0.200 1 997 674 99 GLY CA C 44.007 0.200 1 998 674 99 GLY N N 104.562 0.200 1 999 675 100 THR H H 9.640 0.020 1 1000 675 100 THR HA H 4.492 0.020 1 1001 675 100 THR HB H 4.132 0.008 1 1002 675 100 THR HG2 H 1.748 0.020 1 1003 675 100 THR CA C 63.223 0.200 1 1004 675 100 THR CB C 71.635 0.200 1 1005 675 100 THR CG2 C 22.454 0.200 1 1006 675 100 THR N N 119.487 0.200 1 1007 676 101 PRO HA H 4.817 0.015 1 1008 676 101 PRO HB2 H 2.250 0.015 2 1009 676 101 PRO HB3 H 1.838 0.020 2 1010 676 101 PRO HD2 H 4.180 0.020 2 1011 676 101 PRO HD3 H 3.871 0.015 2 1012 676 101 PRO HG2 H 2.213 0.020 2 1013 676 101 PRO HG3 H 2.023 0.015 2 1014 676 101 PRO C C 178.424 0.200 1 1015 676 101 PRO CA C 63.663 0.200 1 1016 676 101 PRO CB C 32.689 0.177 1 1017 676 101 PRO CD C 52.221 0.200 1 1018 676 101 PRO CG C 28.278 0.200 1 1019 677 102 TYR H H 8.839 0.020 1 1020 677 102 TYR HA H 4.391 0.020 1 1021 677 102 TYR HB2 H 2.894 0.020 2 1022 677 102 TYR HB3 H 2.819 0.020 2 1023 677 102 TYR HD1 H 7.393 0.001 1 1024 677 102 TYR HD2 H 7.393 0.001 1 1025 677 102 TYR HE1 H 6.674 0.001 1 1026 677 102 TYR HE2 H 6.674 0.001 1 1027 677 102 TYR C C 176.836 0.200 1 1028 677 102 TYR CA C 60.310 0.200 1 1029 677 102 TYR CB C 41.220 0.200 1 1030 677 102 TYR CD1 C 133.342 0.200 1 1031 677 102 TYR CE1 C 118.329 0.200 1 1032 677 102 TYR N N 122.625 0.200 1 1033 678 103 ASN H H 9.717 0.020 1 1034 678 103 ASN HA H 5.102 0.020 1 1035 678 103 ASN HB2 H 3.216 0.020 2 1036 678 103 ASN HB3 H 3.060 0.020 2 1037 678 103 ASN HD21 H 8.063 0.020 2 1038 678 103 ASN HD22 H 6.992 0.020 2 1039 678 103 ASN C C 176.271 0.200 1 1040 678 103 ASN CA C 53.225 0.200 1 1041 678 103 ASN CB C 37.795 0.200 1 1042 678 103 ASN N N 119.899 0.200 1 1043 678 103 ASN ND2 N 114.993 0.200 1 1044 679 104 ASN H H 7.866 0.020 1 1045 679 104 ASN HA H 4.851 0.016 1 1046 679 104 ASN HB2 H 3.351 0.020 2 1047 679 104 ASN HB3 H 3.038 0.015 2 1048 679 104 ASN HD21 H 7.334 0.020 2 1049 679 104 ASN HD22 H 6.912 0.020 2 1050 679 104 ASN C C 176.659 0.200 1 1051 679 104 ASN CA C 52.357 0.200 1 1052 679 104 ASN CB C 39.296 0.200 1 1053 679 104 ASN N N 117.836 0.200 1 1054 679 104 ASN ND2 N 110.494 0.200 1 1055 680 105 GLU H H 8.969 0.020 1 1056 680 105 GLU HA H 4.090 0.020 1 1057 680 105 GLU HB2 H 2.148 0.020 2 1058 680 105 GLU HB3 H 2.107 0.013 2 1059 680 105 GLU HG2 H 2.404 0.020 2 1060 680 105 GLU HG3 H 2.343 0.020 2 1061 680 105 GLU C C 178.230 0.200 1 1062 680 105 GLU CA C 60.310 0.200 1 1063 680 105 GLU CB C 29.918 0.034 1 1064 680 105 GLU CG C 36.864 0.200 1 1065 680 105 GLU N N 121.441 0.200 1 1066 681 106 LYS H H 7.562 0.020 1 1067 681 106 LYS HA H 4.283 0.020 1 1068 681 106 LYS HB2 H 1.993 0.016 2 1069 681 106 LYS HB3 H 1.654 0.020 2 1070 681 106 LYS HD2 H 1.694 0.016 2 1071 681 106 LYS HD3 H 1.694 0.016 2 1072 681 106 LYS HE2 H 3.026 0.020 2 1073 681 106 LYS HG2 H 1.460 0.016 2 1074 681 106 LYS HG3 H 1.445 0.010 2 1075 681 106 LYS C C 175.883 0.200 1 1076 681 106 LYS CA C 56.428 0.200 1 1077 681 106 LYS CB C 33.012 0.200 1 1078 681 106 LYS CD C 29.310 0.200 1 1079 681 106 LYS CE C 42.938 0.200 1 1080 681 106 LYS CG C 26.762 1.040 1 1081 681 106 LYS N N 115.000 0.200 1 1082 682 107 ARG H H 7.981 0.020 1 1083 682 107 ARG HA H 4.406 0.020 1 1084 682 107 ARG HB2 H 2.118 0.020 2 1085 682 107 ARG HB3 H 1.810 0.020 2 1086 682 107 ARG HD2 H 3.410 0.020 2 1087 682 107 ARG HG2 H 1.884 0.020 2 1088 682 107 ARG C C 176.201 0.200 1 1089 682 107 ARG CA C 56.187 0.200 1 1090 682 107 ARG CB C 28.067 0.134 1 1091 682 107 ARG CD C 43.853 0.200 1 1092 682 107 ARG CG C 27.307 0.200 1 1093 682 107 ARG N N 119.751 0.200 1 1094 683 108 THR H H 8.401 0.020 1 1095 683 108 THR HA H 4.405 0.010 1 1096 683 108 THR HB H 4.123 0.009 1 1097 683 108 THR HG2 H 1.467 0.020 1 1098 683 108 THR CA C 61.928 0.200 1 1099 683 108 THR CB C 71.578 0.200 1 1100 683 108 THR CG2 C 22.130 0.200 1 1101 683 108 THR N N 117.330 0.200 1 1102 684 109 PRO HA H 4.229 0.020 1 1103 684 109 PRO HB2 H 2.707 0.015 2 1104 684 109 PRO HB3 H 2.131 0.020 2 1105 684 109 PRO HD2 H 4.410 0.016 2 1106 684 109 PRO HD3 H 3.840 0.015 2 1107 684 109 PRO HG2 H 2.412 0.016 2 1108 684 109 PRO HG3 H 2.130 0.015 2 1109 684 109 PRO C C 177.118 0.200 1 1110 684 109 PRO CA C 63.968 0.200 1 1111 684 109 PRO CB C 33.267 0.200 1 1112 684 109 PRO CD C 51.898 0.200 1 1113 684 109 PRO CG C 28.278 0.200 1 1114 685 110 ARG H H 6.582 0.020 1 1115 685 110 ARG HA H 4.474 0.014 1 1116 685 110 ARG HB2 H 1.842 0.020 2 1117 685 110 ARG HB3 H 1.578 0.020 2 1118 685 110 ARG HD2 H 3.049 0.020 2 1119 685 110 ARG HD3 H 3.049 0.020 2 1120 685 110 ARG HE H 6.443 0.020 1 1121 685 110 ARG HG2 H 1.843 0.020 2 1122 685 110 ARG HG3 H 1.766 0.020 2 1123 685 110 ARG C C 174.171 0.200 1 1124 685 110 ARG CA C 58.000 0.200 1 1125 685 110 ARG CB C 33.124 0.200 1 1126 685 110 ARG CD C 43.809 0.200 1 1127 685 110 ARG N N 122.376 0.200 1 1128 685 110 ARG NE N 115.532 0.200 1 1129 686 111 ALA H H 7.897 0.020 1 1130 686 111 ALA HA H 5.551 0.020 1 1131 686 111 ALA HB H 1.627 0.020 1 1132 686 111 ALA C C 177.507 0.200 1 1133 686 111 ALA CA C 51.464 0.200 1 1134 686 111 ALA CB C 24.007 0.200 1 1135 686 111 ALA N N 120.264 0.200 1 1136 687 112 THR H H 9.513 0.020 1 1137 687 112 THR HA H 5.432 0.020 1 1138 687 112 THR HB H 3.895 0.007 1 1139 687 112 THR HG2 H 1.180 0.020 1 1140 687 112 THR C C 172.479 0.200 1 1141 687 112 THR CA C 63.133 0.200 1 1142 687 112 THR CB C 73.247 0.200 1 1143 687 112 THR CG2 C 21.655 0.200 1 1144 687 112 THR N N 116.311 0.200 1 1145 688 113 LEU H H 9.109 0.020 1 1146 688 113 LEU HA H 5.204 0.020 1 1147 688 113 LEU HB2 H 1.989 0.020 2 1148 688 113 LEU HB3 H 1.193 0.020 2 1149 688 113 LEU HD1 H 0.804 0.020 2 1150 688 113 LEU HD2 H 0.802 0.020 2 1151 688 113 LEU HG H 1.379 0.020 1 1152 688 113 LEU C C 175.565 0.200 1 1153 688 113 LEU CA C 54.170 0.200 1 1154 688 113 LEU CB C 45.392 0.200 1 1155 688 113 LEU CD1 C 26.074 0.200 1 1156 688 113 LEU CD2 C 24.327 0.200 1 1157 688 113 LEU CG C 28.278 0.200 1 1158 688 113 LEU N N 129.405 0.200 1 1159 689 114 ILE H H 9.154 0.020 1 1160 689 114 ILE HA H 4.599 0.020 1 1161 689 114 ILE HB H 1.397 0.020 1 1162 689 114 ILE HD1 H 0.592 0.020 1 1163 689 114 ILE HG12 H 0.502 0.020 2 1164 689 114 ILE HG13 H 1.398 0.020 2 1165 689 114 ILE HG2 H -0.012 0.010 1 1166 689 114 ILE C C 174.842 0.200 1 1167 689 114 ILE CA C 60.834 0.200 1 1168 689 114 ILE CB C 40.125 0.200 1 1169 689 114 ILE CD1 C 14.825 0.200 1 1170 689 114 ILE CG1 C 28.144 0.200 1 1171 689 114 ILE CG2 C 18.894 0.200 1 1172 689 114 ILE N N 127.555 0.200 1 1173 690 115 THR H H 8.120 0.020 1 1174 690 115 THR HA H 4.780 0.020 1 1175 690 115 THR HB H 3.888 0.020 1 1176 690 115 THR HG2 H 1.119 0.020 1 1177 690 115 THR C C 172.764 0.200 1 1178 690 115 THR CA C 62.366 0.200 1 1179 690 115 THR CB C 70.341 0.200 1 1180 690 115 THR CG2 C 22.580 0.200 1 1181 690 115 THR N N 122.535 0.200 1 1182 691 116 PHE H H 9.746 0.020 1 1183 691 116 PHE HA H 5.467 0.020 1 1184 691 116 PHE HB2 H 2.782 0.007 2 1185 691 116 PHE HB3 H 2.470 0.008 2 1186 691 116 PHE HD1 H 6.588 0.020 1 1187 691 116 PHE HD2 H 6.588 0.020 1 1188 691 116 PHE HE1 H 6.091 0.020 1 1189 691 116 PHE HE2 H 6.091 0.020 1 1190 691 116 PHE HZ H 6.469 0.020 1 1191 691 116 PHE C C 174.842 0.200 1 1192 691 116 PHE CA C 56.417 0.200 1 1193 691 116 PHE CB C 40.383 0.200 1 1194 691 116 PHE CD1 C 132.565 0.200 1 1195 691 116 PHE CE1 C 130.494 0.200 1 1196 691 116 PHE CZ C 128.941 0.200 1 1197 691 116 PHE N N 126.802 0.200 1 1198 692 117 LEU H H 8.211 0.020 1 1199 692 117 LEU HA H 4.840 0.015 1 1200 692 117 LEU HB2 H 1.464 0.020 2 1201 692 117 LEU HB3 H 0.991 0.020 2 1202 692 117 LEU HD1 H 0.838 0.020 2 1203 692 117 LEU HD2 H 0.487 0.020 2 1204 692 117 LEU HG H 1.255 0.020 1 1205 692 117 LEU C C 176.351 0.200 1 1206 692 117 LEU CA C 52.945 0.200 1 1207 692 117 LEU CB C 46.573 0.200 1 1208 692 117 LEU CD1 C 25.000 0.200 1 1209 692 117 LEU CD2 C 26.013 0.200 1 1210 692 117 LEU CG C 27.631 0.200 1 1211 692 117 LEU N N 121.465 0.200 1 1212 693 118 CYS H H 9.060 0.020 1 1213 693 118 CYS HA H 4.567 0.020 1 1214 693 118 CYS HB2 H 3.331 0.020 2 1215 693 118 CYS HB3 H 2.853 0.015 2 1216 693 118 CYS C C 175.936 0.200 1 1217 693 118 CYS CA C 57.030 0.200 1 1218 693 118 CYS CB C 39.370 0.200 1 1219 693 118 CYS N N 119.385 0.200 1 1220 694 119 ASP H H 7.119 0.020 1 1221 694 119 ASP HA H 4.392 0.020 1 1222 694 119 ASP HB2 H 2.786 0.020 2 1223 694 119 ASP HB3 H 2.731 0.020 2 1224 694 119 ASP C C 174.153 0.200 1 1225 694 119 ASP CA C 57.724 0.200 1 1226 694 119 ASP CB C 40.721 0.200 1 1227 694 119 ASP N N 127.886 0.200 1 1228 695 120 ARG H H 8.719 0.020 1 1229 695 120 ARG N N 125.505 0.200 1 1230 696 121 ASP H H 8.854 0.020 1 1231 696 121 ASP C C 175.336 0.200 1 1232 696 121 ASP N N 120.670 0.200 1 1233 697 122 ALA H H 6.772 0.020 1 1234 697 122 ALA C C 178.936 0.200 1 1235 697 122 ALA N N 134.029 0.200 1 1236 698 123 GLY H H 8.076 0.020 1 1237 698 123 GLY HA2 H 4.230 0.020 2 1238 698 123 GLY HA3 H 3.889 0.020 2 1239 698 123 GLY C C 176.276 0.200 1 1240 698 123 GLY CA C 45.942 0.200 1 1241 698 123 GLY N N 106.199 0.200 1 1242 699 124 VAL H H 9.127 0.020 1 1243 699 124 VAL HA H 3.856 0.020 1 1244 699 124 VAL HB H 2.492 0.020 1 1245 699 124 VAL HG1 H 1.587 0.020 2 1246 699 124 VAL HG2 H 1.429 0.020 2 1247 699 124 VAL C C 177.297 0.200 1 1248 699 124 VAL CA C 67.934 0.200 1 1249 699 124 VAL CB C 33.462 0.200 1 1250 699 124 VAL CG1 C 21.757 0.200 1 1251 699 124 VAL CG2 C 23.093 0.200 1 1252 699 124 VAL N N 128.107 0.200 1 1253 700 125 GLY H H 7.981 0.020 1 1254 700 125 GLY HA2 H 4.923 0.020 2 1255 700 125 GLY HA3 H 4.025 0.020 2 1256 700 125 GLY C C 172.058 0.200 1 1257 700 125 GLY CA C 45.284 0.200 1 1258 700 125 GLY N N 104.403 0.200 1 1259 701 126 PHE H H 7.859 0.020 1 1260 701 126 PHE N N 117.411 0.200 1 1261 702 127 PRO HA H 4.001 0.020 1 1262 702 127 PRO HB2 H 1.595 0.020 2 1263 702 127 PRO HB3 H 1.248 0.020 2 1264 702 127 PRO HD2 H 2.347 0.020 2 1265 702 127 PRO HD3 H 0.842 0.020 2 1266 702 127 PRO HG2 H 1.338 0.020 2 1267 702 127 PRO HG3 H 0.651 0.020 2 1268 702 127 PRO C C 175.316 0.200 1 1269 702 127 PRO CA C 62.089 0.200 1 1270 702 127 PRO CB C 32.280 0.200 1 1271 702 127 PRO CD C 48.339 0.200 1 1272 702 127 PRO CG C 26.013 0.200 1 1273 703 128 GLU H H 9.003 0.020 1 1274 703 128 GLU HA H 4.796 0.020 1 1275 703 128 GLU HB2 H 2.133 0.020 2 1276 703 128 GLU HB3 H 1.998 0.020 2 1277 703 128 GLU HG2 H 2.332 0.009 2 1278 703 128 GLU C C 176.892 0.200 1 1279 703 128 GLU CA C 54.834 0.200 1 1280 703 128 GLU CB C 33.574 0.200 1 1281 703 128 GLU CG C 37.378 0.200 1 1282 703 128 GLU N N 117.330 0.200 1 1283 704 129 TYR H H 9.106 0.020 1 1284 704 129 TYR HA H 3.939 0.020 1 1285 704 129 TYR HB2 H 2.736 0.020 2 1286 704 129 TYR HB3 H 2.607 0.020 2 1287 704 129 TYR HD1 H 6.139 0.020 1 1288 704 129 TYR HD2 H 6.139 0.020 1 1289 704 129 TYR HE1 H 6.431 0.020 1 1290 704 129 TYR HE2 H 6.431 0.020 1 1291 704 129 TYR C C 175.015 0.200 1 1292 704 129 TYR CA C 58.901 0.200 1 1293 704 129 TYR CB C 38.977 0.200 1 1294 704 129 TYR CD1 C 132.824 0.200 1 1295 704 129 TYR CE1 C 117.811 0.200 1 1296 704 129 TYR N N 126.499 0.200 1 1297 705 130 GLN H H 7.933 0.020 1 1298 705 130 GLN HA H 4.225 0.020 1 1299 705 130 GLN HB2 H 1.839 0.020 2 1300 705 130 GLN HB3 H 1.430 0.020 2 1301 705 130 GLN HE21 H 6.962 0.020 2 1302 705 130 GLN HE22 H 6.663 0.020 2 1303 705 130 GLN HG2 H 2.009 0.001 2 1304 705 130 GLN HG3 H 1.955 0.001 2 1305 705 130 GLN C C 172.742 0.200 1 1306 705 130 GLN CA C 56.428 0.200 1 1307 705 130 GLN CB C 30.866 0.113 1 1308 705 130 GLN CG C 34.426 0.200 1 1309 705 130 GLN N N 127.301 0.200 1 1310 705 130 GLN NE2 N 111.420 0.200 1 1311 706 131 GLU H H 6.226 0.020 1 1312 706 131 GLU HA H 3.978 0.020 1 1313 706 131 GLU HB2 H 2.164 0.020 2 1314 706 131 GLU HB3 H 1.841 0.020 2 1315 706 131 GLU CA C 56.544 0.200 1 1316 706 131 GLU CB C 30.866 0.200 1 1317 706 131 GLU N N 110.650 0.200 1 1318 707 132 GLU H H 8.004 0.020 1 1319 707 132 GLU HA H 4.090 0.020 1 1320 707 132 GLU HB2 H 1.736 0.020 2 1321 707 132 GLU HB3 H 1.588 0.020 2 1322 707 132 GLU HG2 H 1.443 0.020 2 1323 707 132 GLU HG3 H 0.929 0.020 2 1324 707 132 GLU C C 175.354 0.200 1 1325 707 132 GLU CA C 55.133 0.200 1 1326 707 132 GLU CB C 30.543 0.200 1 1327 707 132 GLU CG C 34.102 0.200 1 1328 707 132 GLU N N 124.258 0.200 1 1329 708 133 ASP H H 8.830 0.020 1 1330 708 133 ASP HA H 4.030 0.020 1 1331 708 133 ASP HB2 H 3.090 0.020 2 1332 708 133 ASP HB3 H 2.830 0.020 2 1333 708 133 ASP CA C 55.133 0.200 1 1334 708 133 ASP CB C 44.132 0.200 1 1335 708 133 ASP N N 125.294 0.200 1 1336 709 134 ASN H H 8.890 0.020 1 1337 709 134 ASN HA H 4.308 0.020 1 1338 709 134 ASN HB2 H 3.041 0.020 2 1339 709 134 ASN HB3 H 2.592 0.015 2 1340 709 134 ASN HD21 H 6.810 0.020 2 1341 709 134 ASN HD22 H 6.556 0.020 2 1342 709 134 ASN C C 175.706 0.200 1 1343 709 134 ASN CA C 55.133 0.200 1 1344 709 134 ASN CB C 37.985 0.200 1 1345 709 134 ASN N N 124.010 0.200 1 1346 709 134 ASN ND2 N 111.193 0.200 1 1347 710 135 SER H H 8.605 0.020 1 1348 710 135 SER HA H 4.174 0.016 1 1349 710 135 SER HB2 H 4.230 0.015 2 1350 710 135 SER HB3 H 4.161 0.020 2 1351 710 135 SER C C 172.724 0.200 1 1352 710 135 SER CA C 59.987 0.200 1 1353 710 135 SER CB C 62.575 0.200 1 1354 710 135 SER N N 109.623 0.200 1 1355 711 136 THR H H 7.598 0.020 1 1356 711 136 THR HA H 5.209 0.020 1 1357 711 136 THR HB H 4.043 0.020 1 1358 711 136 THR HG2 H 1.116 0.020 1 1359 711 136 THR C C 172.671 0.200 1 1360 711 136 THR CA C 61.281 0.200 1 1361 711 136 THR CB C 71.959 0.200 1 1362 711 136 THR CG2 C 22.477 0.200 1 1363 711 136 THR N N 114.504 0.200 1 1364 712 137 TYR H H 9.636 0.020 1 1365 712 137 TYR HA H 4.469 0.015 1 1366 712 137 TYR HB2 H 3.502 0.020 2 1367 712 137 TYR HB3 H 2.622 0.020 2 1368 712 137 TYR HD1 H 7.436 0.001 1 1369 712 137 TYR HD2 H 7.436 0.001 1 1370 712 137 TYR HE1 H 6.423 0.001 1 1371 712 137 TYR HE2 H 6.423 0.001 1 1372 712 137 TYR C C 174.460 0.200 1 1373 712 137 TYR CA C 58.830 0.200 1 1374 712 137 TYR CB C 39.264 0.200 1 1375 712 137 TYR CD1 C 133.600 0.200 1 1376 712 137 TYR CE1 C 118.070 0.200 1 1377 712 137 TYR N N 127.148 0.200 1 1378 713 138 ASN H H 8.429 0.020 1 1379 713 138 ASN HA H 5.639 0.020 1 1380 713 138 ASN HB2 H 2.625 0.020 2 1381 713 138 ASN HB3 H 2.419 0.020 2 1382 713 138 ASN HD21 H 7.336 0.020 2 1383 713 138 ASN HD22 H 6.888 0.020 2 1384 713 138 ASN C C 173.890 0.200 1 1385 713 138 ASN CA C 53.430 0.200 1 1386 713 138 ASN CB C 41.872 0.200 1 1387 713 138 ASN N N 122.468 0.200 1 1388 713 138 ASN ND2 N 113.115 0.071 1 1389 714 139 PHE H H 9.048 0.020 1 1390 714 139 PHE HA H 5.186 0.020 1 1391 714 139 PHE HB2 H 2.722 0.020 2 1392 714 139 PHE HB3 H 2.645 0.020 2 1393 714 139 PHE HD1 H 6.940 0.001 1 1394 714 139 PHE HD2 H 6.940 0.001 1 1395 714 139 PHE HE1 H 6.828 0.020 1 1396 714 139 PHE HE2 H 6.828 0.020 1 1397 714 139 PHE HZ H 6.893 0.020 1 1398 714 139 PHE C C 174.506 0.200 1 1399 714 139 PHE CA C 56.520 0.200 1 1400 714 139 PHE CB C 43.162 0.200 1 1401 714 139 PHE CD1 C 132.047 0.200 1 1402 714 139 PHE CE1 C 130.753 0.200 1 1403 714 139 PHE CZ C 128.941 0.200 1 1404 714 139 PHE N N 119.734 0.200 1 1405 715 140 ARG H H 9.172 0.020 1 1406 715 140 ARG HA H 5.131 0.020 1 1407 715 140 ARG HB2 H 1.643 0.020 2 1408 715 140 ARG HB3 H 1.538 0.020 2 1409 715 140 ARG HD2 H 2.939 0.020 2 1410 715 140 ARG HE H 7.209 0.020 1 1411 715 140 ARG HG2 H 1.300 0.020 2 1412 715 140 ARG C C 175.001 0.200 1 1413 715 140 ARG CA C 54.911 0.200 1 1414 715 140 ARG CB C 33.903 0.200 1 1415 715 140 ARG CD C 44.264 0.200 1 1416 715 140 ARG CG C 27.410 0.200 1 1417 715 140 ARG N N 123.122 0.200 1 1418 715 140 ARG NE N 117.073 0.200 1 1419 716 141 TRP H H 8.749 0.020 1 1420 716 141 TRP HA H 4.922 0.010 1 1421 716 141 TRP HB2 H 2.929 0.020 2 1422 716 141 TRP HB3 H 2.208 0.020 2 1423 716 141 TRP HD1 H 6.802 0.003 1 1424 716 141 TRP HE1 H 10.859 0.020 1 1425 716 141 TRP HE3 H 6.694 0.005 1 1426 716 141 TRP HH2 H 5.554 0.020 1 1427 716 141 TRP HZ2 H 6.876 0.020 1 1428 716 141 TRP HZ3 H 6.097 0.010 1 1429 716 141 TRP C C 175.481 0.200 1 1430 716 141 TRP CA C 55.933 0.200 1 1431 716 141 TRP CB C 31.942 0.200 1 1432 716 141 TRP CD1 C 123.764 0.200 1 1433 716 141 TRP CE3 C 119.882 0.200 1 1434 716 141 TRP CH2 C 124.800 0.200 1 1435 716 141 TRP CZ2 C 114.964 0.200 1 1436 716 141 TRP CZ3 C 119.882 0.200 1 1437 716 141 TRP N N 128.581 0.200 1 1438 716 141 TRP NE1 N 130.128 0.200 1 1439 717 142 TYR H H 9.248 0.020 1 1440 717 142 TYR HA H 5.339 0.020 1 1441 717 142 TYR HB2 H 3.033 0.015 2 1442 717 142 TYR HB3 H 2.956 0.015 2 1443 717 142 TYR HD1 H 7.103 0.004 1 1444 717 142 TYR HD2 H 7.103 0.004 1 1445 717 142 TYR HE1 H 6.796 0.003 1 1446 717 142 TYR HE2 H 6.796 0.003 1 1447 717 142 TYR C C 176.236 0.200 1 1448 717 142 TYR CA C 59.073 0.200 1 1449 717 142 TYR CB C 38.920 0.200 1 1450 717 142 TYR CD1 C 133.859 0.200 1 1451 717 142 TYR CE1 C 118.329 0.200 1 1452 717 142 TYR N N 127.792 0.200 1 1453 718 143 THR H H 9.324 0.020 1 1454 718 143 THR HA H 5.214 0.016 1 1455 718 143 THR HB H 4.747 0.016 1 1456 718 143 THR HG2 H 1.159 0.020 1 1457 718 143 THR C C 174.940 0.200 1 1458 718 143 THR CA C 59.663 0.200 1 1459 718 143 THR CB C 70.659 0.200 1 1460 718 143 THR CG2 C 19.085 0.200 1 1461 718 143 THR N N 118.101 0.200 1 1462 719 144 SER H H 9.773 0.020 1 1463 719 144 SER HA H 4.553 0.015 1 1464 719 144 SER HB2 H 3.953 0.015 2 1465 719 144 SER HB3 H 3.739 0.015 2 1466 719 144 SER C C 177.402 0.200 1 1467 719 144 SER CA C 62.137 0.200 1 1468 719 144 SER CB C 64.131 0.200 1 1469 719 144 SER N N 128.968 0.200 1 1470 720 145 TYR H H 8.348 0.020 1 1471 720 145 TYR HA H 4.281 0.020 1 1472 720 145 TYR HB2 H 3.230 0.020 2 1473 720 145 TYR HB3 H 2.552 0.020 2 1474 720 145 TYR HD1 H 7.306 0.002 1 1475 720 145 TYR HD2 H 7.306 0.002 1 1476 720 145 TYR HE1 H 6.799 0.016 1 1477 720 145 TYR HE2 H 6.799 0.016 1 1478 720 145 TYR C C 174.100 0.200 1 1479 720 145 TYR CA C 61.217 0.200 1 1480 720 145 TYR CB C 37.625 0.200 1 1481 720 145 TYR CD1 C 133.342 0.200 1 1482 720 145 TYR CE1 C 118.329 0.200 1 1483 720 145 TYR N N 119.873 0.200 1 1484 721 146 ALA H H 6.912 0.020 1 1485 721 146 ALA HA H 4.432 0.020 1 1486 721 146 ALA HB H 1.101 0.020 1 1487 721 146 ALA C C 174.190 0.200 1 1488 721 146 ALA CA C 50.979 0.200 1 1489 721 146 ALA CB C 18.661 0.200 1 1490 721 146 ALA N N 118.547 0.200 1 1491 722 147 CYS H H 7.342 0.020 1 1492 722 147 CYS HA H 5.127 0.020 1 1493 722 147 CYS HB2 H 3.244 0.020 2 1494 722 147 CYS HB3 H 3.136 0.015 2 1495 722 147 CYS CA C 52.221 0.200 1 1496 722 147 CYS CB C 41.868 0.200 1 1497 722 147 CYS N N 117.747 0.200 1 1498 723 148 PRO HA H 4.226 0.020 1 1499 723 148 PRO HB2 H 2.709 0.015 2 1500 723 148 PRO HB3 H 1.982 0.020 2 1501 723 148 PRO HD2 H 4.407 0.016 2 1502 723 148 PRO HD3 H 3.835 0.020 2 1503 723 148 PRO HG2 H 2.412 0.016 2 1504 723 148 PRO HG3 H 2.138 0.016 2 1505 723 148 PRO CA C 64.193 0.200 1 1506 723 148 PRO CB C 32.963 0.166 1 1507 723 148 PRO CD C 51.898 0.200 1 1508 723 148 PRO CG C 28.278 0.200 1 stop_ save_