data_16772 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF CI-MPR ligand-free domain 5 ; _BMRB_accession_number 16772 _BMRB_flat_file_name bmr16772.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" 774 "13C chemical shifts" 569 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-03 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16773 'CI-MPR domain5 (complex 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 16773 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 X-33 pPICZ-alpha-A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '1.0 mM domain-5 U-15N/13C, 10 mM bis-Tris, 150 mM sodium chloride' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CI-MPR_domain5 1 mM '[U-100% 13C; U-100% 15N]' bis-tris 10 mM [U-2H] 'sodium chloride' 150 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 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY (AROMATIC)' _Sample_label $sample 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 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 176.501 0.090 1 2 579 4 ALA H H 8.036 0.020 1 3 579 4 ALA HA H 4.358 0.020 1 4 579 4 ALA HB H 1.414 0.020 1 5 579 4 ALA C C 174.715 2.597 1 6 579 4 ALA CA C 53.211 0.200 1 7 579 4 ALA CB C 19.506 0.200 1 8 579 4 ALA N N 125.921 0.200 1 9 580 5 GLU H H 8.483 0.020 1 10 580 5 GLU HA H 4.356 0.020 1 11 580 5 GLU HB2 H 2.015 0.020 2 12 580 5 GLU HB3 H 1.959 0.020 2 13 580 5 GLU HG2 H 2.272 0.020 2 14 580 5 GLU HG3 H 2.241 0.020 2 15 580 5 GLU C C 175.931 0.200 1 16 580 5 GLU CA C 57.057 0.200 1 17 580 5 GLU CB C 30.940 0.200 1 18 580 5 GLU CG C 36.607 0.200 1 19 580 5 GLU N N 120.768 0.200 1 20 581 6 PHE H H 8.324 0.020 1 21 581 6 PHE HA H 4.700 0.020 1 22 581 6 PHE HB2 H 3.192 0.020 2 23 581 6 PHE HB3 H 3.060 0.020 2 24 581 6 PHE C C 175.691 0.200 1 25 581 6 PHE CA C 57.899 0.200 1 26 581 6 PHE CB C 40.102 0.200 1 27 581 6 PHE N N 121.393 0.200 1 28 582 7 LEU H H 8.085 0.020 1 29 582 7 LEU HA H 4.465 0.020 1 30 582 7 LEU HB2 H 1.686 0.020 2 31 582 7 LEU HB3 H 1.608 0.020 2 32 582 7 LEU HD1 H 0.924 0.005 2 33 582 7 LEU HD2 H 0.893 0.020 2 34 582 7 LEU HG H 1.599 0.020 1 35 582 7 LEU C C 177.027 0.200 1 36 582 7 LEU CA C 55.421 0.200 1 37 582 7 LEU CB C 43.084 0.200 1 38 582 7 LEU CD1 C 25.366 0.200 1 39 582 7 LEU CD2 C 24.072 0.200 1 40 582 7 LEU CG C 27.576 0.200 1 41 582 7 LEU N N 123.994 0.200 1 42 583 8 SER H H 8.215 0.020 1 43 583 8 SER HA H 4.593 0.020 1 44 583 8 SER HB3 H 3.963 0.020 2 45 583 8 SER C C 174.130 0.200 1 46 583 8 SER CA C 58.536 0.200 1 47 583 8 SER CB C 64.919 0.200 1 48 583 8 SER N N 116.640 0.200 1 49 584 9 ARG H H 8.313 0.020 1 50 584 9 ARG HA H 4.952 0.001 1 51 584 9 ARG HB2 H 1.888 0.020 2 52 584 9 ARG HB3 H 1.805 0.020 2 53 584 9 ARG HD2 H 3.136 0.007 2 54 584 9 ARG HD3 H 3.101 0.007 2 55 584 9 ARG HE H 6.805 0.020 1 56 584 9 ARG HG2 H 1.534 0.002 2 57 584 9 ARG HG3 H 1.617 0.020 2 58 584 9 ARG C C 176.231 0.200 1 59 584 9 ARG CA C 56.137 0.200 1 60 584 9 ARG CB C 32.280 0.200 1 61 584 9 ARG CD C 44.132 0.200 1 62 584 9 ARG CG C 27.718 0.200 1 63 584 9 ARG N N 123.448 0.200 1 64 584 9 ARG NE N 84.188 0.200 1 65 585 10 THR H H 8.744 0.020 1 66 585 10 THR HA H 4.694 0.020 1 67 585 10 THR HB H 4.351 0.020 1 68 585 10 THR HG2 H 1.442 0.020 1 69 585 10 THR C C 173.424 0.200 1 70 585 10 THR CA C 62.725 0.200 1 71 585 10 THR CB C 71.278 0.200 1 72 585 10 THR CG2 C 22.682 0.200 1 73 585 10 THR N N 120.108 0.200 1 74 586 11 GLU H H 8.687 0.020 1 75 586 11 GLU HA H 5.173 0.020 1 76 586 11 GLU HB2 H 2.217 0.020 2 77 586 11 GLU HB3 H 2.045 0.020 2 78 586 11 GLU HG2 H 2.399 0.020 2 79 586 11 GLU HG3 H 2.330 0.020 2 80 586 11 GLU C C 176.696 0.200 1 81 586 11 GLU CA C 55.907 0.200 1 82 586 11 GLU CB C 33.181 0.200 1 83 586 11 GLU CG C 36.967 0.200 1 84 586 11 GLU N N 125.214 0.200 1 85 587 12 GLY H H 8.943 0.020 1 86 587 12 GLY HA2 H 4.623 0.020 2 87 587 12 GLY HA3 H 4.508 0.020 2 88 587 12 GLY C C 172.974 0.200 1 89 587 12 GLY CA C 44.901 0.200 1 90 587 12 GLY N N 112.722 0.200 1 91 588 13 ASP H H 8.203 0.020 1 92 588 13 ASP HA H 5.216 0.020 1 93 588 13 ASP HB2 H 2.685 0.002 2 94 588 13 ASP HB3 H 2.685 0.002 2 95 588 13 ASP C C 176.486 0.200 1 96 588 13 ASP CA C 53.327 0.200 1 97 588 13 ASP CB C 44.153 0.200 1 98 588 13 ASP N N 117.475 0.200 1 99 589 14 ASN H H 9.449 0.020 1 100 589 14 ASN HA H 4.528 0.020 1 101 589 14 ASN HB2 H 3.061 0.020 2 102 589 14 ASN HB3 H 2.945 0.020 2 103 589 14 ASN C C 174.340 0.200 1 104 589 14 ASN CA C 54.042 0.200 1 105 589 14 ASN CB C 38.469 0.200 1 106 589 14 ASN N N 117.346 0.200 1 107 590 15 CYS H H 9.956 0.020 1 108 590 15 CYS HA H 3.833 0.020 1 109 590 15 CYS HB2 H 2.842 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 42.916 0.200 1 113 590 15 CYS N N 118.872 0.200 1 114 591 16 THR H H 7.550 0.020 1 115 591 16 THR HA H 5.364 0.020 1 116 591 16 THR HB H 4.299 0.020 1 117 591 16 THR HG2 H 1.269 0.020 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 107.551 0.200 1 123 592 17 VAL H H 8.456 0.020 1 124 592 17 VAL HA H 4.607 0.020 1 125 592 17 VAL HB H 2.245 0.020 1 126 592 17 VAL HG1 H 0.907 0.020 2 127 592 17 VAL HG2 H 1.016 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 20.421 0.200 1 132 592 17 VAL CG2 C 22.991 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 5.244 0.020 1 136 593 18 PHE HB2 H 3.095 0.020 2 137 593 18 PHE HB3 H 3.121 0.020 2 138 593 18 PHE C C 174.025 0.200 1 139 593 18 PHE CA C 56.188 0.200 1 140 593 18 PHE CB C 42.015 0.200 1 141 593 18 PHE N N 126.274 0.200 1 142 594 19 ASP H H 8.085 0.020 1 143 594 19 ASP HA H 4.738 0.020 1 144 594 19 ASP HB2 H 2.397 0.020 2 145 594 19 ASP HB3 H 2.236 0.020 2 146 594 19 ASP C C 176.388 0.007 1 147 594 19 ASP CA C 53.397 0.200 1 148 594 19 ASP CB C 44.041 0.200 1 149 594 19 ASP N N 122.517 0.200 1 150 595 20 SER H H 8.670 0.020 1 151 595 20 SER HA H 4.091 0.020 1 152 595 20 SER HB3 H 3.955 0.020 2 153 595 20 SER C C 175.946 0.200 1 154 595 20 SER CA C 60.988 0.200 1 155 595 20 SER CB C 63.962 0.200 1 156 595 20 SER N N 121.483 0.200 1 157 596 21 GLN H H 8.252 0.020 1 158 596 21 GLN HA H 4.228 0.002 1 159 596 21 GLN HB2 H 2.260 0.020 2 160 596 21 GLN HB3 H 2.263 0.020 2 161 596 21 GLN HE21 H 7.582 0.020 2 162 596 21 GLN HE22 H 6.855 0.020 2 163 596 21 GLN HG2 H 2.491 0.020 2 164 596 21 GLN HG3 H 2.408 0.003 2 165 596 21 GLN C C 177.357 0.200 1 166 596 21 GLN CA C 58.614 0.200 1 167 596 21 GLN CB C 28.823 0.207 1 168 596 21 GLN CG C 34.817 0.234 1 169 596 21 GLN N N 122.035 0.200 1 170 596 21 GLN NE2 N 112.449 0.200 1 171 597 22 ALA H H 7.954 0.020 1 172 597 22 ALA HA H 4.202 0.020 1 173 597 22 ALA HB H 1.040 0.020 1 174 597 22 ALA C C 178.423 0.200 1 175 597 22 ALA CA C 52.613 0.200 1 176 597 22 ALA CB C 19.955 0.200 1 177 597 22 ALA N N 120.622 0.200 1 178 598 23 GLY H H 7.830 0.020 1 179 598 23 GLY HA2 H 4.004 0.020 2 180 598 23 GLY HA3 H 3.694 0.020 2 181 598 23 GLY C C 174.400 0.200 1 182 598 23 GLY CA C 46.357 0.200 1 183 598 23 GLY N N 105.464 0.200 1 184 599 24 PHE H H 6.856 0.020 1 185 599 24 PHE HA H 4.969 0.020 1 186 599 24 PHE HB2 H 2.803 0.020 2 187 599 24 PHE HB3 H 2.657 0.020 2 188 599 24 PHE HD1 H 7.259 0.020 1 189 599 24 PHE HD2 H 7.259 0.020 1 190 599 24 PHE C C 174.259 0.006 1 191 599 24 PHE CA C 54.732 0.200 1 192 599 24 PHE CB C 42.184 0.200 1 193 599 24 PHE CD1 C 131.530 0.200 1 194 599 24 PHE N N 116.640 0.200 1 195 600 25 SER H H 8.103 0.020 1 196 600 25 SER HA H 4.918 0.020 1 197 600 25 SER HB2 H 3.682 0.020 2 198 600 25 SER C C 172.674 0.200 1 199 600 25 SER CA C 57.332 0.200 1 200 600 25 SER CB C 65.642 0.200 1 201 600 25 SER N N 116.062 0.200 1 202 601 26 PHE H H 8.779 0.020 1 203 601 26 PHE HA H 4.983 0.020 1 204 601 26 PHE HB2 H 2.669 0.020 2 205 601 26 PHE HB3 H 2.853 0.020 2 206 601 26 PHE C C 175.195 0.200 1 207 601 26 PHE CA C 57.082 0.200 1 208 601 26 PHE CB C 42.288 0.200 1 209 601 26 PHE N N 122.231 0.200 1 210 602 27 ASP H H 9.004 0.020 1 211 602 27 ASP HA H 5.071 0.020 1 212 602 27 ASP HB2 H 2.982 0.020 2 213 602 27 ASP HB3 H 2.601 0.020 2 214 602 27 ASP C C 175.316 0.200 1 215 602 27 ASP CA C 53.787 0.200 1 216 602 27 ASP CB C 42.578 0.200 1 217 602 27 ASP N N 123.191 0.200 1 218 603 28 LEU H H 8.198 0.020 1 219 603 28 LEU HA H 4.353 0.020 1 220 603 28 LEU HB2 H 1.271 0.020 2 221 603 28 LEU HB3 H 1.459 0.020 2 222 603 28 LEU HD1 H -0.058 0.020 2 223 603 28 LEU HD2 H -0.107 0.020 2 224 603 28 LEU HG H 1.005 0.020 1 225 603 28 LEU C C 176.997 0.200 1 226 603 28 LEU CA C 54.528 0.200 1 227 603 28 LEU CB C 41.452 0.200 1 228 603 28 LEU CD1 C 24.418 0.083 1 229 603 28 LEU CD2 C 23.425 0.200 1 230 603 28 LEU CG C 29.572 0.200 1 231 603 28 LEU N N 123.255 0.200 1 232 604 29 THR H H 8.785 0.020 1 233 604 29 THR HA H 4.103 0.005 1 234 604 29 THR HB H 4.287 0.001 1 235 604 29 THR HG2 H 1.417 0.001 1 236 604 29 THR CA C 67.753 0.200 1 237 604 29 THR CB C 69.370 0.200 1 238 604 29 THR CG2 C 23.425 0.200 1 239 604 29 THR N N 116.479 0.200 1 240 605 30 PRO HA H 4.353 0.003 1 241 605 30 PRO HB2 H 2.248 0.003 2 242 605 30 PRO HB3 H 0.743 0.002 2 243 605 30 PRO HD2 H 2.853 0.002 2 244 605 30 PRO HD3 H 3.716 0.002 2 245 605 30 PRO HG2 H 1.717 0.002 2 246 605 30 PRO HG3 H 1.717 0.002 2 247 605 30 PRO C C 176.696 0.200 1 248 605 30 PRO CA C 65.541 0.200 1 249 605 30 PRO CB C 31.604 0.200 1 250 605 30 PRO CD C 51.251 0.200 1 251 605 30 PRO CG C 28.540 0.200 1 252 606 31 LEU H H 7.975 0.020 1 253 606 31 LEU HA H 4.247 0.020 1 254 606 31 LEU HB2 H 1.729 0.020 2 255 606 31 LEU HB3 H 1.467 0.020 2 256 606 31 LEU HD1 H 0.608 0.020 2 257 606 31 LEU HD2 H 0.350 0.020 2 258 606 31 LEU HG H 1.495 0.020 1 259 606 31 LEU C C 179.233 0.200 1 260 606 31 LEU CA C 56.264 0.200 1 261 606 31 LEU CB C 41.959 0.200 1 262 606 31 LEU CD1 C 25.149 0.200 1 263 606 31 LEU CD2 C 25.690 0.200 1 264 606 31 LEU CG C 29.572 0.200 1 265 606 31 LEU N N 114.135 0.200 1 266 607 32 THR H H 7.953 0.020 1 267 607 32 THR HA H 4.271 0.020 1 268 607 32 THR HB H 4.052 0.020 1 269 607 32 THR HG2 H 1.286 0.020 1 270 607 32 THR C C 174.910 0.200 1 271 607 32 THR CA C 66.096 0.200 1 272 607 32 THR CB C 69.534 0.200 1 273 607 32 THR CG2 C 22.169 0.200 1 274 607 32 THR N N 119.594 0.200 1 275 608 33 LYS H H 9.132 0.020 1 276 608 33 LYS HA H 4.791 0.020 1 277 608 33 LYS HB2 H 1.856 0.020 2 278 608 33 LYS HB3 H 1.583 0.020 2 279 608 33 LYS HD2 H 1.110 0.001 2 280 608 33 LYS HE2 H 2.834 0.008 2 281 608 33 LYS HG2 H 1.536 0.020 2 282 608 33 LYS HG3 H 1.462 0.020 2 283 608 33 LYS C C 177.297 0.200 1 284 608 33 LYS CA C 55.601 0.200 1 285 608 33 LYS CB C 37.175 0.200 1 286 608 33 LYS CD C 29.260 0.200 1 287 608 33 LYS CE C 42.191 0.200 1 288 608 33 LYS CG C 26.176 0.200 1 289 608 33 LYS N N 130.320 0.200 1 290 609 34 LYS H H 8.739 0.020 1 291 609 34 LYS HA H 4.204 0.020 1 292 609 34 LYS HB2 H 1.887 0.020 2 293 609 34 LYS HD2 H 1.753 0.020 2 294 609 34 LYS HE2 H 3.078 0.020 2 295 609 34 LYS HE3 H 3.078 0.020 2 296 609 34 LYS HG2 H 1.523 0.020 2 297 609 34 LYS C C 176.967 0.200 1 298 609 34 LYS CA C 59.016 0.200 1 299 609 34 LYS CB C 32.898 0.200 1 300 609 34 LYS CD C 29.054 0.200 1 301 609 34 LYS CE C 42.760 0.200 1 302 609 34 LYS CG C 25.042 0.200 1 303 609 34 LYS N N 121.682 0.200 1 304 610 35 ASP H H 7.914 0.020 1 305 610 35 ASP HA H 4.789 0.020 1 306 610 35 ASP HB2 H 2.770 0.020 2 307 610 35 ASP C C 174.640 0.200 1 308 610 35 ASP CA C 54.299 0.200 1 309 610 35 ASP CB C 41.115 0.200 1 310 610 35 ASP N N 116.351 0.200 1 311 611 36 ALA H H 8.484 0.020 1 312 611 36 ALA HA H 4.140 0.020 1 313 611 36 ALA HB H 1.707 0.020 1 314 611 36 ALA C C 176.141 0.200 1 315 611 36 ALA CA C 53.516 0.200 1 316 611 36 ALA CB C 21.483 0.200 1 317 611 36 ALA N N 118.502 0.200 1 318 612 37 TYR H H 9.192 0.020 1 319 612 37 TYR HA H 4.646 0.020 1 320 612 37 TYR HB2 H 2.876 0.020 2 321 612 37 TYR HB3 H 2.447 0.020 2 322 612 37 TYR HD1 H 7.474 0.020 1 323 612 37 TYR HD2 H 7.474 0.020 1 324 612 37 TYR HE1 H 7.391 0.020 1 325 612 37 TYR HE2 H 7.391 0.020 1 326 612 37 TYR HH H 10.644 0.020 1 327 612 37 TYR C C 175.015 0.200 1 328 612 37 TYR CA C 58.435 0.200 1 329 612 37 TYR CB C 39.300 0.200 1 330 612 37 TYR CD1 C 134.118 0.200 1 331 612 37 TYR CE1 C 119.105 0.200 1 332 612 37 TYR N N 119.819 0.200 1 333 613 38 LYS H H 8.711 0.020 1 334 613 38 LYS HA H 5.271 0.001 1 335 613 38 LYS HB2 H 1.886 0.020 2 336 613 38 LYS HB3 H 1.688 0.001 2 337 613 38 LYS HD2 H 1.710 0.001 2 338 613 38 LYS HE2 H 3.056 0.020 2 339 613 38 LYS HE3 H 2.890 0.003 2 340 613 38 LYS HG2 H 1.005 0.001 2 341 613 38 LYS HG3 H 0.936 0.005 2 342 613 38 LYS C C 175.766 0.200 1 343 613 38 LYS CA C 55.422 0.200 1 344 613 38 LYS CB C 34.756 0.200 1 345 613 38 LYS CD C 29.876 0.200 1 346 613 38 LYS CE C 42.191 0.200 1 347 613 38 LYS CG C 25.252 0.200 1 348 613 38 LYS N N 124.475 0.200 1 349 614 39 VAL H H 9.347 0.020 1 350 614 39 VAL HA H 4.548 0.020 1 351 614 39 VAL HB H 2.331 0.020 1 352 614 39 VAL HG1 H 1.292 0.020 2 353 614 39 VAL HG2 H 0.979 0.020 2 354 614 39 VAL C C 175.240 0.200 1 355 614 39 VAL CA C 61.754 0.200 1 356 614 39 VAL CB C 35.093 0.200 1 357 614 39 VAL CG1 C 21.807 0.200 1 358 614 39 VAL CG2 C 21.757 0.200 1 359 614 39 VAL N N 128.103 0.200 1 360 615 40 GLU H H 9.061 0.020 1 361 615 40 GLU HA H 5.175 0.001 1 362 615 40 GLU HB2 H 2.137 0.001 2 363 615 40 GLU HB3 H 2.107 0.020 2 364 615 40 GLU HG2 H 2.337 0.020 2 365 615 40 GLU HG3 H 2.246 0.001 2 366 615 40 GLU C C 176.546 0.200 1 367 615 40 GLU CA C 56.392 0.200 1 368 615 40 GLU CB C 33.145 0.022 1 369 615 40 GLU CG C 37.725 0.064 1 370 615 40 GLU N N 126.723 0.200 1 371 616 41 THR H H 8.999 0.020 1 372 616 41 THR HA H 5.090 0.020 1 373 616 41 THR HB H 4.931 0.020 1 374 616 41 THR HG1 H 5.850 0.020 1 375 616 41 THR HG2 H 1.485 0.020 1 376 616 41 THR C C 174.340 0.200 1 377 616 41 THR CA C 60.069 0.200 1 378 616 41 THR CB C 72.235 0.200 1 379 616 41 THR CG2 C 22.477 0.200 1 380 616 41 THR N N 115.740 0.200 1 381 617 42 ASP H H 8.808 0.020 1 382 617 42 ASP HA H 4.391 0.020 1 383 617 42 ASP HB2 H 2.831 0.020 2 384 617 42 ASP HB3 H 2.807 0.001 2 385 617 42 ASP C C 177.971 0.200 1 386 617 42 ASP CA C 58.000 0.200 1 387 617 42 ASP CB C 40.946 0.200 1 388 617 42 ASP N N 118.310 0.200 1 389 618 43 LYS H H 7.949 0.020 1 390 618 43 LYS HA H 4.321 0.020 1 391 618 43 LYS HB2 H 1.248 0.020 2 392 618 43 LYS HB3 H 1.083 0.020 2 393 618 43 LYS HD2 H 1.687 0.020 2 394 618 43 LYS HE2 H 3.043 0.020 2 395 618 43 LYS HE3 H 3.043 0.020 2 396 618 43 LYS HG2 H 1.370 0.020 2 397 618 43 LYS C C 177.147 0.200 1 398 618 43 LYS CA C 57.208 0.200 1 399 618 43 LYS CB C 35.657 0.200 1 400 618 43 LYS CD C 29.362 0.200 1 401 618 43 LYS CE C 42.672 0.200 1 402 618 43 LYS CG C 25.457 0.200 1 403 618 43 LYS N N 114.541 0.200 1 404 619 44 TYR H H 7.575 0.020 1 405 619 44 TYR HA H 5.556 0.020 1 406 619 44 TYR HB2 H 2.234 0.020 2 407 619 44 TYR HB3 H 2.342 0.020 2 408 619 44 TYR HD1 H 7.095 0.020 1 409 619 44 TYR HD2 H 7.095 0.020 1 410 619 44 TYR HE1 H 6.943 0.020 1 411 619 44 TYR HE2 H 6.943 0.020 1 412 619 44 TYR C C 176.126 1.681 1 413 619 44 TYR CA C 56.767 0.200 1 414 619 44 TYR CB C 43.647 0.200 1 415 619 44 TYR CD1 C 134.118 0.200 1 416 619 44 TYR CE1 C 119.105 0.200 1 417 619 44 TYR N N 115.965 0.200 1 418 620 45 GLU H H 9.063 0.020 1 419 620 45 GLU HA H 4.950 0.002 1 420 620 45 GLU HB2 H 2.045 0.002 2 421 620 45 GLU HB3 H 1.792 0.003 2 422 620 45 GLU HG2 H 2.290 0.020 2 423 620 45 GLU HG3 H 2.207 0.004 2 424 620 45 GLU C C 175.301 0.200 1 425 620 45 GLU CA C 55.269 0.200 1 426 620 45 GLU CB C 33.012 0.200 1 427 620 45 GLU CG C 36.691 0.200 1 428 620 45 GLU N N 118.502 0.200 1 429 621 46 PHE H H 9.456 0.020 1 430 621 46 PHE HA H 5.602 0.020 1 431 621 46 PHE HB2 H 3.131 0.020 2 432 621 46 PHE HB3 H 2.806 0.020 2 433 621 46 PHE HD1 H 7.051 0.020 1 434 621 46 PHE HD2 H 7.051 0.020 1 435 621 46 PHE HE1 H 6.901 0.020 1 436 621 46 PHE HE2 H 6.901 0.020 1 437 621 46 PHE HZ H 6.310 0.020 1 438 621 46 PHE C C 174.550 0.200 1 439 621 46 PHE CA C 57.101 0.200 1 440 621 46 PHE CB C 41.959 0.200 1 441 621 46 PHE CD1 C 131.271 0.200 1 442 621 46 PHE CE1 C 131.271 0.200 1 443 621 46 PHE CZ C 129.459 0.200 1 444 621 46 PHE N N 121.585 0.200 1 445 622 47 HIS H H 9.163 0.020 1 446 622 47 HIS HA H 5.563 0.002 1 447 622 47 HIS HB2 H 2.918 0.003 2 448 622 47 HIS HB3 H 2.780 0.002 2 449 622 47 HIS HD2 H 6.677 0.020 1 450 622 47 HIS HE1 H 7.640 0.020 1 451 622 47 HIS C C 175.487 0.200 1 452 622 47 HIS CA C 55.133 0.200 1 453 622 47 HIS CB C 34.281 0.200 1 454 622 47 HIS CD2 C 118.070 0.200 1 455 622 47 HIS CE1 C 138.360 0.200 1 456 622 47 HIS N N 122.725 0.200 1 457 623 48 ILE H H 9.338 0.020 1 458 623 48 ILE HA H 5.250 0.020 1 459 623 48 ILE HB H 1.604 0.020 1 460 623 48 ILE HD1 H 0.003 0.020 1 461 623 48 ILE HG12 H 1.427 0.020 2 462 623 48 ILE HG13 H 0.828 0.020 2 463 623 48 ILE HG2 H 0.665 0.020 1 464 623 48 ILE C C 173.694 0.200 1 465 623 48 ILE CA C 59.850 0.200 1 466 623 48 ILE CB C 43.873 0.200 1 467 623 48 ILE CD1 C 13.639 0.200 1 468 623 48 ILE CG1 C 27.924 0.200 1 469 623 48 ILE CG2 C 17.441 0.200 1 470 623 48 ILE N N 121.649 0.200 1 471 624 49 ASN H H 8.771 0.020 1 472 624 49 ASN HA H 5.679 0.020 1 473 624 49 ASN HB2 H 3.500 0.020 2 474 624 49 ASN HB3 H 2.529 0.020 2 475 624 49 ASN HD21 H 7.402 0.020 2 476 624 49 ASN HD22 H 7.174 0.020 2 477 624 49 ASN C C 174.745 0.200 1 478 624 49 ASN CA C 50.204 0.200 1 479 624 49 ASN CB C 41.635 0.200 1 480 624 49 ASN N N 121.136 0.200 1 481 624 49 ASN ND2 N 110.024 0.200 1 482 625 50 VAL H H 8.576 0.020 1 483 625 50 VAL HA H 3.872 0.020 1 484 625 50 VAL HB H 1.581 0.020 1 485 625 50 VAL HG1 H 0.665 0.020 2 486 625 50 VAL HG2 H 0.660 0.020 2 487 625 50 VAL C C 174.535 0.200 1 488 625 50 VAL CA C 63.226 0.200 1 489 625 50 VAL CB C 34.163 0.068 1 490 625 50 VAL CG1 C 24.072 0.200 1 491 625 50 VAL CG2 C 21.483 0.200 1 492 625 50 VAL N N 122.736 0.200 1 493 626 51 CYS H H 8.008 0.020 1 494 626 51 CYS HA H 4.608 0.020 1 495 626 51 CYS HB2 H 4.128 0.020 2 496 626 51 CYS HB3 H 3.131 0.020 2 497 626 51 CYS C C 172.178 0.200 1 498 626 51 CYS CA C 56.582 0.200 1 499 626 51 CYS CB C 42.191 0.200 1 500 626 51 CYS N N 118.053 0.200 1 501 627 52 GLY H H 7.304 0.020 1 502 627 52 GLY HA2 H 3.763 0.020 2 503 627 52 GLY HA3 H 4.137 0.020 2 504 627 52 GLY CA C 45.103 0.200 1 505 627 52 GLY N N 104.276 0.200 1 506 628 53 PRO HA H 4.859 0.020 1 507 628 53 PRO HB2 H 2.177 0.020 2 508 628 53 PRO HB3 H 1.991 0.003 2 509 628 53 PRO HD2 H 3.528 0.020 2 510 628 53 PRO HD3 H 3.465 0.020 2 511 628 53 PRO HG2 H 2.059 0.020 2 512 628 53 PRO HG3 H 1.915 0.020 2 513 628 53 PRO C C 179.068 0.200 1 514 628 53 PRO CA C 62.445 0.200 1 515 628 53 PRO CB C 33.370 0.200 1 516 628 53 PRO CD C 49.309 0.200 1 517 628 53 PRO CG C 26.660 0.200 1 518 629 54 VAL H H 8.839 0.020 1 519 629 54 VAL HA H 4.539 0.020 1 520 629 54 VAL HB H 2.114 0.020 1 521 629 54 VAL HG1 H 0.890 0.020 2 522 629 54 VAL HG2 H 0.911 0.020 2 523 629 54 VAL C C 176.171 0.200 1 524 629 54 VAL CA C 61.090 0.200 1 525 629 54 VAL CB C 33.687 0.200 1 526 629 54 VAL CG1 C 19.188 0.200 1 527 629 54 VAL CG2 C 23.093 0.200 1 528 629 54 VAL N N 115.194 0.200 1 529 630 55 SER H H 8.589 0.020 1 530 630 55 SER HA H 4.715 0.020 1 531 630 55 SER HB2 H 4.002 0.020 2 532 630 55 SER HB3 H 3.852 0.020 2 533 630 55 SER C C 173.845 0.200 1 534 630 55 SER CA C 57.030 0.200 1 535 630 55 SER CB C 63.737 0.200 1 536 630 55 SER N N 118.599 0.200 1 537 631 56 VAL H H 7.731 0.020 1 538 631 56 VAL HA H 4.181 0.020 1 539 631 56 VAL HB H 1.605 0.020 1 540 631 56 VAL HG1 H 0.467 0.020 2 541 631 56 VAL HG2 H 0.562 0.001 2 542 631 56 VAL C C 176.396 0.200 1 543 631 56 VAL CA C 61.218 0.200 1 544 631 56 VAL CB C 35.506 0.200 1 545 631 56 VAL CG1 C 20.836 0.200 1 546 631 56 VAL CG2 C 21.038 0.200 1 547 631 56 VAL N N 121.682 0.200 1 548 632 57 GLY H H 8.606 0.020 1 549 632 57 GLY HA2 H 3.824 0.020 2 550 632 57 GLY HA3 H 3.824 0.020 2 551 632 57 GLY C C 174.594 0.032 1 552 632 57 GLY CA C 47.583 0.200 1 553 632 57 GLY N N 114.038 0.200 1 554 633 58 ALA H H 7.548 0.020 1 555 633 58 ALA HA H 4.321 0.020 1 556 633 58 ALA HB H 1.350 0.020 1 557 633 58 ALA C C 178.017 0.200 1 558 633 58 ALA CA C 52.545 0.200 1 559 633 58 ALA CB C 20.012 0.200 1 560 633 58 ALA N N 120.911 0.200 1 561 634 59 CYS H H 7.830 0.020 1 562 634 59 CYS HA H 4.304 0.020 1 563 634 59 CYS HB2 H 3.045 0.003 2 564 634 59 CYS CA C 55.457 0.200 1 565 634 59 CYS CB C 41.544 0.200 1 566 634 59 CYS N N 116.447 0.200 1 567 635 60 PRO HA H 4.767 0.004 1 568 635 60 PRO HB2 H 2.610 0.020 2 569 635 60 PRO HB3 H 1.974 0.020 2 570 635 60 PRO HD2 H 3.443 0.020 2 571 635 60 PRO HD3 H 3.972 0.020 2 572 635 60 PRO HG2 H 2.145 0.020 2 573 635 60 PRO HG3 H 2.074 0.002 2 574 635 60 PRO CA C 61.928 0.200 1 575 635 60 PRO CB C 31.514 0.200 1 576 635 60 PRO CD C 50.280 0.200 1 577 635 60 PRO CG C 28.602 0.200 1 578 636 61 PRO HA H 4.557 0.003 1 579 636 61 PRO HB2 H 2.397 0.001 2 580 636 61 PRO HB3 H 2.033 0.002 2 581 636 61 PRO HD2 H 3.848 0.020 2 582 636 61 PRO HD3 H 3.759 0.020 2 583 636 61 PRO HG2 H 2.093 0.005 2 584 636 61 PRO C C 176.216 0.200 1 585 636 61 PRO CA C 64.323 0.200 1 586 636 61 PRO CB C 32.392 0.200 1 587 636 61 PRO CD C 51.251 0.200 1 588 636 61 PRO CG C 27.512 0.200 1 589 637 62 ASP H H 8.345 0.020 1 590 637 62 ASP HA H 4.504 0.020 1 591 637 62 ASP HB2 H 2.902 0.020 2 592 637 62 ASP HB3 H 2.774 0.020 2 593 637 62 ASP C C 175.961 0.200 1 594 637 62 ASP CA C 53.711 0.200 1 595 637 62 ASP CB C 40.383 0.200 1 596 637 62 ASP N N 115.676 0.200 1 597 638 63 SER H H 7.986 0.020 1 598 638 63 SER HA H 4.583 0.020 1 599 638 63 SER HB2 H 3.786 0.020 2 600 638 63 SER C C 174.940 0.200 1 601 638 63 SER CA C 58.869 0.200 1 602 638 63 SER CB C 65.482 0.200 1 603 638 63 SER N N 116.318 0.200 1 604 639 64 GLY H H 9.507 0.020 1 605 639 64 GLY HA2 H 4.208 0.020 2 606 639 64 GLY HA3 H 2.528 0.020 2 607 639 64 GLY C C 171.608 0.200 1 608 639 64 GLY CA C 46.076 0.200 1 609 639 64 GLY N N 114.552 0.200 1 610 640 65 ALA H H 7.517 0.020 1 611 640 65 ALA HA H 5.435 0.020 1 612 640 65 ALA HB H 1.525 0.020 1 613 640 65 ALA C C 174.925 0.200 1 614 640 65 ALA CA C 51.566 0.200 1 615 640 65 ALA CB C 23.388 0.200 1 616 640 65 ALA N N 117.956 0.200 1 617 641 66 CYS H H 9.463 0.020 1 618 641 66 CYS HA H 5.391 0.020 1 619 641 66 CYS HB2 H 3.481 0.020 2 620 641 66 CYS HB3 H 3.062 0.020 2 621 641 66 CYS C C 171.773 0.200 1 622 641 66 CYS CA C 54.272 0.200 1 623 641 66 CYS CB C 47.024 0.200 1 624 641 66 CYS N N 122.838 0.200 1 625 642 67 GLN H H 8.963 0.020 1 626 642 67 GLN HA H 5.023 0.003 1 627 642 67 GLN HB2 H 1.811 0.020 2 628 642 67 GLN HB3 H 1.184 0.020 2 629 642 67 GLN HE21 H 6.421 0.020 2 630 642 67 GLN HE22 H 3.719 0.020 2 631 642 67 GLN HG2 H 2.407 0.020 2 632 642 67 GLN C C 173.664 0.200 1 633 642 67 GLN CA C 54.197 0.200 1 634 642 67 GLN CB C 33.535 0.200 1 635 642 67 GLN CG C 33.455 0.200 1 636 642 67 GLN N N 129.967 0.200 1 637 642 67 GLN NE2 N 106.283 0.200 1 638 643 68 VAL H H 9.366 0.020 1 639 643 68 VAL HA H 4.968 0.020 1 640 643 68 VAL HB H 2.148 0.002 1 641 643 68 VAL HG1 H 0.908 0.020 2 642 643 68 VAL HG2 H 0.859 0.020 2 643 643 68 VAL C C 177.102 0.200 1 644 643 68 VAL CA C 61.090 0.200 1 645 643 68 VAL CB C 35.881 0.200 1 646 643 68 VAL CG1 C 21.807 0.200 1 647 643 68 VAL CG2 C 20.836 0.200 1 648 643 68 VAL N N 126.836 0.200 1 649 644 69 SER H H 9.390 0.020 1 650 644 69 SER HA H 4.934 0.020 1 651 644 69 SER HB2 H 4.400 0.020 2 652 644 69 SER C C 176.381 0.200 1 653 644 69 SER CA C 58.369 0.200 1 654 644 69 SER CB C 64.193 0.200 1 655 644 69 SER N N 121.521 0.200 1 656 645 70 ARG H H 8.350 0.020 1 657 645 70 ARG HA H 4.140 0.020 1 658 645 70 ARG HB2 H 1.554 0.020 2 659 645 70 ARG HB3 H 2.065 0.020 2 660 645 70 ARG HD2 H 3.241 0.020 2 661 645 70 ARG HD3 H 3.066 0.020 2 662 645 70 ARG HG2 H 1.668 0.020 2 663 645 70 ARG C C 177.687 0.200 1 664 645 70 ARG CA C 59.380 0.200 1 665 645 70 ARG CB C 30.986 0.200 1 666 645 70 ARG CD C 43.955 0.200 1 667 645 70 ARG CG C 28.540 0.200 1 668 645 70 ARG N N 127.045 0.200 1 669 646 71 SER H H 8.378 0.020 1 670 646 71 SER HA H 4.387 0.020 1 671 646 71 SER HB2 H 3.950 0.020 2 672 646 71 SER HB3 H 3.950 0.020 2 673 646 71 SER C C 175.931 0.200 1 674 646 71 SER CA C 60.426 0.200 1 675 646 71 SER CB C 63.625 0.200 1 676 646 71 SER N N 112.722 0.200 1 677 647 72 ASP H H 7.670 0.020 1 678 647 72 ASP HA H 4.761 0.020 1 679 647 72 ASP HB2 H 2.982 0.020 2 680 647 72 ASP HB3 H 2.645 0.020 2 681 647 72 ASP C C 176.351 0.200 1 682 647 72 ASP CA C 53.633 0.200 1 683 647 72 ASP CB C 42.184 0.200 1 684 647 72 ASP N N 118.021 0.200 1 685 648 73 ARG H H 7.857 0.020 1 686 648 73 ARG HA H 4.128 0.020 1 687 648 73 ARG HB2 H 1.584 0.020 2 688 648 73 ARG HB3 H 1.692 0.020 2 689 648 73 ARG HD2 H 3.220 0.020 2 690 648 73 ARG HG2 H 2.075 0.020 2 691 648 73 ARG HG3 H 2.026 0.020 2 692 648 73 ARG C C 175.826 0.200 1 693 648 73 ARG CA C 57.061 0.200 1 694 648 73 ARG CB C 26.664 0.200 1 695 648 73 ARG CD C 43.031 0.200 1 696 648 73 ARG CG C 26.484 0.200 1 697 648 73 ARG N N 114.199 0.200 1 698 649 74 LYS H H 7.647 0.020 1 699 649 74 LYS HA H 4.092 0.020 1 700 649 74 LYS HB2 H 1.599 0.020 2 701 649 74 LYS HB3 H 1.281 0.020 2 702 649 74 LYS HD2 H 1.712 0.020 2 703 649 74 LYS HE2 H 3.038 0.020 2 704 649 74 LYS HE3 H 2.939 0.001 2 705 649 74 LYS HG2 H 1.170 0.020 2 706 649 74 LYS HG3 H 1.025 0.020 2 707 649 74 LYS C C 174.775 0.200 1 708 649 74 LYS CA C 57.191 0.200 1 709 649 74 LYS CB C 33.968 0.200 1 710 649 74 LYS CD C 29.362 0.200 1 711 649 74 LYS CE C 42.799 0.039 1 712 649 74 LYS CG C 25.663 0.200 1 713 649 74 LYS N N 120.782 0.200 1 714 650 75 SER H H 7.613 0.020 1 715 650 75 SER HA H 5.680 0.002 1 716 650 75 SER HB2 H 3.781 0.001 2 717 650 75 SER HB3 H 3.702 0.002 2 718 650 75 SER C C 173.424 0.200 1 719 650 75 SER CA C 56.162 0.200 1 720 650 75 SER CB C 68.425 0.200 1 721 650 75 SER N N 114.135 0.200 1 722 651 76 TRP H H 9.200 0.020 1 723 651 76 TRP HA H 4.720 0.020 1 724 651 76 TRP HB2 H 3.105 0.020 2 725 651 76 TRP HB3 H 2.736 0.020 2 726 651 76 TRP HD1 H 6.997 0.020 1 727 651 76 TRP HE1 H 9.976 0.020 1 728 651 76 TRP HE3 H 7.425 0.020 1 729 651 76 TRP HH2 H 7.364 0.020 1 730 651 76 TRP HZ2 H 7.509 0.020 1 731 651 76 TRP HZ3 H 6.839 0.020 1 732 651 76 TRP C C 174.430 0.200 1 733 651 76 TRP CA C 58.693 0.200 1 734 651 76 TRP CB C 33.405 0.200 1 735 651 76 TRP CD1 C 126.094 0.200 1 736 651 76 TRP CE3 C 121.435 0.200 1 737 651 76 TRP CH2 C 124.282 0.200 1 738 651 76 TRP CZ2 C 114.446 0.200 1 739 651 76 TRP CZ3 C 121.435 0.200 1 740 651 76 TRP N N 118.727 0.200 1 741 651 76 TRP NE1 N 129.148 0.200 1 742 652 77 ASN H H 8.777 0.020 1 743 652 77 ASN HA H 4.917 0.020 1 744 652 77 ASN HB2 H 3.500 0.020 2 745 652 77 ASN HB3 H 2.681 0.020 2 746 652 77 ASN HD21 H 7.609 0.020 2 747 652 77 ASN HD22 H 6.287 0.020 2 748 652 77 ASN C C 175.766 0.200 1 749 652 77 ASN CA C 53.226 0.200 1 750 652 77 ASN CB C 39.201 0.200 1 751 652 77 ASN N N 122.067 0.200 1 752 652 77 ASN ND2 N 109.510 0.200 1 753 653 78 LEU H H 9.034 0.020 1 754 653 78 LEU HA H 4.250 0.020 1 755 653 78 LEU HB2 H 1.646 0.020 2 756 653 78 LEU HB3 H 1.431 0.020 2 757 653 78 LEU HD1 H 0.244 0.020 2 758 653 78 LEU HD2 H 0.604 0.020 2 759 653 78 LEU HG H 1.346 0.020 1 760 653 78 LEU C C 178.918 0.200 1 761 653 78 LEU CA C 54.104 0.024 1 762 653 78 LEU CB C 40.897 0.200 1 763 653 78 LEU CD1 C 22.477 0.200 1 764 653 78 LEU CD2 C 24.840 0.200 1 765 653 78 LEU CG C 27.307 0.200 1 766 653 78 LEU N N 127.526 0.200 1 767 654 79 GLY H H 8.062 0.020 1 768 654 79 GLY HA2 H 3.084 0.020 2 769 654 79 GLY HA3 H 4.398 0.020 2 770 654 79 GLY C C 173.094 0.200 1 771 654 79 GLY CA C 44.952 0.200 1 772 654 79 GLY N N 106.299 0.200 1 773 655 80 ARG H H 8.926 0.020 1 774 655 80 ARG HA H 4.579 0.002 1 775 655 80 ARG HB2 H 1.985 0.020 2 776 655 80 ARG HB3 H 1.898 0.020 2 777 655 80 ARG HD2 H 3.399 0.020 2 778 655 80 ARG HE H 7.407 0.020 1 779 655 80 ARG HG2 H 1.871 0.020 2 780 655 80 ARG HG3 H 1.871 0.020 2 781 655 80 ARG C C 177.417 0.200 1 782 655 80 ARG CA C 56.698 0.200 1 783 655 80 ARG CB C 31.210 0.200 1 784 655 80 ARG CD C 44.572 0.200 1 785 655 80 ARG CG C 28.602 0.200 1 786 655 80 ARG N N 125.953 0.200 1 787 655 80 ARG NE N 86.500 0.200 1 788 656 81 SER H H 8.061 0.020 1 789 656 81 SER HA H 2.916 0.020 1 790 656 81 SER HB2 H 3.166 0.020 2 791 656 81 SER HB3 H 3.108 0.020 2 792 656 81 SER C C 173.379 0.200 1 793 656 81 SER CA C 60.018 0.200 1 794 656 81 SER CB C 64.116 0.200 1 795 656 81 SER N N 118.181 0.200 1 796 657 82 ASN H H 7.288 0.020 1 797 657 82 ASN HA H 4.716 0.020 1 798 657 82 ASN HB2 H 3.196 0.020 2 799 657 82 ASN HB3 H 3.014 0.020 2 800 657 82 ASN HD21 H 8.091 0.020 2 801 657 82 ASN HD22 H 7.872 0.020 2 802 657 82 ASN C C 171.938 0.200 1 803 657 82 ASN CA C 53.787 0.200 1 804 657 82 ASN CB C 41.509 0.200 1 805 657 82 ASN N N 115.789 0.200 1 806 657 82 ASN ND2 N 117.844 0.200 1 807 658 83 ALA H H 8.882 0.020 1 808 658 83 ALA HA H 5.097 0.020 1 809 658 83 ALA HB H 1.570 0.020 1 810 658 83 ALA C C 177.162 0.200 1 811 658 83 ALA CA C 50.774 0.200 1 812 658 83 ALA CB C 20.189 0.200 1 813 658 83 ALA N N 121.489 0.200 1 814 659 84 LYS H H 8.383 0.020 1 815 659 84 LYS HA H 4.811 0.020 1 816 659 84 LYS HB2 H 1.951 0.020 2 817 659 84 LYS HB3 H 1.854 0.001 2 818 659 84 LYS HD2 H 1.652 0.020 2 819 659 84 LYS HD3 H 1.589 0.020 2 820 659 84 LYS HE2 H 3.146 0.001 2 821 659 84 LYS HE3 H 3.146 0.001 2 822 659 84 LYS HG2 H 1.701 0.020 2 823 659 84 LYS C C 175.841 0.200 1 824 659 84 LYS CA C 56.034 0.200 1 825 659 84 LYS CB C 31.779 0.019 1 826 659 84 LYS CD C 25.042 0.200 1 827 659 84 LYS CE C 42.838 0.200 1 828 659 84 LYS N N 122.227 0.200 1 829 660 85 LEU H H 7.814 0.020 1 830 660 85 LEU HA H 4.811 0.020 1 831 660 85 LEU HB2 H 1.245 0.020 2 832 660 85 LEU HB3 H 1.485 0.020 2 833 660 85 LEU HD1 H 0.673 0.020 2 834 660 85 LEU HD2 H 0.559 0.020 2 835 660 85 LEU HG H 1.475 0.020 1 836 660 85 LEU C C 176.411 0.200 1 837 660 85 LEU CA C 54.451 0.200 1 838 660 85 LEU CB C 44.604 0.200 1 839 660 85 LEU CD1 C 24.072 0.200 1 840 660 85 LEU CD2 C 26.074 0.200 1 841 660 85 LEU CG C 27.307 0.200 1 842 660 85 LEU N N 125.310 0.200 1 843 661 86 SER H H 8.787 0.020 1 844 661 86 SER HA H 5.436 0.020 1 845 661 86 SER HB2 H 3.887 0.020 2 846 661 86 SER C C 173.184 0.200 1 847 661 86 SER CA C 57.516 0.200 1 848 661 86 SER CB C 66.551 0.200 1 849 661 86 SER N N 115.387 0.200 1 850 662 87 TYR H H 9.102 0.020 1 851 662 87 TYR HA H 5.492 0.020 1 852 662 87 TYR HB2 H 2.703 0.020 2 853 662 87 TYR HB3 H 2.933 0.020 2 854 662 87 TYR HD1 H 6.841 0.020 1 855 662 87 TYR HD2 H 6.841 0.020 1 856 662 87 TYR HE1 H 6.622 0.001 1 857 662 87 TYR HE2 H 6.622 0.001 1 858 662 87 TYR C C 174.595 0.200 1 859 662 87 TYR CA C 56.826 0.200 1 860 662 87 TYR CB C 42.747 0.200 1 861 662 87 TYR CD1 C 133.859 0.200 1 862 662 87 TYR CE1 C 118.070 0.200 1 863 662 87 TYR N N 124.732 0.200 1 864 663 88 TYR H H 8.228 0.020 1 865 663 88 TYR HA H 4.425 0.020 1 866 663 88 TYR HB2 H 2.901 0.020 2 867 663 88 TYR HB3 H 2.738 0.020 2 868 663 88 TYR HD1 H 6.968 0.006 1 869 663 88 TYR HD2 H 6.968 0.006 1 870 663 88 TYR C C 175.556 0.200 1 871 663 88 TYR CA C 58.046 0.200 1 872 663 88 TYR CB C 40.897 0.200 1 873 663 88 TYR CD1 C 133.600 0.200 1 874 663 88 TYR N N 126.852 0.200 1 875 664 89 ASP H H 8.708 0.020 1 876 664 89 ASP HA H 4.059 0.020 1 877 664 89 ASP HB2 H 1.677 0.020 2 878 664 89 ASP HB3 H 2.700 0.020 2 879 664 89 ASP C C 175.364 0.200 1 880 664 89 ASP CA C 55.197 0.200 1 881 664 89 ASP CB C 43.084 0.200 1 882 664 89 ASP N N 125.551 0.200 1 883 665 90 GLY H H 6.821 0.020 1 884 665 90 GLY HA2 H 3.710 0.020 2 885 665 90 GLY HA3 H 4.205 0.020 2 886 665 90 GLY C C 173.770 0.200 1 887 665 90 GLY CA C 45.796 0.200 1 888 665 90 GLY N N 101.158 0.200 1 889 666 91 MET H H 7.781 0.020 1 890 666 91 MET HA H 4.846 0.001 1 891 666 91 MET HB2 H 2.099 0.020 2 892 666 91 MET HB3 H 1.781 0.001 2 893 666 91 MET HE H 2.033 0.020 1 894 666 91 MET HG2 H 2.387 0.020 2 895 666 91 MET C C 173.980 0.200 1 896 666 91 MET CA C 54.630 0.200 1 897 666 91 MET CB C 35.938 0.200 1 898 666 91 MET CE C 17.600 0.200 1 899 666 91 MET CG C 31.837 0.200 1 900 666 91 MET N N 120.365 0.200 1 901 667 92 ILE H H 8.111 0.020 1 902 667 92 ILE HA H 5.250 0.002 1 903 667 92 ILE HB H 1.678 0.020 1 904 667 92 ILE HD1 H 0.083 0.020 1 905 667 92 ILE HG12 H 1.398 0.001 2 906 667 92 ILE HG13 H 0.628 0.020 2 907 667 92 ILE HG2 H 0.831 0.001 1 908 667 92 ILE C C 175.676 0.200 1 909 667 92 ILE CA C 59.839 0.200 1 910 667 92 ILE CB C 40.655 0.200 1 911 667 92 ILE CD1 C 13.742 0.200 1 912 667 92 ILE CG1 C 29.197 0.086 1 913 667 92 ILE CG2 C 20.113 0.200 1 914 667 92 ILE N N 121.441 0.200 1 915 668 93 GLN H H 9.254 0.020 1 916 668 93 GLN HA H 5.880 0.020 1 917 668 93 GLN HB2 H 1.926 0.020 2 918 668 93 GLN HB3 H 1.926 0.020 2 919 668 93 GLN HE21 H 7.315 0.020 2 920 668 93 GLN HE22 H 6.869 0.020 2 921 668 93 GLN HG2 H 2.474 0.020 2 922 668 93 GLN HG3 H 2.228 0.020 2 923 668 93 GLN C C 175.180 0.200 1 924 668 93 GLN CA C 54.706 0.200 1 925 668 93 GLN CB C 34.137 0.200 1 926 668 93 GLN CG C 35.396 0.200 1 927 668 93 GLN N N 124.411 0.200 1 928 668 93 GLN NE2 N 112.963 0.200 1 929 669 94 LEU H H 8.635 0.020 1 930 669 94 LEU HA H 4.758 0.020 1 931 669 94 LEU HB2 H 1.586 0.020 2 932 669 94 LEU HB3 H 1.426 0.020 2 933 669 94 LEU HD1 H 1.083 0.020 2 934 669 94 LEU HD2 H 1.068 0.020 2 935 669 94 LEU HG H 1.348 0.020 1 936 669 94 LEU C C 174.445 0.200 1 937 669 94 LEU CA C 54.425 0.200 1 938 669 94 LEU CB C 48.487 0.200 1 939 669 94 LEU CD1 C 24.395 0.200 1 940 669 94 LEU CD2 C 26.999 0.200 1 941 669 94 LEU CG C 27.631 0.200 1 942 669 94 LEU N N 124.700 0.200 1 943 670 95 THR H H 9.192 0.020 1 944 670 95 THR HA H 5.433 0.020 1 945 670 95 THR HB H 4.028 0.020 1 946 670 95 THR HG2 H 1.167 0.020 1 947 670 95 THR C C 174.220 0.200 1 948 670 95 THR CA C 60.784 0.200 1 949 670 95 THR CB C 71.391 0.200 1 950 670 95 THR CG2 C 20.935 0.200 1 951 670 95 THR N N 119.819 0.200 1 952 671 96 TYR H H 9.346 0.020 1 953 671 96 TYR HA H 5.266 0.002 1 954 671 96 TYR HB2 H 2.933 0.020 2 955 671 96 TYR HB3 H 3.025 0.020 2 956 671 96 TYR HD1 H 6.974 0.020 1 957 671 96 TYR HD2 H 6.974 0.020 1 958 671 96 TYR HE1 H 7.246 0.020 1 959 671 96 TYR HE2 H 7.246 0.020 1 960 671 96 TYR HH H 9.595 0.020 1 961 671 96 TYR C C 175.270 0.200 1 962 671 96 TYR CA C 53.353 0.200 1 963 671 96 TYR CB C 39.314 0.200 1 964 671 96 TYR CD1 C 131.530 0.200 1 965 671 96 TYR CE1 C 117.552 0.200 1 966 671 96 TYR N N 127.950 0.200 1 967 672 97 ARG H H 8.969 0.020 1 968 672 97 ARG HA H 5.156 0.020 1 969 672 97 ARG HB2 H 2.062 0.020 2 970 672 97 ARG HB3 H 1.849 0.020 2 971 672 97 ARG HD2 H 3.314 0.020 2 972 672 97 ARG HG2 H 1.731 0.020 2 973 672 97 ARG C C 176.291 0.200 1 974 672 97 ARG CA C 55.217 0.200 1 975 672 97 ARG CB C 34.362 0.200 1 976 672 97 ARG CD C 43.955 0.200 1 977 672 97 ARG CG C 28.643 0.200 1 978 672 97 ARG N N 121.810 0.200 1 979 673 98 ASP H H 9.284 0.020 1 980 673 98 ASP HA H 4.380 0.020 1 981 673 98 ASP HB2 H 3.094 0.020 2 982 673 98 ASP HB3 H 2.932 0.020 2 983 673 98 ASP C C 176.000 0.200 1 984 673 98 ASP CA C 56.673 0.200 1 985 673 98 ASP CB C 39.539 0.200 1 986 673 98 ASP N N 115.275 0.200 1 987 674 99 GLY H H 8.545 0.020 1 988 674 99 GLY HA2 H 4.032 0.020 2 989 674 99 GLY HA3 H 3.477 0.020 2 990 674 99 GLY C C 173.244 0.200 1 991 674 99 GLY CA C 44.007 0.200 1 992 674 99 GLY N N 104.886 0.200 1 993 675 100 THR H H 9.568 0.020 1 994 675 100 THR HA H 4.542 0.004 1 995 675 100 THR HB H 4.164 0.020 1 996 675 100 THR HG2 H 1.767 0.020 1 997 675 100 THR CA C 63.223 0.200 1 998 675 100 THR CB C 71.635 0.200 1 999 675 100 THR CG2 C 22.454 0.200 1 1000 675 100 THR N N 119.337 0.200 1 1001 676 101 PRO HA H 4.733 0.020 1 1002 676 101 PRO HB2 H 2.314 0.002 2 1003 676 101 PRO HB3 H 1.927 0.020 2 1004 676 101 PRO HD2 H 3.897 0.003 2 1005 676 101 PRO HD3 H 4.238 0.005 2 1006 676 101 PRO HG2 H 2.230 0.020 2 1007 676 101 PRO HG3 H 2.064 0.020 2 1008 676 101 PRO C C 174.865 3.032 1 1009 676 101 PRO CA C 63.663 0.200 1 1010 676 101 PRO CB C 32.842 0.200 1 1011 676 101 PRO CD C 52.221 0.200 1 1012 676 101 PRO CG C 28.278 0.200 1 1013 677 102 TYR H H 8.800 0.020 1 1014 677 102 TYR HA H 4.400 0.020 1 1015 677 102 TYR HB2 H 3.047 0.020 2 1016 677 102 TYR HB3 H 2.906 0.020 2 1017 677 102 TYR HD1 H 7.260 0.020 1 1018 677 102 TYR HD2 H 7.260 0.020 1 1019 677 102 TYR HE1 H 6.836 0.020 1 1020 677 102 TYR HE2 H 6.836 0.020 1 1021 677 102 TYR C C 177.306 0.200 1 1022 677 102 TYR CA C 59.663 0.200 1 1023 677 102 TYR CD1 C 133.342 0.200 1 1024 677 102 TYR CE1 C 119.105 0.200 1 1025 677 102 TYR N N 123.012 0.200 1 1026 678 103 ASN H H 8.782 0.020 1 1027 678 103 ASN HA H 4.968 0.020 1 1028 678 103 ASN HB2 H 3.046 0.020 2 1029 678 103 ASN HB3 H 2.875 0.020 2 1030 678 103 ASN HD21 H 7.643 0.020 2 1031 678 103 ASN HD22 H 6.951 0.020 2 1032 678 103 ASN C C 175.120 0.200 1 1033 678 103 ASN CA C 53.225 0.200 1 1034 678 103 ASN CB C 37.795 0.200 1 1035 678 103 ASN N N 121.955 0.200 1 1036 678 103 ASN ND2 N 112.706 0.200 1 1037 679 104 ASN H H 7.955 0.020 1 1038 679 104 ASN HA H 4.858 0.020 1 1039 679 104 ASN HB2 H 3.235 0.020 2 1040 679 104 ASN HB3 H 3.020 0.020 2 1041 679 104 ASN HD21 H 7.515 0.020 2 1042 679 104 ASN HD22 H 6.873 0.020 2 1043 679 104 ASN C C 176.276 0.200 1 1044 679 104 ASN CA C 52.357 0.200 1 1045 679 104 ASN CB C 39.296 0.200 1 1046 679 104 ASN N N 117.699 0.200 1 1047 679 104 ASN ND2 N 110.955 0.200 1 1048 680 105 GLU H H 8.824 0.020 1 1049 680 105 GLU HA H 4.197 0.020 1 1050 680 105 GLU HB2 H 2.137 0.020 2 1051 680 105 GLU HB3 H 2.137 0.020 2 1052 680 105 GLU HG2 H 2.408 0.020 2 1053 680 105 GLU HG3 H 2.359 0.020 2 1054 680 105 GLU C C 177.747 0.200 1 1055 680 105 GLU CA C 59.660 0.200 1 1056 680 105 GLU CB C 29.972 0.200 1 1057 680 105 GLU CG C 36.864 0.200 1 1058 680 105 GLU N N 120.670 0.200 1 1059 681 106 LYS H H 7.841 0.020 1 1060 681 106 LYS HA H 4.330 0.020 1 1061 681 106 LYS HB2 H 1.991 0.020 2 1062 681 106 LYS HB3 H 1.755 0.001 2 1063 681 106 LYS HE2 H 3.056 0.020 2 1064 681 106 LYS HG2 H 1.505 0.020 2 1065 681 106 LYS HG3 H 1.472 0.002 2 1066 681 106 LYS C C 176.306 0.200 1 1067 681 106 LYS CA C 56.775 0.200 1 1068 681 106 LYS CB C 33.012 0.200 1 1069 681 106 LYS CE C 42.938 0.200 1 1070 681 106 LYS N N 116.993 0.200 1 1071 682 107 ARG H H 7.992 0.020 1 1072 682 107 ARG HA H 4.462 0.020 1 1073 682 107 ARG HB2 H 2.034 0.020 2 1074 682 107 ARG HB3 H 1.941 0.020 2 1075 682 107 ARG HD2 H 3.282 0.020 2 1076 682 107 ARG HG2 H 1.761 0.020 2 1077 682 107 ARG C C 176.201 0.200 1 1078 682 107 ARG CA C 56.187 0.200 1 1079 682 107 ARG CB C 28.903 0.200 1 1080 682 107 ARG CD C 43.853 0.200 1 1081 682 107 ARG CG C 27.512 0.200 1 1082 682 107 ARG N N 118.888 0.200 1 1083 683 108 THR H H 8.142 0.020 1 1084 683 108 THR HA H 4.432 0.005 1 1085 683 108 THR HB H 4.153 0.020 1 1086 683 108 THR HG2 H 1.459 0.020 1 1087 683 108 THR CA C 61.928 0.200 1 1088 683 108 THR CB C 70.665 0.200 1 1089 683 108 THR CG2 C 22.130 0.200 1 1090 683 108 THR N N 116.800 0.200 1 1091 684 109 PRO HA H 4.276 0.002 1 1092 684 109 PRO HB2 H 2.647 0.020 2 1093 684 109 PRO HB3 H 2.107 0.020 2 1094 684 109 PRO HD2 H 4.304 0.006 2 1095 684 109 PRO HD3 H 3.843 0.002 2 1096 684 109 PRO HG2 H 2.391 0.020 2 1097 684 109 PRO HG3 H 2.147 0.020 2 1098 684 109 PRO C C 176.937 0.200 1 1099 684 109 PRO CA C 63.968 0.200 1 1100 684 109 PRO CB C 33.267 0.200 1 1101 684 109 PRO CD C 51.898 0.200 1 1102 684 109 PRO CG C 28.278 0.200 1 1103 685 110 ARG H H 6.612 0.020 1 1104 685 110 ARG HA H 4.574 0.020 1 1105 685 110 ARG HB2 H 1.894 0.020 2 1106 685 110 ARG HB3 H 1.762 0.020 2 1107 685 110 ARG HD2 H 3.135 0.020 2 1108 685 110 ARG HD3 H 3.007 0.020 2 1109 685 110 ARG HE H 7.221 0.020 1 1110 685 110 ARG HG2 H 1.839 0.020 2 1111 685 110 ARG HG3 H 1.839 0.020 2 1112 685 110 ARG C C 174.040 0.200 1 1113 685 110 ARG CA C 58.000 0.200 1 1114 685 110 ARG CB C 33.124 0.200 1 1115 685 110 ARG CD C 44.161 0.200 1 1116 685 110 ARG N N 121.955 0.200 1 1117 685 110 ARG NE N 84.188 0.200 1 1118 686 111 ALA H H 8.130 0.020 1 1119 686 111 ALA HA H 5.485 0.020 1 1120 686 111 ALA HB H 1.636 0.020 1 1121 686 111 ALA C C 177.372 0.200 1 1122 686 111 ALA CA C 51.464 0.200 1 1123 686 111 ALA CB C 24.007 0.200 1 1124 686 111 ALA N N 120.847 0.200 1 1125 687 112 THR H H 9.491 0.020 1 1126 687 112 THR HA H 5.416 0.020 1 1127 687 112 THR HB H 3.929 0.020 1 1128 687 112 THR HG2 H 1.206 0.020 1 1129 687 112 THR C C 172.479 0.200 1 1130 687 112 THR CA C 63.133 0.200 1 1131 687 112 THR CB C 73.247 0.200 1 1132 687 112 THR CG2 C 21.655 0.200 1 1133 687 112 THR N N 116.559 0.200 1 1134 688 113 LEU H H 9.179 0.020 1 1135 688 113 LEU HA H 5.211 0.001 1 1136 688 113 LEU HB2 H 1.991 0.020 2 1137 688 113 LEU HB3 H 1.223 0.002 2 1138 688 113 LEU HD1 H 0.825 0.020 2 1139 688 113 LEU HD2 H 0.813 0.020 2 1140 688 113 LEU HG H 1.424 0.020 1 1141 688 113 LEU C C 175.601 0.200 1 1142 688 113 LEU CA C 54.170 0.200 1 1143 688 113 LEU CB C 45.392 0.200 1 1144 688 113 LEU CD1 C 26.074 0.200 1 1145 688 113 LEU CD2 C 24.327 0.200 1 1146 688 113 LEU CG C 28.278 0.200 1 1147 688 113 LEU N N 129.389 0.200 1 1148 689 114 ILE H H 9.177 0.020 1 1149 689 114 ILE HA H 4.677 0.020 1 1150 689 114 ILE HB H 1.435 0.003 1 1151 689 114 ILE HD1 H 0.634 0.020 1 1152 689 114 ILE HG12 H 1.458 0.020 2 1153 689 114 ILE HG13 H 0.555 0.003 2 1154 689 114 ILE HG2 H 0.018 0.004 1 1155 689 114 ILE C C 174.925 0.200 1 1156 689 114 ILE CA C 60.834 0.200 1 1157 689 114 ILE CB C 40.125 0.200 1 1158 689 114 ILE CD1 C 14.825 0.200 1 1159 689 114 ILE CG1 C 28.144 0.047 1 1160 689 114 ILE CG2 C 18.571 0.200 1 1161 689 114 ILE N N 127.655 0.200 1 1162 690 115 THR H H 8.173 0.020 1 1163 690 115 THR HA H 4.801 0.020 1 1164 690 115 THR HB H 3.914 0.020 1 1165 690 115 THR HG2 H 1.146 0.020 1 1166 690 115 THR C C 172.764 0.200 1 1167 690 115 THR CA C 62.366 0.200 1 1168 690 115 THR CB C 70.715 0.200 1 1169 690 115 THR CG2 C 22.580 0.200 1 1170 690 115 THR N N 122.725 0.200 1 1171 691 116 PHE H H 9.755 0.020 1 1172 691 116 PHE HA H 5.497 0.020 1 1173 691 116 PHE HB2 H 2.503 0.020 2 1174 691 116 PHE HB3 H 2.816 0.020 2 1175 691 116 PHE HD1 H 6.616 0.020 1 1176 691 116 PHE HD2 H 6.616 0.020 1 1177 691 116 PHE HE1 H 6.095 0.020 1 1178 691 116 PHE HE2 H 6.095 0.020 1 1179 691 116 PHE HZ H 6.488 0.020 1 1180 691 116 PHE C C 174.880 0.200 1 1181 691 116 PHE CA C 56.417 0.200 1 1182 691 116 PHE CB C 40.383 0.200 1 1183 691 116 PHE CD1 C 132.565 0.200 1 1184 691 116 PHE CE1 C 130.494 0.200 1 1185 691 116 PHE CZ C 128.941 0.200 1 1186 691 116 PHE N N 126.820 0.200 1 1187 692 117 LEU H H 8.193 0.020 1 1188 692 117 LEU HA H 4.860 0.020 1 1189 692 117 LEU HB2 H 1.486 0.020 2 1190 692 117 LEU HB3 H 1.033 0.020 2 1191 692 117 LEU HD1 H 0.868 0.020 2 1192 692 117 LEU HD2 H 0.517 0.020 2 1193 692 117 LEU HG H 1.294 0.004 1 1194 692 117 LEU C C 176.351 0.200 1 1195 692 117 LEU CA C 52.945 0.200 1 1196 692 117 LEU CB C 46.573 0.200 1 1197 692 117 LEU CD1 C 25.000 0.200 1 1198 692 117 LEU CD2 C 26.013 0.200 1 1199 692 117 LEU CG C 27.631 0.200 1 1200 692 117 LEU N N 121.425 0.200 1 1201 693 118 CYS H H 9.083 0.020 1 1202 693 118 CYS HA H 4.595 0.020 1 1203 693 118 CYS HB2 H 3.364 0.020 2 1204 693 118 CYS HB3 H 2.872 0.020 2 1205 693 118 CYS C C 175.961 0.200 1 1206 693 118 CYS CA C 57.030 0.200 1 1207 693 118 CYS CB C 39.370 0.200 1 1208 693 118 CYS N N 119.112 0.200 1 1209 694 119 ASP H H 7.137 0.020 1 1210 694 119 ASP HA H 4.398 0.020 1 1211 694 119 ASP HB2 H 2.873 0.020 2 1212 694 119 ASP HB3 H 2.792 0.020 2 1213 694 119 ASP C C 174.085 0.200 1 1214 694 119 ASP CA C 57.724 0.200 1 1215 694 119 ASP CB C 40.721 0.200 1 1216 694 119 ASP N N 128.120 0.200 1 1217 695 120 ARG H H 8.700 0.020 1 1218 695 120 ARG HA H 4.059 0.020 1 1219 695 120 ARG HB2 H 2.700 0.020 2 1220 695 120 ARG HB3 H 1.678 0.020 2 1221 695 120 ARG C C 176.150 0.200 1 1222 695 120 ARG CA C 55.185 0.200 1 1223 695 120 ARG CB C 33.050 0.200 1 1224 695 120 ARG N N 125.567 0.200 1 1225 696 121 ASP H H 8.854 0.020 1 1226 696 121 ASP C C 175.364 0.200 1 1227 696 121 ASP N N 120.670 0.200 1 1228 697 122 ALA H H 6.760 0.020 1 1229 697 122 ALA C C 175.641 0.200 1 1230 697 122 ALA N N 134.029 0.200 1 1231 698 123 GLY H H 8.072 0.020 1 1232 698 123 GLY HA2 H 4.256 0.020 2 1233 698 123 GLY HA3 H 3.916 0.020 2 1234 698 123 GLY C C 176.276 0.200 1 1235 698 123 GLY CA C 45.942 0.200 1 1236 698 123 GLY N N 106.347 0.200 1 1237 699 124 VAL H H 9.127 0.020 1 1238 699 124 VAL HA H 3.892 0.020 1 1239 699 124 VAL HB H 2.526 0.020 1 1240 699 124 VAL HG1 H 1.633 0.020 2 1241 699 124 VAL HG2 H 1.454 0.020 2 1242 699 124 VAL C C 177.297 0.200 1 1243 699 124 VAL CA C 67.934 0.200 1 1244 699 124 VAL CB C 33.462 0.200 1 1245 699 124 VAL CG1 C 21.757 0.200 1 1246 699 124 VAL CG2 C 23.425 0.200 1 1247 699 124 VAL N N 128.072 0.200 1 1248 700 125 GLY H H 7.989 0.020 1 1249 700 125 GLY HA2 H 4.965 0.020 2 1250 700 125 GLY HA3 H 4.055 0.020 2 1251 700 125 GLY C C 172.058 0.200 1 1252 700 125 GLY CA C 45.284 0.200 1 1253 700 125 GLY N N 104.372 0.200 1 1254 701 126 PHE H H 7.890 0.020 1 1255 701 126 PHE HA H 4.300 0.020 1 1256 701 126 PHE HB2 H 3.034 0.020 2 1257 701 126 PHE HZ H 7.547 0.020 1 1258 701 126 PHE CZ C 131.789 0.200 1 1259 701 126 PHE N N 117.575 0.049 1 1260 702 127 PRO HA H 4.053 0.020 1 1261 702 127 PRO HB2 H 1.305 0.020 2 1262 702 127 PRO HB3 H 1.624 0.020 2 1263 702 127 PRO HD2 H 2.352 0.003 2 1264 702 127 PRO HD3 H 0.856 0.004 2 1265 702 127 PRO HG2 H 1.353 0.020 2 1266 702 127 PRO HG3 H 0.687 0.020 2 1267 702 127 PRO C C 175.316 0.200 1 1268 702 127 PRO CA C 62.089 0.200 1 1269 702 127 PRO CB C 32.280 0.200 1 1270 702 127 PRO CD C 48.339 0.200 1 1271 702 127 PRO CG C 26.013 0.200 1 1272 703 128 GLU H H 8.994 0.020 1 1273 703 128 GLU HA H 4.836 0.020 1 1274 703 128 GLU HB2 H 2.165 0.020 2 1275 703 128 GLU HB3 H 2.029 0.020 2 1276 703 128 GLU HG2 H 2.363 0.020 2 1277 703 128 GLU C C 176.892 0.200 1 1278 703 128 GLU CA C 54.834 0.200 1 1279 703 128 GLU CB C 33.574 0.200 1 1280 703 128 GLU CG C 37.378 0.200 1 1281 703 128 GLU N N 117.571 0.200 1 1282 704 129 TYR H H 9.126 0.020 1 1283 704 129 TYR HA H 4.059 0.020 1 1284 704 129 TYR HB2 H 2.779 0.020 2 1285 704 129 TYR HB3 H 2.674 0.020 2 1286 704 129 TYR HD1 H 6.233 0.020 1 1287 704 129 TYR HD2 H 6.233 0.020 1 1288 704 129 TYR HE1 H 6.512 0.021 1 1289 704 129 TYR HE2 H 6.512 0.021 1 1290 704 129 TYR C C 175.015 0.200 1 1291 704 129 TYR CA C 58.383 0.200 1 1292 704 129 TYR CB C 38.977 0.200 1 1293 704 129 TYR CD1 C 132.824 0.200 1 1294 704 129 TYR CE1 C 118.329 0.200 1 1295 704 129 TYR N N 126.659 0.200 1 1296 705 130 GLN H H 7.841 0.020 1 1297 705 130 GLN HA H 4.261 0.020 1 1298 705 130 GLN HB2 H 1.889 0.020 2 1299 705 130 GLN HB3 H 1.498 0.020 2 1300 705 130 GLN HE21 H 6.978 0.020 2 1301 705 130 GLN HE22 H 6.693 0.020 2 1302 705 130 GLN HG2 H 2.024 0.020 2 1303 705 130 GLN HG3 H 2.024 0.020 2 1304 705 130 GLN C C 173.724 0.200 1 1305 705 130 GLN CA C 55.781 0.200 1 1306 705 130 GLN CB C 30.543 0.200 1 1307 705 130 GLN CG C 34.426 0.200 1 1308 705 130 GLN N N 128.120 0.200 1 1309 705 130 GLN NE2 N 111.630 0.200 1 1310 706 131 GLU H H 7.959 0.020 1 1311 706 131 GLU HA H 3.838 0.020 1 1312 706 131 GLU HB2 H 2.135 0.020 2 1313 706 131 GLU HB3 H 1.924 0.020 2 1314 706 131 GLU CA C 57.075 0.200 1 1315 706 131 GLU CB C 30.543 0.200 1 1316 706 131 GLU N N 122.982 0.200 1 1317 707 132 GLU HA H 4.246 0.020 1 1318 707 132 GLU HB2 H 1.978 0.020 2 1319 707 132 GLU HG2 H 2.251 0.020 2 1320 707 132 GLU C C 176.426 0.200 1 1321 707 132 GLU CA C 57.217 0.200 1 1322 707 132 GLU CB C 30.874 0.200 1 1323 707 132 GLU CG C 36.762 0.200 1 1324 708 133 ASP H H 8.183 0.020 1 1325 708 133 ASP N N 120.686 0.200 1 1326 709 134 ASN HA H 4.371 0.020 1 1327 709 134 ASN HB2 H 2.985 0.020 2 1328 709 134 ASN HB3 H 2.679 0.020 2 1329 709 134 ASN HD21 H 7.591 0.020 2 1330 709 134 ASN HD22 H 6.780 0.020 2 1331 709 134 ASN C C 175.255 0.200 1 1332 709 134 ASN CA C 54.679 0.200 1 1333 709 134 ASN CB C 38.470 0.200 1 1334 709 134 ASN ND2 N 113.219 0.200 1 1335 710 135 SER H H 8.573 0.020 1 1336 710 135 SER HA H 4.210 0.020 1 1337 710 135 SER HB2 H 3.981 0.020 2 1338 710 135 SER C C 173.229 0.200 1 1339 710 135 SER CA C 60.350 0.200 1 1340 710 135 SER CB C 63.681 0.200 1 1341 710 135 SER N N 111.678 0.200 1 1342 711 136 THR H H 7.751 0.020 1 1343 711 136 THR HA H 5.048 0.020 1 1344 711 136 THR HB H 4.091 0.020 1 1345 711 136 THR HG2 H 1.117 0.020 1 1346 711 136 THR C C 173.349 0.200 1 1347 711 136 THR CA C 61.856 0.200 1 1348 711 136 THR CB C 71.278 0.200 1 1349 711 136 THR CG2 C 22.477 0.200 1 1350 711 136 THR N N 115.708 0.200 1 1351 712 137 TYR H H 9.680 0.020 1 1352 712 137 TYR HA H 4.442 0.020 1 1353 712 137 TYR HB2 H 2.639 0.020 2 1354 712 137 TYR HB3 H 3.586 0.020 2 1355 712 137 TYR HD1 H 7.455 0.020 1 1356 712 137 TYR HD2 H 7.455 0.020 1 1357 712 137 TYR HE1 H 6.740 0.020 1 1358 712 137 TYR HE2 H 6.740 0.020 1 1359 712 137 TYR C C 174.460 0.200 1 1360 712 137 TYR CA C 58.830 0.200 1 1361 712 137 TYR CB C 39.264 0.200 1 1362 712 137 TYR CD1 C 133.859 0.200 1 1363 712 137 TYR CE1 C 119.105 0.200 1 1364 712 137 TYR N N 127.607 0.200 1 1365 713 138 ASN H H 8.540 0.020 1 1366 713 138 ASN HA H 5.639 0.020 1 1367 713 138 ASN HB2 H 2.647 0.020 2 1368 713 138 ASN HB3 H 2.413 0.020 2 1369 713 138 ASN HD21 H 7.318 0.020 2 1370 713 138 ASN HD22 H 6.870 0.020 2 1371 713 138 ASN C C 173.890 0.200 1 1372 713 138 ASN CA C 53.430 0.200 1 1373 713 138 ASN CB C 41.872 0.200 1 1374 713 138 ASN N N 122.726 0.200 1 1375 713 138 ASN ND2 N 113.219 0.200 1 1376 714 139 PHE H H 8.939 0.020 1 1377 714 139 PHE HA H 5.258 0.020 1 1378 714 139 PHE HB2 H 2.729 0.020 2 1379 714 139 PHE HB3 H 2.661 0.020 2 1380 714 139 PHE HD1 H 6.445 0.020 1 1381 714 139 PHE HD2 H 6.445 0.020 1 1382 714 139 PHE HE1 H 6.854 0.020 1 1383 714 139 PHE HE2 H 6.854 0.020 1 1384 714 139 PHE HZ H 6.934 0.020 1 1385 714 139 PHE C C 174.610 0.200 1 1386 714 139 PHE CA C 56.520 0.200 1 1387 714 139 PHE CB C 43.162 0.200 1 1388 714 139 PHE CD1 C 131.271 0.200 1 1389 714 139 PHE CE1 C 130.753 0.200 1 1390 714 139 PHE CZ C 128.941 0.200 1 1391 714 139 PHE N N 119.385 0.200 1 1392 715 140 ARG H H 9.126 0.020 1 1393 715 140 ARG HA H 5.099 0.020 1 1394 715 140 ARG HB2 H 1.697 0.020 2 1395 715 140 ARG HB3 H 1.593 0.020 2 1396 715 140 ARG HD2 H 2.997 0.020 2 1397 715 140 ARG HG2 H 1.343 0.020 2 1398 715 140 ARG C C 175.120 0.200 1 1399 715 140 ARG CA C 54.911 0.200 1 1400 715 140 ARG CB C 33.903 0.031 1 1401 715 140 ARG CD C 44.264 0.200 1 1402 715 140 ARG CG C 27.410 0.200 1 1403 715 140 ARG N N 123.576 0.200 1 1404 716 141 TRP H H 8.802 0.020 1 1405 716 141 TRP HA H 4.949 0.020 1 1406 716 141 TRP HB2 H 2.222 0.020 2 1407 716 141 TRP HB3 H 2.971 0.020 2 1408 716 141 TRP HD1 H 6.834 0.020 1 1409 716 141 TRP HE1 H 10.880 0.020 1 1410 716 141 TRP HE3 H 6.721 0.002 1 1411 716 141 TRP HH2 H 5.561 0.020 1 1412 716 141 TRP HZ2 H 6.892 0.020 1 1413 716 141 TRP HZ3 H 6.125 0.020 1 1414 716 141 TRP C C 175.481 0.200 1 1415 716 141 TRP CA C 55.933 0.200 1 1416 716 141 TRP CB C 31.942 0.200 1 1417 716 141 TRP CD1 C 123.764 0.200 1 1418 716 141 TRP CE3 C 119.623 0.200 1 1419 716 141 TRP CH2 C 124.800 0.200 1 1420 716 141 TRP CZ2 C 114.964 0.200 1 1421 716 141 TRP CZ3 C 119.623 0.200 1 1422 716 141 TRP N N 129.036 0.200 1 1423 716 141 TRP NE1 N 130.128 0.200 1 1424 717 142 TYR H H 9.224 0.020 1 1425 717 142 TYR HA H 5.361 0.020 1 1426 717 142 TYR HB2 H 3.017 0.020 2 1427 717 142 TYR HB3 H 3.078 0.020 2 1428 717 142 TYR HD1 H 7.138 0.020 1 1429 717 142 TYR HD2 H 7.138 0.020 1 1430 717 142 TYR HE1 H 6.822 0.007 1 1431 717 142 TYR HE2 H 6.822 0.007 1 1432 717 142 TYR C C 176.321 0.200 1 1433 717 142 TYR CA C 59.073 0.200 1 1434 717 142 TYR CB C 38.920 0.200 1 1435 717 142 TYR CD1 C 133.859 0.200 1 1436 717 142 TYR CE1 C 118.329 0.200 1 1437 717 142 TYR N N 127.751 0.200 1 1438 718 143 THR H H 9.338 0.020 1 1439 718 143 THR HA H 5.229 0.020 1 1440 718 143 THR HB H 4.765 0.020 1 1441 718 143 THR HG1 H 5.338 0.020 1 1442 718 143 THR HG2 H 1.194 0.020 1 1443 718 143 THR C C 174.940 0.200 1 1444 718 143 THR CA C 59.813 0.200 1 1445 718 143 THR CB C 70.659 0.200 1 1446 718 143 THR CG2 C 19.085 0.200 1 1447 718 143 THR N N 118.085 0.200 1 1448 719 144 SER H H 9.777 0.020 1 1449 719 144 SER HA H 4.568 0.020 1 1450 719 144 SER HB2 H 3.977 0.020 2 1451 719 144 SER HB3 H 3.774 0.020 2 1452 719 144 SER C C 177.402 0.200 1 1453 719 144 SER CA C 62.137 0.200 1 1454 719 144 SER CB C 64.131 0.200 1 1455 719 144 SER N N 128.907 0.200 1 1456 720 145 TYR H H 8.354 0.020 1 1457 720 145 TYR HA H 4.323 0.020 1 1458 720 145 TYR HB2 H 2.586 0.020 2 1459 720 145 TYR HB3 H 3.248 0.020 2 1460 720 145 TYR HD1 H 7.337 0.020 1 1461 720 145 TYR HD2 H 7.337 0.020 1 1462 720 145 TYR HE1 H 6.822 0.020 1 1463 720 145 TYR HE2 H 6.822 0.020 1 1464 720 145 TYR C C 174.100 0.200 1 1465 720 145 TYR CA C 61.217 0.200 1 1466 720 145 TYR CB C 37.625 0.200 1 1467 720 145 TYR CD1 C 133.342 0.200 1 1468 720 145 TYR CE1 C 118.329 0.200 1 1469 720 145 TYR N N 119.851 0.200 1 1470 721 146 ALA H H 6.913 0.020 1 1471 721 146 ALA HA H 4.462 0.020 1 1472 721 146 ALA HB H 1.135 0.020 1 1473 721 146 ALA C C 174.190 0.200 1 1474 721 146 ALA CA C 50.979 0.200 1 1475 721 146 ALA CB C 18.661 0.200 1 1476 721 146 ALA N N 118.534 0.200 1 1477 722 147 CYS H H 7.353 0.020 1 1478 722 147 CYS HA H 5.159 0.020 1 1479 722 147 CYS HB2 H 3.272 0.020 2 1480 722 147 CYS HB3 H 3.173 0.004 2 1481 722 147 CYS CA C 52.221 0.200 1 1482 722 147 CYS CB C 41.868 0.200 1 1483 722 147 CYS N N 117.731 0.200 1 1484 723 148 PRO HA H 4.280 0.007 1 1485 723 148 PRO HB2 H 2.647 0.020 2 1486 723 148 PRO HB3 H 2.108 0.020 2 1487 723 148 PRO HD2 H 4.297 0.020 2 1488 723 148 PRO HD3 H 3.842 0.020 2 1489 723 148 PRO HG2 H 2.388 0.001 2 1490 723 148 PRO HG3 H 2.147 0.020 2 1491 723 148 PRO CA C 64.193 0.200 1 1492 723 148 PRO CB C 32.808 0.200 1 1493 723 148 PRO CD C 51.898 0.200 1 1494 723 148 PRO CG C 28.278 0.200 1 stop_ save_