data_11099 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the fourth fibronectin type III domain of human Netrin receptor DCC ; _BMRB_accession_number 11099 _BMRB_flat_file_name bmr11099.str _Entry_type original _Submission_date 2010-02-18 _Accession_date 2010-02-22 _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 Tochio N. . . 2 Koshiba S. . . 3 Kigawa T. . . 4 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 602 "13C chemical shifts" 467 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-17 original author . stop_ _Original_release_date 2011-02-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the fourth fibronectin type III domain of human Netrin receptor DCC ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Koshiba S. . . 3 Kigawa T. . . 4 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Netrin receptor DCC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'fourth fn3 domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'fourth fn3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; GSSGSSGPENDLDESQVPDQ PSSLHVRPQTNCIIMSWTPP LNPNIVVRGYIIGYGVGSPY AETVRVDSKQRYYSIERLES SSHYVISLKAFNNAGEGVPL YESATTRSITSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 GLU 10 ASN 11 ASP 12 LEU 13 ASP 14 GLU 15 SER 16 GLN 17 VAL 18 PRO 19 ASP 20 GLN 21 PRO 22 SER 23 SER 24 LEU 25 HIS 26 VAL 27 ARG 28 PRO 29 GLN 30 THR 31 ASN 32 CYS 33 ILE 34 ILE 35 MET 36 SER 37 TRP 38 THR 39 PRO 40 PRO 41 LEU 42 ASN 43 PRO 44 ASN 45 ILE 46 VAL 47 VAL 48 ARG 49 GLY 50 TYR 51 ILE 52 ILE 53 GLY 54 TYR 55 GLY 56 VAL 57 GLY 58 SER 59 PRO 60 TYR 61 ALA 62 GLU 63 THR 64 VAL 65 ARG 66 VAL 67 ASP 68 SER 69 LYS 70 GLN 71 ARG 72 TYR 73 TYR 74 SER 75 ILE 76 GLU 77 ARG 78 LEU 79 GLU 80 SER 81 SER 82 SER 83 HIS 84 TYR 85 VAL 86 ILE 87 SER 88 LEU 89 LYS 90 ALA 91 PHE 92 ASN 93 ASN 94 ALA 95 GLY 96 GLU 97 GLY 98 VAL 99 PRO 100 LEU 101 TYR 102 GLU 103 SER 104 ALA 105 THR 106 THR 107 ARG 108 SER 109 ILE 110 THR 111 SER 112 GLY 113 PRO 114 SER 115 SER 116 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2EDB "Solution Structure Of The Fourth Fibronectin Type Iii Domain Of Human Netrin Receptor Dcc" 100.00 116 100.00 100.00 2.34e-76 PDB 4PLO "Crystal Structure Of Chicken Netrin-1 (ln-le3) In Complex With Mouse Dcc (fn4-5)" 84.48 206 100.00 100.00 3.75e-64 DBJ BAG63884 "unnamed protein product [Homo sapiens]" 88.79 897 100.00 100.00 4.47e-62 DBJ BAI45499 "protein deleted in colorectal carcinoma [synthetic construct]" 88.79 1447 100.00 100.00 3.24e-61 EMBL CAA53735 "tumour suppressor [Homo sapiens]" 88.79 1447 100.00 100.00 3.24e-61 GB AAH36524 "DCC protein, partial [Homo sapiens]" 88.79 772 100.00 100.00 3.88e-62 GB AAI52809 "Deleted in colorectal carcinoma, partial [synthetic construct]" 88.79 1447 100.00 100.00 3.24e-61 GB EAW62991 "deleted in colorectal carcinoma, isoform CRA_a [Homo sapiens]" 88.79 1394 100.00 100.00 3.37e-61 GB EAW62994 "deleted in colorectal carcinoma, isoform CRA_d [Homo sapiens]" 88.79 1396 100.00 100.00 2.86e-61 GB EFB26812 "hypothetical protein PANDA_002639, partial [Ailuropoda melanoleuca]" 88.79 811 100.00 100.00 1.13e-62 REF NP_005206 "netrin receptor DCC [Homo sapiens]" 88.79 1447 100.00 100.00 3.24e-61 REF XP_001916613 "PREDICTED: LOW QUALITY PROTEIN: netrin receptor DCC [Equus caballus]" 88.79 1447 100.00 100.00 3.18e-61 REF XP_002757292 "PREDICTED: netrin receptor DCC isoform X1 [Callithrix jacchus]" 88.79 1447 100.00 100.00 3.24e-61 REF XP_002800982 "PREDICTED: netrin receptor DCC-like [Macaca mulatta]" 88.79 1446 100.00 100.00 2.49e-61 REF XP_002828277 "PREDICTED: netrin receptor DCC isoform X1 [Pongo abelii]" 88.79 1295 100.00 100.00 2.98e-61 SP P43146 "RecName: Full=Netrin receptor DCC; AltName: Full=Colorectal cancer suppressor; AltName: Full=Immunoglobulin superfamily DCC sub" 88.79 1447 100.00 100.00 3.24e-61 TPG DAA15913 "TPA: netrin receptor DCC-like [Bos taurus]" 88.79 1492 99.03 100.00 1.66e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P050905-22 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.2mM sample [U-15N,13C]; 20mM d-Tris-HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' d-DTT 1 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMNMRView _Saveframe_category software _Name NMNMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.955 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMNMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'fourth fn3 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 PRO HA H 4.420 0.030 1 2 8 8 PRO HB2 H 2.272 0.030 2 3 8 8 PRO HB3 H 1.957 0.030 2 4 8 8 PRO HD2 H 3.608 0.030 2 5 8 8 PRO HG2 H 2.004 0.030 2 6 8 8 PRO C C 177.470 0.300 1 7 8 8 PRO CA C 63.455 0.300 1 8 8 8 PRO CB C 32.165 0.300 1 9 8 8 PRO CD C 49.807 0.300 1 10 8 8 PRO CG C 27.175 0.300 1 11 9 9 GLU H H 8.738 0.030 1 12 9 9 GLU HA H 4.216 0.030 1 13 9 9 GLU HB2 H 2.036 0.030 2 14 9 9 GLU HB3 H 1.918 0.030 2 15 9 9 GLU HG2 H 2.281 0.030 2 16 9 9 GLU HG3 H 2.239 0.030 2 17 9 9 GLU C C 176.392 0.300 1 18 9 9 GLU CA C 57.048 0.300 1 19 9 9 GLU CB C 29.817 0.300 1 20 9 9 GLU CG C 36.283 0.300 1 21 9 9 GLU N N 120.714 0.300 1 22 10 10 ASN H H 8.252 0.030 1 23 10 10 ASN HA H 4.677 0.030 1 24 10 10 ASN HB2 H 2.812 0.030 2 25 10 10 ASN HB3 H 2.690 0.030 2 26 10 10 ASN HD21 H 6.871 0.030 2 27 10 10 ASN HD22 H 7.593 0.030 2 28 10 10 ASN C C 174.612 0.300 1 29 10 10 ASN CA C 53.392 0.300 1 30 10 10 ASN CB C 39.417 0.300 1 31 10 10 ASN N N 118.484 0.300 1 32 10 10 ASN ND2 N 113.166 0.300 1 33 11 11 ASP H H 8.249 0.030 1 34 11 11 ASP HA H 4.601 0.030 1 35 11 11 ASP HB2 H 2.698 0.030 2 36 11 11 ASP HB3 H 2.561 0.030 2 37 11 11 ASP C C 175.797 0.300 1 38 11 11 ASP CA C 54.408 0.300 1 39 11 11 ASP CB C 41.113 0.300 1 40 11 11 ASP N N 120.258 0.300 1 41 12 12 LEU H H 7.938 0.030 1 42 12 12 LEU HA H 4.434 0.030 1 43 12 12 LEU HB2 H 1.598 0.030 2 44 12 12 LEU HB3 H 1.308 0.030 2 45 12 12 LEU HD1 H 0.869 0.030 1 46 12 12 LEU HD2 H 0.842 0.030 1 47 12 12 LEU HG H 1.604 0.030 1 48 12 12 LEU C C 176.330 0.300 1 49 12 12 LEU CA C 54.843 0.300 1 50 12 12 LEU CB C 43.158 0.300 1 51 12 12 LEU CD1 C 25.541 0.300 2 52 12 12 LEU CD2 C 23.279 0.300 2 53 12 12 LEU CG C 27.191 0.300 1 54 12 12 LEU N N 121.272 0.300 1 55 13 13 ASP H H 8.542 0.030 1 56 13 13 ASP HA H 4.639 0.030 1 57 13 13 ASP HB2 H 2.839 0.030 2 58 13 13 ASP HB3 H 2.597 0.030 2 59 13 13 ASP C C 175.050 0.300 1 60 13 13 ASP CA C 54.201 0.300 1 61 13 13 ASP CB C 42.621 0.300 1 62 13 13 ASP N N 121.652 0.300 1 63 14 14 GLU H H 9.001 0.030 1 64 14 14 GLU HA H 4.547 0.030 1 65 14 14 GLU HB2 H 2.112 0.030 2 66 14 14 GLU HB3 H 1.536 0.030 2 67 14 14 GLU HG2 H 2.857 0.030 2 68 14 14 GLU HG3 H 2.187 0.030 2 69 14 14 GLU C C 175.909 0.300 1 70 14 14 GLU CA C 54.470 0.300 1 71 14 14 GLU CB C 32.306 0.300 1 72 14 14 GLU CG C 39.850 0.300 1 73 14 14 GLU N N 129.785 0.300 1 74 15 15 SER H H 8.839 0.030 1 75 15 15 SER HA H 4.348 0.030 1 76 15 15 SER HB2 H 4.025 0.030 2 77 15 15 SER HB3 H 3.874 0.030 2 78 15 15 SER C C 173.346 0.300 1 79 15 15 SER CA C 59.077 0.300 1 80 15 15 SER CB C 64.292 0.300 1 81 15 15 SER N N 115.640 0.300 1 82 16 16 GLN H H 7.133 0.030 1 83 16 16 GLN HA H 4.642 0.030 1 84 16 16 GLN HB2 H 1.951 0.030 2 85 16 16 GLN HB3 H 1.849 0.030 2 86 16 16 GLN HE21 H 6.797 0.030 2 87 16 16 GLN HE22 H 7.744 0.030 2 88 16 16 GLN HG2 H 2.151 0.030 1 89 16 16 GLN HG3 H 2.151 0.030 1 90 16 16 GLN C C 173.596 0.300 1 91 16 16 GLN CA C 52.631 0.300 1 92 16 16 GLN CB C 32.643 0.300 1 93 16 16 GLN CG C 32.855 0.300 1 94 16 16 GLN N N 118.704 0.300 1 95 16 16 GLN NE2 N 113.545 0.300 1 96 17 17 VAL H H 7.979 0.030 1 97 17 17 VAL HA H 4.318 0.030 1 98 17 17 VAL HB H 1.775 0.030 1 99 17 17 VAL HG1 H 0.690 0.030 1 100 17 17 VAL HG2 H 0.847 0.030 1 101 17 17 VAL C C 172.550 0.300 1 102 17 17 VAL CA C 59.827 0.300 1 103 17 17 VAL CB C 29.646 0.300 1 104 17 17 VAL CG1 C 21.131 0.300 2 105 17 17 VAL CG2 C 17.662 0.300 2 106 17 17 VAL N N 114.303 0.300 1 107 18 18 PRO HA H 4.395 0.030 1 108 18 18 PRO HB2 H 2.075 0.030 2 109 18 18 PRO HB3 H 1.820 0.030 2 110 18 18 PRO HD2 H 3.124 0.030 2 111 18 18 PRO HD3 H 3.702 0.030 2 112 18 18 PRO HG2 H 1.832 0.030 2 113 18 18 PRO HG3 H 1.390 0.030 2 114 18 18 PRO C C 175.594 0.300 1 115 18 18 PRO CA C 61.826 0.300 1 116 18 18 PRO CB C 32.689 0.300 1 117 18 18 PRO CD C 49.828 0.300 1 118 18 18 PRO CG C 27.699 0.300 1 119 19 19 ASP H H 8.312 0.030 1 120 19 19 ASP HA H 4.686 0.030 1 121 19 19 ASP HB2 H 3.037 0.030 2 122 19 19 ASP HB3 H 2.631 0.030 2 123 19 19 ASP C C 175.289 0.300 1 124 19 19 ASP CA C 52.957 0.300 1 125 19 19 ASP CB C 42.673 0.300 1 126 19 19 ASP N N 117.500 0.300 1 127 20 20 GLN H H 8.637 0.030 1 128 20 20 GLN HA H 4.682 0.030 1 129 20 20 GLN HB2 H 1.967 0.030 2 130 20 20 GLN HB3 H 1.813 0.030 2 131 20 20 GLN HE21 H 7.134 0.030 2 132 20 20 GLN HE22 H 7.430 0.030 2 133 20 20 GLN HG2 H 2.377 0.030 2 134 20 20 GLN HG3 H 2.269 0.030 2 135 20 20 GLN C C 174.649 0.300 1 136 20 20 GLN CA C 54.666 0.300 1 137 20 20 GLN CB C 29.499 0.300 1 138 20 20 GLN CG C 34.203 0.300 1 139 20 20 GLN N N 117.116 0.300 1 140 20 20 GLN NE2 N 114.064 0.300 1 141 21 21 PRO HA H 4.134 0.030 1 142 21 21 PRO HB2 H 2.763 0.030 2 143 21 21 PRO HB3 H 1.819 0.030 2 144 21 21 PRO HD2 H 3.403 0.030 2 145 21 21 PRO HD3 H 4.451 0.030 2 146 21 21 PRO HG2 H 1.824 0.030 2 147 21 21 PRO HG3 H 1.681 0.030 2 148 21 21 PRO C C 174.696 0.300 1 149 21 21 PRO CA C 63.668 0.300 1 150 21 21 PRO CB C 31.224 0.300 1 151 21 21 PRO CD C 50.046 0.300 1 152 21 21 PRO CG C 28.637 0.300 1 153 22 22 SER H H 7.234 0.030 1 154 22 22 SER HA H 4.180 0.030 1 155 22 22 SER HB2 H 4.119 0.030 2 156 22 22 SER HB3 H 3.902 0.030 2 157 22 22 SER C C 174.128 0.300 1 158 22 22 SER CA C 60.548 0.300 1 159 22 22 SER CB C 64.289 0.300 1 160 22 22 SER N N 114.351 0.300 1 161 23 23 SER H H 7.423 0.030 1 162 23 23 SER HA H 4.398 0.030 1 163 23 23 SER HB2 H 3.659 0.030 2 164 23 23 SER HB3 H 4.017 0.030 2 165 23 23 SER C C 170.844 0.300 1 166 23 23 SER CA C 58.532 0.300 1 167 23 23 SER CB C 65.653 0.300 1 168 23 23 SER N N 112.532 0.300 1 169 24 24 LEU H H 8.000 0.030 1 170 24 24 LEU HA H 5.010 0.030 1 171 24 24 LEU HB2 H 1.650 0.030 2 172 24 24 LEU HB3 H 1.442 0.030 2 173 24 24 LEU HD1 H 0.954 0.030 1 174 24 24 LEU HD2 H 0.585 0.030 1 175 24 24 LEU HG H 1.293 0.030 1 176 24 24 LEU C C 173.486 0.300 1 177 24 24 LEU CA C 55.208 0.300 1 178 24 24 LEU CB C 44.808 0.300 1 179 24 24 LEU CD1 C 23.785 0.300 2 180 24 24 LEU CD2 C 26.456 0.300 2 181 24 24 LEU CG C 28.404 0.300 1 182 24 24 LEU N N 118.597 0.300 1 183 25 25 HIS H H 9.486 0.030 1 184 25 25 HIS HA H 5.042 0.030 1 185 25 25 HIS HB2 H 3.067 0.030 2 186 25 25 HIS HB3 H 2.986 0.030 2 187 25 25 HIS HD2 H 6.957 0.030 1 188 25 25 HIS HE1 H 7.789 0.030 1 189 25 25 HIS C C 174.618 0.300 1 190 25 25 HIS CA C 54.862 0.300 1 191 25 25 HIS CB C 32.888 0.300 1 192 25 25 HIS CD2 C 119.951 0.300 1 193 25 25 HIS CE1 C 138.068 0.300 1 194 25 25 HIS N N 126.681 0.300 1 195 26 26 VAL H H 8.726 0.030 1 196 26 26 VAL HA H 5.181 0.030 1 197 26 26 VAL HB H 1.732 0.030 1 198 26 26 VAL HG1 H 0.696 0.030 1 199 26 26 VAL HG2 H 0.808 0.030 1 200 26 26 VAL C C 174.738 0.300 1 201 26 26 VAL CA C 59.152 0.300 1 202 26 26 VAL CB C 34.952 0.300 1 203 26 26 VAL CG1 C 22.431 0.300 2 204 26 26 VAL CG2 C 19.894 0.300 2 205 26 26 VAL N N 117.433 0.300 1 206 27 27 ARG H H 8.873 0.030 1 207 27 27 ARG HA H 4.994 0.030 1 208 27 27 ARG HB2 H 1.714 0.030 2 209 27 27 ARG HB3 H 1.822 0.030 2 210 27 27 ARG HD2 H 3.174 0.030 1 211 27 27 ARG HD3 H 3.174 0.030 1 212 27 27 ARG HG2 H 1.554 0.030 2 213 27 27 ARG HG3 H 1.488 0.030 2 214 27 27 ARG C C 174.091 0.300 1 215 27 27 ARG CA C 52.439 0.300 1 216 27 27 ARG CB C 32.576 0.300 1 217 27 27 ARG CD C 43.755 0.300 1 218 27 27 ARG CG C 26.998 0.300 1 219 27 27 ARG N N 123.078 0.300 1 220 28 28 PRO HA H 4.652 0.030 1 221 28 28 PRO HB2 H 2.208 0.030 2 222 28 28 PRO HB3 H 1.876 0.030 2 223 28 28 PRO HD2 H 3.564 0.030 2 224 28 28 PRO HD3 H 4.032 0.030 2 225 28 28 PRO HG2 H 2.136 0.030 2 226 28 28 PRO HG3 H 2.336 0.030 2 227 28 28 PRO C C 176.288 0.300 1 228 28 28 PRO CA C 62.853 0.300 1 229 28 28 PRO CB C 33.682 0.300 1 230 28 28 PRO CD C 51.116 0.300 1 231 28 28 PRO CG C 27.124 0.300 1 232 29 29 GLN H H 8.532 0.030 1 233 29 29 GLN HA H 4.692 0.030 1 234 29 29 GLN HB2 H 2.145 0.030 2 235 29 29 GLN HB3 H 2.459 0.030 2 236 29 29 GLN HE21 H 6.945 0.030 2 237 29 29 GLN HE22 H 6.847 0.030 2 238 29 29 GLN HG2 H 2.232 0.030 1 239 29 29 GLN HG3 H 2.232 0.030 1 240 29 29 GLN C C 175.903 0.300 1 241 29 29 GLN CA C 54.291 0.300 1 242 29 29 GLN CB C 29.384 0.300 1 243 29 29 GLN CG C 33.900 0.300 1 244 29 29 GLN N N 121.862 0.300 1 245 29 29 GLN NE2 N 111.072 0.300 1 246 30 30 THR H H 8.149 0.030 1 247 30 30 THR HA H 4.272 0.030 1 248 30 30 THR HB H 3.998 0.030 1 249 30 30 THR HG2 H 1.124 0.030 1 250 30 30 THR C C 173.958 0.300 1 251 30 30 THR CA C 65.754 0.300 1 252 30 30 THR CB C 68.773 0.300 1 253 30 30 THR CG2 C 22.352 0.300 1 254 30 30 THR N N 116.503 0.300 1 255 31 31 ASN H H 8.032 0.030 1 256 31 31 ASN HA H 4.661 0.030 1 257 31 31 ASN HB2 H 3.077 0.030 2 258 31 31 ASN HB3 H 2.544 0.030 2 259 31 31 ASN HD21 H 7.784 0.030 2 260 31 31 ASN HD22 H 6.852 0.030 2 261 31 31 ASN C C 173.841 0.300 1 262 31 31 ASN CA C 52.341 0.300 1 263 31 31 ASN CB C 40.104 0.300 1 264 31 31 ASN N N 113.544 0.300 1 265 31 31 ASN ND2 N 110.953 0.300 1 266 32 32 CYS H H 7.171 0.030 1 267 32 32 CYS HA H 5.281 0.030 1 268 32 32 CYS HB2 H 2.750 0.030 1 269 32 32 CYS HB3 H 2.750 0.030 1 270 32 32 CYS C C 172.465 0.300 1 271 32 32 CYS CA C 55.242 0.300 1 272 32 32 CYS CB C 30.875 0.300 1 273 32 32 CYS N N 113.198 0.300 1 274 33 33 ILE H H 8.356 0.030 1 275 33 33 ILE HA H 4.126 0.030 1 276 33 33 ILE HB H 1.121 0.030 1 277 33 33 ILE HD1 H 0.456 0.030 1 278 33 33 ILE HG12 H 1.240 0.030 2 279 33 33 ILE HG13 H 0.411 0.030 2 280 33 33 ILE HG2 H 0.452 0.030 1 281 33 33 ILE C C 173.205 0.300 1 282 33 33 ILE CA C 61.292 0.300 1 283 33 33 ILE CB C 42.765 0.300 1 284 33 33 ILE CD1 C 14.983 0.300 1 285 33 33 ILE CG1 C 28.888 0.300 1 286 33 33 ILE CG2 C 17.840 0.300 1 287 33 33 ILE N N 121.293 0.300 1 288 34 34 ILE H H 8.107 0.030 1 289 34 34 ILE HA H 4.434 0.030 1 290 34 34 ILE HB H 1.815 0.030 1 291 34 34 ILE HD1 H 0.757 0.030 1 292 34 34 ILE HG12 H 1.454 0.030 2 293 34 34 ILE HG13 H 1.152 0.030 2 294 34 34 ILE HG2 H 0.763 0.030 1 295 34 34 ILE C C 175.657 0.300 1 296 34 34 ILE CA C 60.626 0.300 1 297 34 34 ILE CB C 38.807 0.300 1 298 34 34 ILE CD1 C 12.979 0.300 1 299 34 34 ILE CG1 C 28.211 0.300 1 300 34 34 ILE CG2 C 18.331 0.300 1 301 34 34 ILE N N 127.031 0.300 1 302 35 35 MET H H 9.272 0.030 1 303 35 35 MET HA H 5.545 0.030 1 304 35 35 MET HB2 H 2.359 0.030 2 305 35 35 MET HB3 H 2.069 0.030 2 306 35 35 MET HE H 1.744 0.030 1 307 35 35 MET HG2 H 2.598 0.030 2 308 35 35 MET HG3 H 2.502 0.030 2 309 35 35 MET C C 174.115 0.300 1 310 35 35 MET CA C 54.166 0.300 1 311 35 35 MET CB C 38.430 0.300 1 312 35 35 MET CE C 17.794 0.300 1 313 35 35 MET CG C 30.819 0.300 1 314 35 35 MET N N 126.811 0.300 1 315 36 36 SER H H 9.061 0.030 1 316 36 36 SER HA H 5.216 0.030 1 317 36 36 SER HB2 H 3.790 0.030 1 318 36 36 SER HB3 H 3.790 0.030 1 319 36 36 SER C C 172.998 0.300 1 320 36 36 SER CA C 57.195 0.300 1 321 36 36 SER CB C 65.999 0.300 1 322 36 36 SER N N 114.133 0.300 1 323 37 37 TRP H H 8.040 0.030 1 324 37 37 TRP HA H 5.217 0.030 1 325 37 37 TRP HB2 H 3.414 0.030 2 326 37 37 TRP HB3 H 3.068 0.030 2 327 37 37 TRP HD1 H 6.103 0.030 1 328 37 37 TRP HE1 H 6.503 0.030 1 329 37 37 TRP HE3 H 6.706 0.030 1 330 37 37 TRP HH2 H 6.560 0.030 1 331 37 37 TRP HZ2 H 6.495 0.030 1 332 37 37 TRP HZ3 H 6.617 0.030 1 333 37 37 TRP C C 173.871 0.300 1 334 37 37 TRP CA C 56.794 0.300 1 335 37 37 TRP CB C 32.552 0.300 1 336 37 37 TRP CD1 C 124.557 0.300 1 337 37 37 TRP CE3 C 119.659 0.300 1 338 37 37 TRP CH2 C 123.427 0.300 1 339 37 37 TRP CZ2 C 113.629 0.300 1 340 37 37 TRP CZ3 C 120.612 0.300 1 341 37 37 TRP N N 120.296 0.300 1 342 37 37 TRP NE1 N 124.584 0.300 1 343 38 38 THR H H 7.492 0.030 1 344 38 38 THR HA H 4.773 0.030 1 345 38 38 THR HB H 4.363 0.030 1 346 38 38 THR HG2 H 1.098 0.030 1 347 38 38 THR C C 172.186 0.300 1 348 38 38 THR CA C 57.783 0.300 1 349 38 38 THR CB C 69.539 0.300 1 350 38 38 THR CG2 C 22.350 0.300 1 351 38 38 THR N N 107.336 0.300 1 352 39 39 PRO HA H 5.222 0.030 1 353 39 39 PRO HB2 H 2.501 0.030 2 354 39 39 PRO HB3 H 2.041 0.030 2 355 39 39 PRO HD2 H 3.691 0.030 2 356 39 39 PRO HD3 H 3.554 0.030 2 357 39 39 PRO HG2 H 2.107 0.030 2 358 39 39 PRO HG3 H 1.983 0.030 2 359 39 39 PRO CA C 62.285 0.300 1 360 39 39 PRO CB C 30.766 0.300 1 361 39 39 PRO CD C 51.094 0.300 1 362 39 39 PRO CG C 27.529 0.300 1 363 40 40 PRO HA H 4.636 0.030 1 364 40 40 PRO HB2 H 2.137 0.030 2 365 40 40 PRO HD2 H 4.022 0.030 2 366 40 40 PRO HD3 H 3.737 0.030 2 367 40 40 PRO HG2 H 1.668 0.030 2 368 40 40 PRO HG3 H 1.834 0.030 2 369 40 40 PRO C C 176.240 0.300 1 370 40 40 PRO CA C 62.989 0.300 1 371 40 40 PRO CB C 32.581 0.300 1 372 40 40 PRO CD C 50.959 0.300 1 373 40 40 PRO CG C 27.902 0.300 1 374 41 41 LEU H H 8.483 0.030 1 375 41 41 LEU HA H 4.013 0.030 1 376 41 41 LEU HB2 H 1.698 0.030 2 377 41 41 LEU HB3 H 1.538 0.030 2 378 41 41 LEU HD1 H 0.971 0.030 1 379 41 41 LEU HD2 H 0.932 0.030 1 380 41 41 LEU HG H 1.697 0.030 1 381 41 41 LEU C C 177.964 0.300 1 382 41 41 LEU CA C 57.265 0.300 1 383 41 41 LEU CB C 42.522 0.300 1 384 41 41 LEU CD1 C 25.002 0.300 2 385 41 41 LEU CD2 C 23.335 0.300 2 386 41 41 LEU CG C 27.018 0.300 1 387 41 41 LEU N N 122.418 0.300 1 388 42 42 ASN H H 8.395 0.030 1 389 42 42 ASN HA H 4.803 0.030 1 390 42 42 ASN HB2 H 2.975 0.030 2 391 42 42 ASN HB3 H 2.833 0.030 2 392 42 42 ASN HD21 H 7.270 0.030 2 393 42 42 ASN HD22 H 8.038 0.030 2 394 42 42 ASN C C 174.655 0.300 1 395 42 42 ASN CA C 50.707 0.300 1 396 42 42 ASN CB C 38.283 0.300 1 397 42 42 ASN N N 116.796 0.300 1 398 42 42 ASN ND2 N 112.622 0.300 1 399 43 43 PRO HA H 4.597 0.030 1 400 43 43 PRO HB2 H 2.054 0.030 2 401 43 43 PRO HB3 H 2.220 0.030 2 402 43 43 PRO HD2 H 4.271 0.030 2 403 43 43 PRO HD3 H 3.852 0.030 2 404 43 43 PRO HG2 H 2.050 0.030 2 405 43 43 PRO HG3 H 1.845 0.030 2 406 43 43 PRO C C 177.267 0.300 1 407 43 43 PRO CA C 63.583 0.300 1 408 43 43 PRO CB C 32.244 0.300 1 409 43 43 PRO CD C 50.681 0.300 1 410 43 43 PRO CG C 26.263 0.300 1 411 44 44 ASN H H 8.209 0.030 1 412 44 44 ASN HA H 4.640 0.030 1 413 44 44 ASN HB2 H 2.958 0.030 2 414 44 44 ASN HB3 H 2.763 0.030 2 415 44 44 ASN HD21 H 7.605 0.030 2 416 44 44 ASN HD22 H 6.996 0.030 2 417 44 44 ASN C C 173.986 0.300 1 418 44 44 ASN CA C 54.898 0.300 1 419 44 44 ASN CB C 39.384 0.300 1 420 44 44 ASN N N 116.596 0.300 1 421 44 44 ASN ND2 N 113.254 0.300 1 422 45 45 ILE H H 6.497 0.030 1 423 45 45 ILE HA H 4.829 0.030 1 424 45 45 ILE HB H 1.657 0.030 1 425 45 45 ILE HD1 H 0.706 0.030 1 426 45 45 ILE HG12 H 1.399 0.030 2 427 45 45 ILE HG13 H 0.916 0.030 2 428 45 45 ILE HG2 H 0.695 0.030 1 429 45 45 ILE C C 176.618 0.300 1 430 45 45 ILE CA C 59.276 0.300 1 431 45 45 ILE CB C 38.652 0.300 1 432 45 45 ILE CD1 C 12.704 0.300 1 433 45 45 ILE CG1 C 27.865 0.300 1 434 45 45 ILE CG2 C 16.934 0.300 1 435 45 45 ILE N N 117.769 0.300 1 436 46 46 VAL H H 8.229 0.030 1 437 46 46 VAL HA H 3.605 0.030 1 438 46 46 VAL HB H 1.670 0.030 1 439 46 46 VAL HG1 H 0.776 0.030 1 440 46 46 VAL HG2 H 0.908 0.030 1 441 46 46 VAL C C 174.062 0.300 1 442 46 46 VAL CA C 63.762 0.300 1 443 46 46 VAL CB C 33.754 0.300 1 444 46 46 VAL CG1 C 20.829 0.300 2 445 46 46 VAL CG2 C 23.674 0.300 2 446 46 46 VAL N N 129.077 0.300 1 447 47 47 VAL H H 8.247 0.030 1 448 47 47 VAL HA H 3.886 0.030 1 449 47 47 VAL HB H 1.958 0.030 1 450 47 47 VAL HG1 H 0.526 0.030 1 451 47 47 VAL HG2 H 0.795 0.030 1 452 47 47 VAL C C 176.264 0.300 1 453 47 47 VAL CA C 62.235 0.300 1 454 47 47 VAL CB C 34.465 0.300 1 455 47 47 VAL CG1 C 22.307 0.300 2 456 47 47 VAL CG2 C 21.708 0.300 2 457 47 47 VAL N N 125.355 0.300 1 458 48 48 ARG H H 8.903 0.030 1 459 48 48 ARG HA H 4.360 0.030 1 460 48 48 ARG HB2 H 1.758 0.030 2 461 48 48 ARG HB3 H 1.339 0.030 2 462 48 48 ARG HD2 H 3.115 0.030 2 463 48 48 ARG HD3 H 3.022 0.030 2 464 48 48 ARG HE H 9.433 0.030 1 465 48 48 ARG HG2 H 1.408 0.030 2 466 48 48 ARG HG3 H 1.666 0.030 2 467 48 48 ARG C C 176.111 0.300 1 468 48 48 ARG CA C 55.007 0.300 1 469 48 48 ARG CB C 30.989 0.300 1 470 48 48 ARG CD C 42.768 0.300 1 471 48 48 ARG CG C 26.890 0.300 1 472 48 48 ARG N N 122.703 0.300 1 473 48 48 ARG NE N 86.180 0.300 1 474 49 49 GLY H H 6.632 0.030 1 475 49 49 GLY HA2 H 3.992 0.030 2 476 49 49 GLY HA3 H 3.201 0.030 2 477 49 49 GLY C C 168.938 0.300 1 478 49 49 GLY CA C 45.317 0.300 1 479 49 49 GLY N N 106.587 0.300 1 480 50 50 TYR H H 8.480 0.030 1 481 50 50 TYR HA H 5.337 0.030 1 482 50 50 TYR HB2 H 2.392 0.030 2 483 50 50 TYR HB3 H 2.314 0.030 2 484 50 50 TYR HE1 H 6.646 0.030 1 485 50 50 TYR HE2 H 6.646 0.030 1 486 50 50 TYR C C 174.222 0.300 1 487 50 50 TYR CA C 56.390 0.300 1 488 50 50 TYR CB C 41.736 0.300 1 489 50 50 TYR CE1 C 117.919 0.300 1 490 50 50 TYR CE2 C 117.919 0.300 1 491 50 50 TYR N N 114.400 0.300 1 492 51 51 ILE H H 9.402 0.030 1 493 51 51 ILE HA H 4.749 0.030 1 494 51 51 ILE HB H 1.416 0.030 1 495 51 51 ILE HD1 H 0.519 0.030 1 496 51 51 ILE HG12 H 1.529 0.030 2 497 51 51 ILE HG13 H 0.673 0.030 2 498 51 51 ILE HG2 H 0.731 0.030 1 499 51 51 ILE C C 175.492 0.300 1 500 51 51 ILE CA C 60.289 0.300 1 501 51 51 ILE CB C 40.790 0.300 1 502 51 51 ILE CD1 C 14.629 0.300 1 503 51 51 ILE CG1 C 28.053 0.300 1 504 51 51 ILE CG2 C 18.203 0.300 1 505 51 51 ILE N N 120.460 0.300 1 506 52 52 ILE H H 9.429 0.030 1 507 52 52 ILE HA H 4.638 0.030 1 508 52 52 ILE HB H 1.437 0.030 1 509 52 52 ILE HD1 H 0.229 0.030 1 510 52 52 ILE HG12 H 0.993 0.030 2 511 52 52 ILE HG13 H 0.465 0.030 2 512 52 52 ILE HG2 H 0.738 0.030 1 513 52 52 ILE C C 174.365 0.300 1 514 52 52 ILE CA C 60.286 0.300 1 515 52 52 ILE CB C 40.634 0.300 1 516 52 52 ILE CD1 C 14.909 0.300 1 517 52 52 ILE CG1 C 28.641 0.300 1 518 52 52 ILE CG2 C 17.743 0.300 1 519 52 52 ILE N N 133.015 0.300 1 520 53 53 GLY H H 9.072 0.030 1 521 53 53 GLY HA2 H 5.537 0.030 2 522 53 53 GLY HA3 H 3.580 0.030 2 523 53 53 GLY C C 172.971 0.300 1 524 53 53 GLY CA C 43.787 0.300 1 525 53 53 GLY N N 116.026 0.300 1 526 54 54 TYR H H 8.045 0.030 1 527 54 54 TYR HA H 5.977 0.030 1 528 54 54 TYR HB2 H 3.244 0.030 2 529 54 54 TYR HB3 H 2.701 0.030 2 530 54 54 TYR HD1 H 6.642 0.030 1 531 54 54 TYR HD2 H 6.642 0.030 1 532 54 54 TYR HE1 H 6.572 0.030 1 533 54 54 TYR HE2 H 6.572 0.030 1 534 54 54 TYR C C 174.647 0.300 1 535 54 54 TYR CA C 56.340 0.300 1 536 54 54 TYR CB C 41.692 0.300 1 537 54 54 TYR CD1 C 133.321 0.300 1 538 54 54 TYR CD2 C 133.321 0.300 1 539 54 54 TYR CE1 C 118.404 0.300 1 540 54 54 TYR CE2 C 118.404 0.300 1 541 54 54 TYR N N 115.063 0.300 1 542 55 55 GLY H H 8.060 0.030 1 543 55 55 GLY HA2 H 4.592 0.030 2 544 55 55 GLY HA3 H 4.225 0.030 2 545 55 55 GLY C C 172.146 0.300 1 546 55 55 GLY CA C 46.095 0.300 1 547 55 55 GLY N N 104.391 0.300 1 548 56 56 VAL H H 8.590 0.030 1 549 56 56 VAL HA H 4.012 0.030 1 550 56 56 VAL HB H 1.910 0.030 1 551 56 56 VAL HG1 H 0.804 0.030 1 552 56 56 VAL HG2 H 0.600 0.030 1 553 56 56 VAL C C 178.538 0.300 1 554 56 56 VAL CA C 63.342 0.300 1 555 56 56 VAL CB C 31.227 0.300 1 556 56 56 VAL CG1 C 20.891 0.300 2 557 56 56 VAL CG2 C 21.214 0.300 2 558 56 56 VAL N N 121.212 0.300 1 559 57 57 GLY H H 8.744 0.030 1 560 57 57 GLY HA2 H 4.143 0.030 2 561 57 57 GLY HA3 H 3.666 0.030 2 562 57 57 GLY C C 173.118 0.300 1 563 57 57 GLY CA C 45.963 0.300 1 564 57 57 GLY N N 115.971 0.300 1 565 58 58 SER H H 7.170 0.030 1 566 58 58 SER HA H 4.619 0.030 1 567 58 58 SER HB2 H 3.719 0.030 2 568 58 58 SER HB3 H 3.853 0.030 2 569 58 58 SER C C 172.151 0.300 1 570 58 58 SER CA C 55.095 0.300 1 571 58 58 SER CB C 63.900 0.300 1 572 58 58 SER N N 113.596 0.300 1 573 59 59 PRO HA H 4.494 0.030 1 574 59 59 PRO HB2 H 1.878 0.030 2 575 59 59 PRO HB3 H 1.484 0.030 2 576 59 59 PRO HD2 H 3.159 0.030 2 577 59 59 PRO HD3 H 3.260 0.030 2 578 59 59 PRO HG2 H 1.640 0.030 2 579 59 59 PRO HG3 H 1.102 0.030 2 580 59 59 PRO C C 174.562 0.300 1 581 59 59 PRO CA C 63.015 0.300 1 582 59 59 PRO CB C 29.803 0.300 1 583 59 59 PRO CD C 49.198 0.300 1 584 59 59 PRO CG C 25.911 0.300 1 585 60 60 TYR H H 7.059 0.030 1 586 60 60 TYR HA H 4.566 0.030 1 587 60 60 TYR HB2 H 3.264 0.030 2 588 60 60 TYR HB3 H 2.432 0.030 2 589 60 60 TYR HD1 H 6.967 0.030 1 590 60 60 TYR HD2 H 6.967 0.030 1 591 60 60 TYR HE1 H 6.781 0.030 1 592 60 60 TYR HE2 H 6.781 0.030 1 593 60 60 TYR C C 175.792 0.300 1 594 60 60 TYR CA C 56.747 0.300 1 595 60 60 TYR CB C 38.890 0.300 1 596 60 60 TYR CD1 C 132.799 0.300 1 597 60 60 TYR CD2 C 132.799 0.300 1 598 60 60 TYR CE1 C 118.247 0.300 1 599 60 60 TYR CE2 C 118.247 0.300 1 600 60 60 TYR N N 114.853 0.300 1 601 61 61 ALA H H 7.118 0.030 1 602 61 61 ALA HA H 4.048 0.030 1 603 61 61 ALA HB H 1.686 0.030 1 604 61 61 ALA C C 177.690 0.300 1 605 61 61 ALA CA C 55.676 0.300 1 606 61 61 ALA CB C 19.263 0.300 1 607 61 61 ALA N N 123.945 0.300 1 608 62 62 GLU H H 7.746 0.030 1 609 62 62 GLU HA H 4.501 0.030 1 610 62 62 GLU HB2 H 1.394 0.030 2 611 62 62 GLU HB3 H 0.665 0.030 2 612 62 62 GLU HG2 H 2.016 0.030 1 613 62 62 GLU HG3 H 2.016 0.030 1 614 62 62 GLU C C 174.952 0.300 1 615 62 62 GLU CA C 54.430 0.300 1 616 62 62 GLU CB C 32.401 0.300 1 617 62 62 GLU CG C 35.530 0.300 1 618 62 62 GLU N N 115.709 0.300 1 619 63 63 THR H H 8.156 0.030 1 620 63 63 THR HA H 5.547 0.030 1 621 63 63 THR HB H 3.792 0.030 1 622 63 63 THR HG2 H 1.030 0.030 1 623 63 63 THR C C 174.147 0.300 1 624 63 63 THR CA C 60.305 0.300 1 625 63 63 THR CB C 72.440 0.300 1 626 63 63 THR CG2 C 21.552 0.300 1 627 63 63 THR N N 113.052 0.300 1 628 64 64 VAL H H 9.490 0.030 1 629 64 64 VAL HA H 4.341 0.030 1 630 64 64 VAL HB H 1.802 0.030 1 631 64 64 VAL HG1 H 0.773 0.030 1 632 64 64 VAL HG2 H 0.930 0.030 1 633 64 64 VAL C C 173.546 0.300 1 634 64 64 VAL CA C 61.031 0.300 1 635 64 64 VAL CB C 36.120 0.300 1 636 64 64 VAL CG1 C 20.612 0.300 2 637 64 64 VAL CG2 C 20.456 0.300 2 638 64 64 VAL N N 124.845 0.300 1 639 65 65 ARG H H 8.472 0.030 1 640 65 65 ARG HA H 5.396 0.030 1 641 65 65 ARG HB2 H 1.773 0.030 2 642 65 65 ARG HB3 H 1.647 0.030 2 643 65 65 ARG HD2 H 2.985 0.030 2 644 65 65 ARG HD3 H 2.847 0.030 2 645 65 65 ARG HG2 H 1.546 0.030 2 646 65 65 ARG HG3 H 1.368 0.030 2 647 65 65 ARG C C 176.204 0.300 1 648 65 65 ARG CA C 54.931 0.300 1 649 65 65 ARG CB C 32.625 0.300 1 650 65 65 ARG CD C 43.477 0.300 1 651 65 65 ARG CG C 28.420 0.300 1 652 65 65 ARG N N 124.786 0.300 1 653 66 66 VAL H H 9.144 0.030 1 654 66 66 VAL HA H 4.984 0.030 1 655 66 66 VAL HB H 2.464 0.030 1 656 66 66 VAL HG1 H 0.854 0.030 1 657 66 66 VAL HG2 H 1.075 0.030 1 658 66 66 VAL C C 175.914 0.300 1 659 66 66 VAL CA C 58.899 0.300 1 660 66 66 VAL CB C 35.775 0.300 1 661 66 66 VAL CG1 C 21.879 0.300 2 662 66 66 VAL CG2 C 20.107 0.300 2 663 66 66 VAL N N 115.898 0.300 1 664 67 67 ASP H H 8.704 0.030 1 665 67 67 ASP HA H 4.860 0.030 1 666 67 67 ASP HB2 H 3.381 0.030 2 667 67 67 ASP HB3 H 2.824 0.030 2 668 67 67 ASP C C 176.116 0.300 1 669 67 67 ASP CA C 54.606 0.300 1 670 67 67 ASP CB C 42.140 0.300 1 671 67 67 ASP N N 120.879 0.300 1 672 68 68 SER H H 7.631 0.030 1 673 68 68 SER HA H 3.975 0.030 1 674 68 68 SER HB2 H 3.444 0.030 2 675 68 68 SER HB3 H 3.904 0.030 2 676 68 68 SER C C 175.991 0.300 1 677 68 68 SER CA C 60.850 0.300 1 678 68 68 SER CB C 63.700 0.300 1 679 68 68 SER N N 110.585 0.300 1 680 69 69 LYS H H 8.687 0.030 1 681 69 69 LYS HA H 4.352 0.030 1 682 69 69 LYS HB2 H 1.940 0.030 2 683 69 69 LYS HB3 H 1.876 0.030 2 684 69 69 LYS HD2 H 1.695 0.030 1 685 69 69 LYS HD3 H 1.695 0.030 1 686 69 69 LYS HE2 H 3.003 0.030 1 687 69 69 LYS HE3 H 3.003 0.030 1 688 69 69 LYS HG2 H 1.508 0.030 2 689 69 69 LYS HG3 H 1.454 0.030 2 690 69 69 LYS C C 176.700 0.300 1 691 69 69 LYS CA C 56.713 0.300 1 692 69 69 LYS CB C 32.252 0.300 1 693 69 69 LYS CD C 28.896 0.300 1 694 69 69 LYS CE C 42.054 0.300 1 695 69 69 LYS CG C 25.284 0.300 1 696 69 69 LYS N N 122.057 0.300 1 697 70 70 GLN H H 7.590 0.030 1 698 70 70 GLN HA H 4.060 0.030 1 699 70 70 GLN HB2 H 2.347 0.030 2 700 70 70 GLN HB3 H 2.286 0.030 2 701 70 70 GLN HE21 H 7.103 0.030 2 702 70 70 GLN HE22 H 8.487 0.030 2 703 70 70 GLN HG2 H 2.787 0.030 2 704 70 70 GLN HG3 H 2.599 0.030 2 705 70 70 GLN C C 176.078 0.300 1 706 70 70 GLN CA C 56.167 0.300 1 707 70 70 GLN CB C 28.951 0.300 1 708 70 70 GLN CG C 33.875 0.300 1 709 70 70 GLN N N 120.199 0.300 1 710 70 70 GLN NE2 N 115.612 0.300 1 711 71 71 ARG H H 8.140 0.030 1 712 71 71 ARG HA H 2.598 0.030 1 713 71 71 ARG HB2 H 1.760 0.030 2 714 71 71 ARG HB3 H 1.097 0.030 2 715 71 71 ARG HD2 H 2.967 0.030 2 716 71 71 ARG HG2 H 1.430 0.030 2 717 71 71 ARG HG3 H 1.198 0.030 2 718 71 71 ARG C C 172.647 0.300 1 719 71 71 ARG CA C 52.790 0.300 1 720 71 71 ARG CB C 31.625 0.300 1 721 71 71 ARG CD C 42.129 0.300 1 722 71 71 ARG CG C 26.610 0.300 1 723 71 71 ARG N N 120.435 0.300 1 724 72 72 TYR H H 6.624 0.030 1 725 72 72 TYR HA H 4.976 0.030 1 726 72 72 TYR HB2 H 2.724 0.030 2 727 72 72 TYR HB3 H 2.653 0.030 2 728 72 72 TYR HD1 H 6.819 0.030 1 729 72 72 TYR HD2 H 6.819 0.030 1 730 72 72 TYR HE1 H 6.615 0.030 1 731 72 72 TYR HE2 H 6.615 0.030 1 732 72 72 TYR C C 174.128 0.300 1 733 72 72 TYR CA C 55.671 0.300 1 734 72 72 TYR CB C 42.189 0.300 1 735 72 72 TYR CD1 C 133.347 0.300 1 736 72 72 TYR CD2 C 133.347 0.300 1 737 72 72 TYR CE1 C 117.680 0.300 1 738 72 72 TYR CE2 C 117.680 0.300 1 739 72 72 TYR N N 118.111 0.300 1 740 73 73 TYR H H 8.685 0.030 1 741 73 73 TYR HA H 4.348 0.030 1 742 73 73 TYR HB2 H 3.348 0.030 2 743 73 73 TYR HB3 H 2.832 0.030 2 744 73 73 TYR HD1 H 6.980 0.030 1 745 73 73 TYR HD2 H 6.980 0.030 1 746 73 73 TYR HE1 H 6.626 0.030 1 747 73 73 TYR HE2 H 6.626 0.030 1 748 73 73 TYR C C 172.461 0.300 1 749 73 73 TYR CA C 59.514 0.300 1 750 73 73 TYR CB C 42.581 0.300 1 751 73 73 TYR CD1 C 132.754 0.300 1 752 73 73 TYR CD2 C 132.754 0.300 1 753 73 73 TYR CE1 C 117.619 0.300 1 754 73 73 TYR CE2 C 117.619 0.300 1 755 73 73 TYR N N 123.456 0.300 1 756 74 74 SER H H 7.289 0.030 1 757 74 74 SER HA H 4.695 0.030 1 758 74 74 SER HB2 H 3.462 0.030 2 759 74 74 SER HB3 H 3.301 0.030 2 760 74 74 SER C C 172.417 0.300 1 761 74 74 SER CA C 55.948 0.300 1 762 74 74 SER CB C 63.066 0.300 1 763 74 74 SER N N 121.709 0.300 1 764 75 75 ILE H H 8.774 0.030 1 765 75 75 ILE HA H 3.673 0.030 1 766 75 75 ILE HB H 1.378 0.030 1 767 75 75 ILE HD1 H 0.445 0.030 1 768 75 75 ILE HG12 H 1.594 0.030 2 769 75 75 ILE HG13 H 0.536 0.030 2 770 75 75 ILE HG2 H -0.158 0.030 1 771 75 75 ILE C C 175.212 0.300 1 772 75 75 ILE CA C 61.528 0.300 1 773 75 75 ILE CB C 37.584 0.300 1 774 75 75 ILE CD1 C 14.023 0.300 1 775 75 75 ILE CG1 C 26.937 0.300 1 776 75 75 ILE CG2 C 18.065 0.300 1 777 75 75 ILE N N 127.724 0.300 1 778 76 76 GLU H H 7.929 0.030 1 779 76 76 GLU HA H 4.482 0.030 1 780 76 76 GLU HB2 H 2.084 0.030 2 781 76 76 GLU HB3 H 1.722 0.030 2 782 76 76 GLU HG2 H 2.116 0.030 2 783 76 76 GLU HG3 H 2.003 0.030 2 784 76 76 GLU C C 174.681 0.300 1 785 76 76 GLU CA C 55.148 0.300 1 786 76 76 GLU CB C 32.697 0.300 1 787 76 76 GLU CG C 36.505 0.300 1 788 76 76 GLU N N 124.952 0.300 1 789 77 77 ARG H H 8.797 0.030 1 790 77 77 ARG HA H 3.826 0.030 1 791 77 77 ARG HB2 H 1.971 0.030 1 792 77 77 ARG HB3 H 1.971 0.030 1 793 77 77 ARG HD2 H 3.275 0.030 2 794 77 77 ARG HD3 H 3.184 0.030 2 795 77 77 ARG HG2 H 1.538 0.030 1 796 77 77 ARG HG3 H 1.538 0.030 1 797 77 77 ARG C C 176.044 0.300 1 798 77 77 ARG CA C 56.823 0.300 1 799 77 77 ARG CB C 26.518 0.300 1 800 77 77 ARG CD C 43.388 0.300 1 801 77 77 ARG CG C 28.019 0.300 1 802 77 77 ARG N N 112.931 0.300 1 803 78 78 LEU H H 7.767 0.030 1 804 78 78 LEU HA H 4.460 0.030 1 805 78 78 LEU HB2 H 0.793 0.030 2 806 78 78 LEU HB3 H 1.306 0.030 2 807 78 78 LEU HD1 H -0.293 0.030 1 808 78 78 LEU HD2 H 0.275 0.030 1 809 78 78 LEU HG H 0.936 0.030 1 810 78 78 LEU C C 177.416 0.300 1 811 78 78 LEU CA C 52.981 0.300 1 812 78 78 LEU CB C 41.969 0.300 1 813 78 78 LEU CD1 C 25.000 0.300 2 814 78 78 LEU CD2 C 19.748 0.300 2 815 78 78 LEU CG C 25.619 0.300 1 816 78 78 LEU N N 116.588 0.300 1 817 79 79 GLU H H 8.251 0.030 1 818 79 79 GLU HA H 4.452 0.030 1 819 79 79 GLU HB2 H 2.141 0.030 2 820 79 79 GLU HB3 H 1.974 0.030 2 821 79 79 GLU HG2 H 2.454 0.030 2 822 79 79 GLU HG3 H 2.333 0.030 2 823 79 79 GLU C C 177.085 0.300 1 824 79 79 GLU CA C 55.161 0.300 1 825 79 79 GLU CB C 31.112 0.300 1 826 79 79 GLU CG C 36.029 0.300 1 827 79 79 GLU N N 120.249 0.300 1 828 80 80 SER H H 8.542 0.030 1 829 80 80 SER HA H 4.937 0.030 1 830 80 80 SER HB2 H 4.288 0.030 2 831 80 80 SER HB3 H 3.933 0.030 2 832 80 80 SER C C 175.341 0.300 1 833 80 80 SER CA C 58.829 0.300 1 834 80 80 SER CB C 64.621 0.300 1 835 80 80 SER N N 118.192 0.300 1 836 81 81 SER H H 7.605 0.030 1 837 81 81 SER HA H 3.951 0.030 1 838 81 81 SER HB2 H 4.045 0.030 2 839 81 81 SER HB3 H 3.759 0.030 2 840 81 81 SER C C 174.143 0.300 1 841 81 81 SER CA C 58.707 0.300 1 842 81 81 SER CB C 62.387 0.300 1 843 81 81 SER N N 117.951 0.300 1 844 82 82 SER H H 8.441 0.030 1 845 82 82 SER HA H 4.843 0.030 1 846 82 82 SER HB2 H 3.624 0.030 2 847 82 82 SER HB3 H 3.324 0.030 2 848 82 82 SER C C 170.861 0.300 1 849 82 82 SER CA C 58.072 0.300 1 850 82 82 SER CB C 66.834 0.300 1 851 82 82 SER N N 114.139 0.300 1 852 83 83 HIS H H 8.616 0.030 1 853 83 83 HIS HA H 4.994 0.030 1 854 83 83 HIS HB2 H 3.107 0.030 2 855 83 83 HIS HB3 H 2.899 0.030 2 856 83 83 HIS HD2 H 6.872 0.030 1 857 83 83 HIS HE1 H 7.737 0.030 1 858 83 83 HIS C C 173.957 0.300 1 859 83 83 HIS CA C 55.593 0.300 1 860 83 83 HIS CB C 30.421 0.300 1 861 83 83 HIS CD2 C 120.662 0.300 1 862 83 83 HIS CE1 C 137.664 0.300 1 863 83 83 HIS N N 124.277 0.300 1 864 84 84 TYR H H 9.007 0.030 1 865 84 84 TYR HA H 4.839 0.030 1 866 84 84 TYR HB2 H 2.708 0.030 2 867 84 84 TYR HB3 H 2.572 0.030 2 868 84 84 TYR HD1 H 6.940 0.030 1 869 84 84 TYR HD2 H 6.940 0.030 1 870 84 84 TYR HE1 H 6.880 0.030 1 871 84 84 TYR HE2 H 6.880 0.030 1 872 84 84 TYR C C 174.925 0.300 1 873 84 84 TYR CA C 58.276 0.300 1 874 84 84 TYR CB C 41.755 0.300 1 875 84 84 TYR CD1 C 132.543 0.300 1 876 84 84 TYR CD2 C 132.543 0.300 1 877 84 84 TYR CE1 C 119.074 0.300 1 878 84 84 TYR CE2 C 119.074 0.300 1 879 84 84 TYR N N 125.760 0.300 1 880 85 85 VAL H H 8.646 0.030 1 881 85 85 VAL HA H 4.479 0.030 1 882 85 85 VAL HB H 1.410 0.030 1 883 85 85 VAL HG1 H 0.844 0.030 1 884 85 85 VAL HG2 H 0.648 0.030 1 885 85 85 VAL C C 174.177 0.300 1 886 85 85 VAL CA C 61.370 0.300 1 887 85 85 VAL CB C 33.762 0.300 1 888 85 85 VAL CG1 C 21.595 0.300 2 889 85 85 VAL CG2 C 20.521 0.300 2 890 85 85 VAL N N 119.471 0.300 1 891 86 86 ILE H H 8.793 0.030 1 892 86 86 ILE HA H 5.190 0.030 1 893 86 86 ILE HB H 1.461 0.030 1 894 86 86 ILE HD1 H 0.713 0.030 1 895 86 86 ILE HG12 H 1.380 0.030 2 896 86 86 ILE HG13 H 1.052 0.030 2 897 86 86 ILE HG2 H 0.882 0.030 1 898 86 86 ILE C C 174.413 0.300 1 899 86 86 ILE CA C 59.297 0.300 1 900 86 86 ILE CB C 42.685 0.300 1 901 86 86 ILE CD1 C 15.381 0.300 1 902 86 86 ILE CG1 C 28.740 0.300 1 903 86 86 ILE CG2 C 18.684 0.300 1 904 86 86 ILE N N 125.456 0.300 1 905 87 87 SER H H 9.749 0.030 1 906 87 87 SER HA H 5.278 0.030 1 907 87 87 SER HB2 H 3.438 0.030 2 908 87 87 SER HB3 H 3.381 0.030 2 909 87 87 SER C C 172.712 0.300 1 910 87 87 SER CA C 55.176 0.300 1 911 87 87 SER CB C 67.489 0.300 1 912 87 87 SER N N 119.641 0.300 1 913 88 88 LEU H H 8.416 0.030 1 914 88 88 LEU HA H 5.024 0.030 1 915 88 88 LEU HB2 H 1.429 0.030 2 916 88 88 LEU HB3 H 0.798 0.030 2 917 88 88 LEU HD1 H -0.293 0.030 1 918 88 88 LEU HD2 H 0.058 0.030 1 919 88 88 LEU HG H 0.786 0.030 1 920 88 88 LEU C C 174.318 0.300 1 921 88 88 LEU CA C 53.557 0.300 1 922 88 88 LEU CB C 46.907 0.300 1 923 88 88 LEU CD1 C 22.809 0.300 2 924 88 88 LEU CD2 C 27.429 0.300 2 925 88 88 LEU CG C 27.566 0.300 1 926 88 88 LEU N N 122.662 0.300 1 927 89 89 LYS H H 8.429 0.030 1 928 89 89 LYS HA H 4.645 0.030 1 929 89 89 LYS HB2 H 1.527 0.030 2 930 89 89 LYS HB3 H 1.459 0.030 2 931 89 89 LYS HD2 H 1.640 0.030 1 932 89 89 LYS HD3 H 1.640 0.030 1 933 89 89 LYS HE2 H 2.792 0.030 1 934 89 89 LYS HE3 H 2.792 0.030 1 935 89 89 LYS HG2 H 1.178 0.030 2 936 89 89 LYS HG3 H 1.285 0.030 2 937 89 89 LYS C C 174.419 0.300 1 938 89 89 LYS CA C 53.885 0.300 1 939 89 89 LYS CB C 36.564 0.300 1 940 89 89 LYS CD C 30.319 0.300 1 941 89 89 LYS CE C 42.126 0.300 1 942 89 89 LYS CG C 24.149 0.300 1 943 89 89 LYS N N 122.099 0.300 1 944 90 90 ALA H H 9.618 0.030 1 945 90 90 ALA HA H 4.850 0.030 1 946 90 90 ALA HB H 1.199 0.030 1 947 90 90 ALA C C 175.916 0.300 1 948 90 90 ALA CA C 50.119 0.300 1 949 90 90 ALA CB C 21.400 0.300 1 950 90 90 ALA N N 124.661 0.300 1 951 91 91 PHE H H 7.935 0.030 1 952 91 91 PHE HA H 5.325 0.030 1 953 91 91 PHE HB2 H 3.172 0.030 2 954 91 91 PHE HB3 H 2.601 0.030 2 955 91 91 PHE HD1 H 6.706 0.030 1 956 91 91 PHE HD2 H 6.706 0.030 1 957 91 91 PHE HE1 H 7.111 0.030 1 958 91 91 PHE HE2 H 7.111 0.030 1 959 91 91 PHE HZ H 7.180 0.030 1 960 91 91 PHE C C 173.195 0.300 1 961 91 91 PHE CA C 55.960 0.300 1 962 91 91 PHE CB C 43.530 0.300 1 963 91 91 PHE CD1 C 132.484 0.300 1 964 91 91 PHE CD2 C 132.484 0.300 1 965 91 91 PHE CE1 C 130.726 0.300 1 966 91 91 PHE CE2 C 130.726 0.300 1 967 91 91 PHE CZ C 129.669 0.300 1 968 91 91 PHE N N 113.753 0.300 1 969 92 92 ASN H H 9.193 0.030 1 970 92 92 ASN HA H 4.157 0.030 1 971 92 92 ASN HB2 H 3.764 0.030 2 972 92 92 ASN HB3 H 3.296 0.030 2 973 92 92 ASN HD21 H 8.059 0.030 2 974 92 92 ASN HD22 H 8.304 0.030 2 975 92 92 ASN C C 175.829 0.300 1 976 92 92 ASN CA C 52.512 0.300 1 977 92 92 ASN CB C 38.625 0.300 1 978 92 92 ASN N N 120.779 0.300 1 979 92 92 ASN ND2 N 109.998 0.300 1 980 93 93 ASN H H 10.318 0.030 1 981 93 93 ASN HA H 4.491 0.030 1 982 93 93 ASN HB2 H 2.880 0.030 2 983 93 93 ASN HB3 H 2.563 0.030 2 984 93 93 ASN HD21 H 6.794 0.030 2 985 93 93 ASN HD22 H 7.469 0.030 2 986 93 93 ASN C C 176.848 0.300 1 987 93 93 ASN CA C 55.518 0.300 1 988 93 93 ASN CB C 37.320 0.300 1 989 93 93 ASN N N 117.566 0.300 1 990 93 93 ASN ND2 N 110.275 0.300 1 991 94 94 ALA H H 8.351 0.030 1 992 94 94 ALA HA H 4.246 0.030 1 993 94 94 ALA HB H 1.146 0.030 1 994 94 94 ALA C C 177.667 0.300 1 995 94 94 ALA CA C 53.327 0.300 1 996 94 94 ALA CB C 17.261 0.300 1 997 94 94 ALA N N 121.438 0.300 1 998 95 95 GLY H H 7.744 0.030 1 999 95 95 GLY HA2 H 3.817 0.030 2 1000 95 95 GLY HA3 H 4.467 0.030 2 1001 95 95 GLY C C 171.718 0.300 1 1002 95 95 GLY CA C 44.185 0.300 1 1003 95 95 GLY N N 105.981 0.300 1 1004 96 96 GLU H H 8.366 0.030 1 1005 96 96 GLU HA H 4.488 0.030 1 1006 96 96 GLU HB2 H 1.943 0.030 2 1007 96 96 GLU HB3 H 1.895 0.030 2 1008 96 96 GLU HG2 H 2.285 0.030 2 1009 96 96 GLU HG3 H 2.011 0.030 2 1010 96 96 GLU C C 176.469 0.300 1 1011 96 96 GLU CA C 55.396 0.300 1 1012 96 96 GLU CB C 31.500 0.300 1 1013 96 96 GLU CG C 36.076 0.300 1 1014 96 96 GLU N N 117.837 0.300 1 1015 97 97 GLY H H 8.745 0.030 1 1016 97 97 GLY HA2 H 4.213 0.030 2 1017 97 97 GLY HA3 H 3.975 0.030 2 1018 97 97 GLY C C 173.315 0.300 1 1019 97 97 GLY CA C 44.490 0.300 1 1020 97 97 GLY N N 108.910 0.300 1 1021 98 98 VAL H H 7.945 0.030 1 1022 98 98 VAL HA H 4.181 0.030 1 1023 98 98 VAL HB H 1.942 0.030 1 1024 98 98 VAL HG1 H 1.109 0.030 1 1025 98 98 VAL HG2 H 1.099 0.030 1 1026 98 98 VAL C C 175.759 0.300 1 1027 98 98 VAL CA C 60.332 0.300 1 1028 98 98 VAL CB C 32.977 0.300 1 1029 98 98 VAL CG1 C 21.302 0.300 2 1030 98 98 VAL CG2 C 21.354 0.300 2 1031 98 98 VAL N N 118.393 0.300 1 1032 99 99 PRO HA H 4.984 0.030 1 1033 99 99 PRO HB2 H 1.591 0.030 2 1034 99 99 PRO HB3 H 1.067 0.030 2 1035 99 99 PRO HD2 H 3.782 0.030 1 1036 99 99 PRO HD3 H 3.782 0.030 1 1037 99 99 PRO HG2 H 1.964 0.030 2 1038 99 99 PRO HG3 H 1.899 0.030 2 1039 99 99 PRO C C 178.029 0.300 1 1040 99 99 PRO CA C 62.084 0.300 1 1041 99 99 PRO CB C 32.451 0.300 1 1042 99 99 PRO CD C 50.795 0.300 1 1043 99 99 PRO CG C 26.765 0.300 1 1044 100 100 LEU H H 8.405 0.030 1 1045 100 100 LEU HA H 4.529 0.030 1 1046 100 100 LEU HB2 H 1.545 0.030 2 1047 100 100 LEU HB3 H 1.324 0.030 2 1048 100 100 LEU HD1 H 0.872 0.030 1 1049 100 100 LEU HD2 H 0.807 0.030 1 1050 100 100 LEU HG H 1.506 0.030 1 1051 100 100 LEU C C 174.988 0.300 1 1052 100 100 LEU CA C 54.056 0.300 1 1053 100 100 LEU CB C 46.158 0.300 1 1054 100 100 LEU CD1 C 23.985 0.300 2 1055 100 100 LEU CD2 C 25.447 0.300 2 1056 100 100 LEU CG C 27.329 0.300 1 1057 100 100 LEU N N 119.076 0.300 1 1058 101 101 TYR H H 8.243 0.030 1 1059 101 101 TYR HA H 5.678 0.030 1 1060 101 101 TYR HB2 H 2.911 0.030 2 1061 101 101 TYR HB3 H 2.635 0.030 2 1062 101 101 TYR HD1 H 6.982 0.030 1 1063 101 101 TYR HD2 H 6.982 0.030 1 1064 101 101 TYR HE1 H 6.620 0.030 1 1065 101 101 TYR HE2 H 6.620 0.030 1 1066 101 101 TYR C C 176.256 0.300 1 1067 101 101 TYR CA C 56.245 0.300 1 1068 101 101 TYR CB C 41.780 0.300 1 1069 101 101 TYR CD1 C 132.937 0.300 1 1070 101 101 TYR CD2 C 132.937 0.300 1 1071 101 101 TYR CE1 C 117.589 0.300 1 1072 101 101 TYR CE2 C 117.589 0.300 1 1073 101 101 TYR N N 118.105 0.300 1 1074 102 102 GLU H H 9.204 0.030 1 1075 102 102 GLU HA H 4.701 0.030 1 1076 102 102 GLU HB2 H 1.877 0.030 2 1077 102 102 GLU HB3 H 1.575 0.030 2 1078 102 102 GLU HG2 H 2.500 0.030 2 1079 102 102 GLU HG3 H 2.299 0.030 2 1080 102 102 GLU C C 174.868 0.300 1 1081 102 102 GLU CA C 55.061 0.300 1 1082 102 102 GLU CB C 36.340 0.300 1 1083 102 102 GLU CG C 37.087 0.300 1 1084 102 102 GLU N N 122.397 0.300 1 1085 103 103 SER H H 9.228 0.030 1 1086 103 103 SER HA H 5.307 0.030 1 1087 103 103 SER HB2 H 3.876 0.030 2 1088 103 103 SER HB3 H 3.814 0.030 2 1089 103 103 SER C C 172.851 0.300 1 1090 103 103 SER CA C 57.446 0.300 1 1091 103 103 SER CB C 65.904 0.300 1 1092 103 103 SER N N 116.397 0.300 1 1093 104 104 ALA H H 8.928 0.030 1 1094 104 104 ALA HA H 4.654 0.030 1 1095 104 104 ALA HB H 1.200 0.030 1 1096 104 104 ALA C C 174.625 0.300 1 1097 104 104 ALA CA C 51.699 0.300 1 1098 104 104 ALA CB C 22.702 0.300 1 1099 104 104 ALA N N 122.706 0.300 1 1100 105 105 THR H H 8.603 0.030 1 1101 105 105 THR HA H 5.588 0.030 1 1102 105 105 THR HB H 3.865 0.030 1 1103 105 105 THR HG2 H 1.136 0.030 1 1104 105 105 THR C C 175.693 0.300 1 1105 105 105 THR CA C 60.357 0.300 1 1106 105 105 THR CB C 70.367 0.300 1 1107 105 105 THR CG2 C 21.051 0.300 1 1108 105 105 THR N N 119.116 0.300 1 1109 106 106 THR H H 9.374 0.030 1 1110 106 106 THR HA H 4.282 0.030 1 1111 106 106 THR HB H 4.874 0.030 1 1112 106 106 THR HG2 H 1.066 0.030 1 1113 106 106 THR C C 175.839 0.300 1 1114 106 106 THR CA C 61.679 0.300 1 1115 106 106 THR CB C 69.384 0.300 1 1116 106 106 THR CG2 C 23.871 0.300 1 1117 106 106 THR N N 117.120 0.300 1 1118 107 107 ARG H H 7.858 0.030 1 1119 107 107 ARG HA H 4.199 0.030 1 1120 107 107 ARG HB2 H 2.056 0.030 2 1121 107 107 ARG HB3 H 1.436 0.030 2 1122 107 107 ARG HD2 H 3.207 0.030 1 1123 107 107 ARG HD3 H 3.207 0.030 1 1124 107 107 ARG HG2 H 1.605 0.030 1 1125 107 107 ARG HG3 H 1.605 0.030 1 1126 107 107 ARG C C 175.623 0.300 1 1127 107 107 ARG CA C 55.722 0.300 1 1128 107 107 ARG CB C 31.378 0.300 1 1129 107 107 ARG CD C 43.371 0.300 1 1130 107 107 ARG CG C 27.871 0.300 1 1131 107 107 ARG N N 119.345 0.300 1 1132 108 108 SER H H 8.252 0.030 1 1133 108 108 SER HB2 H 3.873 0.030 2 1134 108 108 SER C C 175.363 0.300 1 1135 108 108 SER CA C 56.822 0.300 1 1136 108 108 SER CB C 64.381 0.300 1 1137 108 108 SER N N 113.630 0.300 1 1138 109 109 ILE H H 8.490 0.030 1 1139 109 109 ILE HA H 4.212 0.030 1 1140 109 109 ILE HB H 1.888 0.030 1 1141 109 109 ILE HD1 H 0.903 0.030 1 1142 109 109 ILE HG12 H 1.502 0.030 2 1143 109 109 ILE HG13 H 1.223 0.030 2 1144 109 109 ILE HG2 H 0.946 0.030 1 1145 109 109 ILE C C 176.637 0.300 1 1146 109 109 ILE CA C 61.972 0.300 1 1147 109 109 ILE CB C 38.857 0.300 1 1148 109 109 ILE CD1 C 13.460 0.300 1 1149 109 109 ILE CG1 C 27.613 0.300 1 1150 109 109 ILE CG2 C 17.653 0.300 1 1151 109 109 ILE N N 122.301 0.300 1 1152 110 110 THR H H 8.205 0.030 1 1153 110 110 THR HA H 4.412 0.030 1 1154 110 110 THR HB H 4.258 0.030 1 1155 110 110 THR HG2 H 1.182 0.030 1 1156 110 110 THR C C 174.482 0.300 1 1157 110 110 THR CA C 61.583 0.300 1 1158 110 110 THR CB C 69.767 0.300 1 1159 110 110 THR CG2 C 21.633 0.300 1 1160 110 110 THR N N 117.055 0.300 1 1161 111 111 SER H H 8.236 0.030 1 1162 111 111 SER CA C 58.433 0.300 1 1163 111 111 SER CB C 64.168 0.300 1 1164 111 111 SER N N 118.354 0.300 1 1165 113 113 PRO HA H 4.467 0.030 1 1166 113 113 PRO HB2 H 2.282 0.030 2 1167 113 113 PRO HB3 H 1.958 0.030 2 1168 113 113 PRO C C 177.431 0.300 1 1169 113 113 PRO CA C 63.282 0.300 1 1170 113 113 PRO CB C 32.158 0.300 1 1171 113 113 PRO CD C 49.825 0.300 1 1172 113 113 PRO CG C 27.002 0.300 1 1173 114 114 SER H H 8.541 0.030 1 1174 114 114 SER C C 174.687 0.300 1 1175 114 114 SER CA C 58.373 0.300 1 1176 114 114 SER CB C 63.999 0.300 1 1177 114 114 SER N N 116.409 0.300 1 stop_ save_