data_11292 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the fibronectin type-III domain of human protein tyrosine phosphatase, receptor type, D isoform 4 variant ; _BMRB_accession_number 11292 _BMRB_flat_file_name bmr11292.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Yoneyama M. . . 2 Saito K. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 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" 605 "13C chemical shifts" 443 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the fibronectin type-III domain of human protein tyrosine phosphatase, receptor type, D isoform 4 variant ; _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 Yoneyama M. . . 2 Saito K. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 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 'Receptor-type tyrosine-protein phosphatase delta' _Enzyme_commission_number E.C.3.1.3.48 loop_ _Mol_system_component_name _Mol_label 'Fibronectin type-III 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 'Fibronectin type-III domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GSSGSSGDIQVITQTGVPGQ PLNFKAEPESETSILLSWTP PRSDTIANYELVYKDGEHGE EQRITIEPGTSYRLQGLKPN SLYYFRLAARSPQGLGASTA EISARTMQSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 ILE 10 GLN 11 VAL 12 ILE 13 THR 14 GLN 15 THR 16 GLY 17 VAL 18 PRO 19 GLY 20 GLN 21 PRO 22 LEU 23 ASN 24 PHE 25 LYS 26 ALA 27 GLU 28 PRO 29 GLU 30 SER 31 GLU 32 THR 33 SER 34 ILE 35 LEU 36 LEU 37 SER 38 TRP 39 THR 40 PRO 41 PRO 42 ARG 43 SER 44 ASP 45 THR 46 ILE 47 ALA 48 ASN 49 TYR 50 GLU 51 LEU 52 VAL 53 TYR 54 LYS 55 ASP 56 GLY 57 GLU 58 HIS 59 GLY 60 GLU 61 GLU 62 GLN 63 ARG 64 ILE 65 THR 66 ILE 67 GLU 68 PRO 69 GLY 70 THR 71 SER 72 TYR 73 ARG 74 LEU 75 GLN 76 GLY 77 LEU 78 LYS 79 PRO 80 ASN 81 SER 82 LEU 83 TYR 84 TYR 85 PHE 86 ARG 87 LEU 88 ALA 89 ALA 90 ARG 91 SER 92 PRO 93 GLN 94 GLY 95 LEU 96 GLY 97 ALA 98 SER 99 THR 100 ALA 101 GLU 102 ILE 103 SER 104 ALA 105 ARG 106 THR 107 MET 108 GLN 109 SER 110 SER 111 GLY 112 PRO 113 SER 114 SER 115 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1X5Z "Solution Structure Of The Fibronectin Type-Iii Domain Of Human Protein Tyrosine Phosphatase, Receptor Type, D Isoform 4 Variant" 100.00 115 100.00 100.00 2.95e-75 DBJ BAD92106 "protein tyrosine phosphatase, receptor type, D isoform 4 precursor variant [Homo sapiens]" 90.43 1478 99.04 99.04 1.74e-60 GB AAI06714 "PTPRD protein [Homo sapiens]" 90.43 1505 99.04 99.04 1.59e-60 GB AAI06715 "PTPRD protein [Homo sapiens]" 90.43 1506 99.04 99.04 1.88e-60 GB AAI06716 "PTPRD protein [Homo sapiens]" 90.43 1505 99.04 99.04 2.03e-60 GB AAI06717 "PTPRD protein [Homo sapiens]" 91.30 1496 98.10 99.05 1.15e-60 GB EAW58721 "protein tyrosine phosphatase, receptor type, D, isoform CRA_d [Homo sapiens]" 90.43 1254 99.04 99.04 9.74e-61 REF NP_001035802 "receptor-type tyrosine-protein phosphatase delta isoform 5 precursor [Homo sapiens]" 90.43 1502 99.04 99.04 1.91e-60 REF NP_001164496 "receptor-type tyrosine-protein phosphatase delta isoform 6 precursor [Homo sapiens]" 90.43 1505 99.04 99.04 1.59e-60 REF NP_569075 "receptor-type tyrosine-protein phosphatase delta isoform 2 precursor [Homo sapiens]" 90.43 1505 99.04 99.04 2.03e-60 REF NP_569076 "receptor-type tyrosine-protein phosphatase delta isoform 3 precursor [Homo sapiens]" 90.43 1506 99.04 99.04 1.88e-60 REF NP_569077 "receptor-type tyrosine-protein phosphatase delta isoform 4 precursor [Homo sapiens]" 91.30 1496 98.10 99.05 1.15e-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 . P050131-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.37mM fn3 domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.37 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _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 0.9295 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 refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # 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 298 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 $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Fibronectin type-III 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 ASP HA H 4.622 0.030 1 2 8 8 ASP HB2 H 2.693 0.030 2 3 8 8 ASP HB3 H 2.569 0.030 2 4 8 8 ASP C C 176.292 0.300 1 5 8 8 ASP CA C 54.480 0.300 1 6 8 8 ASP CB C 41.192 0.300 1 7 9 9 ILE H H 8.072 0.030 1 8 9 9 ILE HA H 4.145 0.030 1 9 9 9 ILE HB H 1.867 0.030 1 10 9 9 ILE HD1 H 0.887 0.030 1 11 9 9 ILE HG12 H 1.469 0.030 2 12 9 9 ILE HG13 H 1.197 0.030 2 13 9 9 ILE HG2 H 0.887 0.030 1 14 9 9 ILE C C 176.264 0.300 1 15 9 9 ILE CA C 61.208 0.300 1 16 9 9 ILE CB C 38.720 0.300 1 17 9 9 ILE CD1 C 12.942 0.300 1 18 9 9 ILE CG1 C 27.202 0.300 1 19 9 9 ILE CG2 C 17.558 0.300 1 20 9 9 ILE N N 120.928 0.300 1 21 10 10 GLN H H 8.457 0.030 1 22 10 10 GLN HA H 4.356 0.030 1 23 10 10 GLN HB2 H 2.070 0.030 2 24 10 10 GLN HB3 H 1.990 0.030 2 25 10 10 GLN HG2 H 2.361 0.030 1 26 10 10 GLN HG3 H 2.361 0.030 1 27 10 10 GLN C C 175.805 0.300 1 28 10 10 GLN CA C 55.705 0.300 1 29 10 10 GLN CB C 29.446 0.300 1 30 10 10 GLN CG C 33.797 0.300 1 31 10 10 GLN N N 124.703 0.300 1 32 11 11 VAL H H 8.235 0.030 1 33 11 11 VAL HA H 4.086 0.030 1 34 11 11 VAL HB H 2.036 0.030 1 35 11 11 VAL HG1 H 0.930 0.030 1 36 11 11 VAL HG2 H 0.897 0.030 1 37 11 11 VAL C C 176.172 0.300 1 38 11 11 VAL CA C 62.441 0.300 1 39 11 11 VAL CB C 32.746 0.300 1 40 11 11 VAL CG1 C 20.680 0.300 2 41 11 11 VAL CG2 C 21.140 0.300 2 42 11 11 VAL N N 122.627 0.300 1 43 12 12 ILE H H 8.323 0.030 1 44 12 12 ILE HA H 4.245 0.030 1 45 12 12 ILE HB H 1.862 0.030 1 46 12 12 ILE HD1 H 0.887 0.030 1 47 12 12 ILE HG12 H 1.451 0.030 2 48 12 12 ILE HG13 H 1.211 0.030 2 49 12 12 ILE HG2 H 0.893 0.030 1 50 12 12 ILE C C 176.480 0.300 1 51 12 12 ILE CA C 60.984 0.300 1 52 12 12 ILE CB C 38.617 0.300 1 53 12 12 ILE CD1 C 12.694 0.300 1 54 12 12 ILE CG1 C 27.202 0.300 1 55 12 12 ILE CG2 C 17.442 0.300 1 56 12 12 ILE N N 125.380 0.300 1 57 13 13 THR H H 8.264 0.030 1 58 13 13 THR HA H 4.316 0.030 1 59 13 13 THR HB H 4.209 0.030 1 60 13 13 THR HG2 H 1.193 0.030 1 61 13 13 THR C C 174.434 0.300 1 62 13 13 THR CA C 62.038 0.300 1 63 13 13 THR CB C 69.838 0.300 1 64 13 13 THR CG2 C 21.625 0.300 1 65 13 13 THR N N 119.075 0.300 1 66 14 14 GLN H H 8.469 0.030 1 67 14 14 GLN HA H 4.444 0.030 1 68 14 14 GLN HB2 H 2.120 0.030 2 69 14 14 GLN HB3 H 1.980 0.030 2 70 14 14 GLN HG2 H 2.395 0.030 1 71 14 14 GLN HG3 H 2.395 0.030 1 72 14 14 GLN C C 176.055 0.300 1 73 14 14 GLN CA C 55.725 0.300 1 74 14 14 GLN CB C 29.490 0.300 1 75 14 14 GLN CG C 33.797 0.300 1 76 14 14 GLN N N 123.296 0.300 1 77 15 15 THR H H 8.239 0.030 1 78 15 15 THR HA H 4.340 0.030 1 79 15 15 THR HB H 4.163 0.030 1 80 15 15 THR HG2 H 1.187 0.030 1 81 15 15 THR CA C 61.826 0.300 1 82 15 15 THR CB C 69.811 0.300 1 83 15 15 THR CG2 C 21.597 0.300 1 84 15 15 THR N N 115.162 0.300 1 85 16 16 GLY H H 8.394 0.030 1 86 16 16 GLY HA2 H 4.002 0.030 2 87 16 16 GLY HA3 H 3.917 0.030 2 88 16 16 GLY CA C 45.106 0.300 1 89 16 16 GLY N N 110.757 0.300 1 90 17 17 VAL H H 7.762 0.030 1 91 17 17 VAL HA H 4.252 0.030 1 92 17 17 VAL HB H 1.866 0.030 1 93 17 17 VAL HG1 H 0.706 0.030 1 94 17 17 VAL HG2 H 0.802 0.030 1 95 17 17 VAL CA C 59.853 0.300 1 96 17 17 VAL CB C 31.250 0.300 1 97 17 17 VAL CG1 C 21.229 0.300 2 98 17 17 VAL CG2 C 19.172 0.300 2 99 17 17 VAL N N 117.664 0.300 1 100 18 18 PRO HA H 4.386 0.030 1 101 18 18 PRO HB2 H 2.035 0.030 2 102 18 18 PRO HB3 H 1.975 0.030 2 103 18 18 PRO HD2 H 3.392 0.030 2 104 18 18 PRO HD3 H 3.907 0.030 2 105 18 18 PRO HG2 H 1.682 0.030 2 106 18 18 PRO HG3 H 1.736 0.030 2 107 18 18 PRO CA C 63.116 0.300 1 108 18 18 PRO CB C 33.265 0.300 1 109 18 18 PRO CD C 50.694 0.300 1 110 18 18 PRO CG C 28.048 0.300 1 111 19 19 GLY H H 8.271 0.030 1 112 19 19 GLY HA2 H 4.203 0.030 2 113 19 19 GLY HA3 H 3.829 0.030 2 114 19 19 GLY CA C 43.788 0.300 1 115 19 19 GLY N N 105.768 0.300 1 116 20 20 GLN H H 8.356 0.030 1 117 20 20 GLN HA H 4.588 0.030 1 118 20 20 GLN HB2 H 1.888 0.030 2 119 20 20 GLN HB3 H 1.802 0.030 2 120 20 20 GLN HE21 H 7.643 0.030 2 121 20 20 GLN HE22 H 7.059 0.030 2 122 20 20 GLN HG2 H 2.335 0.030 2 123 20 20 GLN HG3 H 2.213 0.030 2 124 20 20 GLN CA C 54.189 0.300 1 125 20 20 GLN CB C 29.513 0.300 1 126 20 20 GLN CG C 33.234 0.300 1 127 20 20 GLN N N 117.961 0.300 1 128 20 20 GLN NE2 N 112.004 0.300 1 129 21 21 PRO HA H 4.339 0.030 1 130 21 21 PRO HB2 H 2.057 0.030 2 131 21 21 PRO HB3 H 1.315 0.030 2 132 21 21 PRO HD2 H 4.508 0.030 2 133 21 21 PRO HD3 H 3.435 0.030 2 134 21 21 PRO HG2 H 1.544 0.030 2 135 21 21 PRO HG3 H 1.412 0.030 2 136 21 21 PRO C C 174.605 0.300 1 137 21 21 PRO CA C 63.067 0.300 1 138 21 21 PRO CB C 31.693 0.300 1 139 21 21 PRO CD C 49.847 0.300 1 140 21 21 PRO CG C 28.259 0.300 1 141 22 22 LEU H H 8.360 0.030 1 142 22 22 LEU HA H 4.733 0.030 1 143 22 22 LEU HB2 H 1.626 0.030 2 144 22 22 LEU HB3 H 1.530 0.030 2 145 22 22 LEU HD1 H 0.959 0.030 1 146 22 22 LEU HD2 H 0.929 0.030 1 147 22 22 LEU HG H 1.773 0.030 1 148 22 22 LEU C C 176.452 0.300 1 149 22 22 LEU CA C 53.915 0.300 1 150 22 22 LEU CB C 44.956 0.300 1 151 22 22 LEU CD1 C 25.340 0.300 2 152 22 22 LEU CD2 C 23.581 0.300 2 153 22 22 LEU CG C 27.305 0.300 1 154 22 22 LEU N N 121.826 0.300 1 155 23 23 ASN H H 9.010 0.030 1 156 23 23 ASN HA H 4.346 0.030 1 157 23 23 ASN HB2 H 2.927 0.030 2 158 23 23 ASN HB3 H 2.808 0.030 2 159 23 23 ASN HD21 H 7.666 0.030 2 160 23 23 ASN HD22 H 6.952 0.030 2 161 23 23 ASN C C 174.030 0.300 1 162 23 23 ASN CA C 53.949 0.300 1 163 23 23 ASN CB C 37.647 0.300 1 164 23 23 ASN N N 115.818 0.300 1 165 23 23 ASN ND2 N 113.675 0.300 1 166 24 24 PHE H H 8.346 0.030 1 167 24 24 PHE HA H 5.598 0.030 1 168 24 24 PHE HB2 H 3.188 0.030 2 169 24 24 PHE HB3 H 2.957 0.030 2 170 24 24 PHE HD1 H 7.553 0.030 1 171 24 24 PHE HD2 H 7.553 0.030 1 172 24 24 PHE HE1 H 7.065 0.030 1 173 24 24 PHE HE2 H 7.065 0.030 1 174 24 24 PHE HZ H 6.688 0.030 1 175 24 24 PHE C C 175.363 0.300 1 176 24 24 PHE CA C 55.991 0.300 1 177 24 24 PHE CB C 39.838 0.300 1 178 24 24 PHE CD1 C 132.231 0.300 1 179 24 24 PHE CD2 C 132.231 0.300 1 180 24 24 PHE CE1 C 130.892 0.300 1 181 24 24 PHE CE2 C 130.892 0.300 1 182 24 24 PHE CZ C 128.342 0.300 1 183 24 24 PHE N N 118.754 0.300 1 184 25 25 LYS H H 9.213 0.030 1 185 25 25 LYS HA H 4.309 0.030 1 186 25 25 LYS HB2 H 1.632 0.030 2 187 25 25 LYS HB3 H 1.547 0.030 2 188 25 25 LYS HD2 H 1.536 0.030 1 189 25 25 LYS HD3 H 1.536 0.030 1 190 25 25 LYS HE2 H 2.855 0.030 1 191 25 25 LYS HE3 H 2.855 0.030 1 192 25 25 LYS HG2 H 1.310 0.030 2 193 25 25 LYS HG3 H 1.266 0.030 2 194 25 25 LYS C C 172.292 0.300 1 195 25 25 LYS CA C 55.369 0.300 1 196 25 25 LYS CB C 36.966 0.300 1 197 25 25 LYS CD C 29.361 0.300 1 198 25 25 LYS CE C 42.065 0.300 1 199 25 25 LYS CG C 24.340 0.300 1 200 25 25 LYS N N 129.671 0.300 1 201 26 26 ALA H H 7.989 0.030 1 202 26 26 ALA HA H 4.819 0.030 1 203 26 26 ALA HB H 0.588 0.030 1 204 26 26 ALA C C 175.352 0.300 1 205 26 26 ALA CA C 50.088 0.300 1 206 26 26 ALA CB C 22.596 0.300 1 207 26 26 ALA N N 122.150 0.300 1 208 27 27 GLU H H 8.787 0.030 1 209 27 27 GLU HA H 4.959 0.030 1 210 27 27 GLU HB2 H 1.954 0.030 2 211 27 27 GLU HB3 H 1.837 0.030 2 212 27 27 GLU HG2 H 2.119 0.030 2 213 27 27 GLU HG3 H 2.076 0.030 2 214 27 27 GLU C C 173.262 0.300 1 215 27 27 GLU CA C 52.201 0.300 1 216 27 27 GLU CB C 32.803 0.300 1 217 27 27 GLU CG C 35.858 0.300 1 218 27 27 GLU N N 121.768 0.300 1 219 28 28 PRO HA H 4.431 0.030 1 220 28 28 PRO HB2 H 2.514 0.030 2 221 28 28 PRO HB3 H 1.958 0.030 2 222 28 28 PRO HD2 H 3.891 0.030 2 223 28 28 PRO HD3 H 3.788 0.030 2 224 28 28 PRO HG2 H 2.320 0.030 2 225 28 28 PRO HG3 H 2.173 0.030 2 226 28 28 PRO C C 175.714 0.300 1 227 28 28 PRO CA C 63.552 0.300 1 228 28 28 PRO CB C 32.508 0.300 1 229 28 28 PRO CD C 50.968 0.300 1 230 28 28 PRO CG C 28.404 0.300 1 231 29 29 GLU H H 8.450 0.030 1 232 29 29 GLU HA H 4.532 0.030 1 233 29 29 GLU HB2 H 1.959 0.030 2 234 29 29 GLU HB3 H 1.746 0.030 2 235 29 29 GLU HG2 H 2.157 0.030 2 236 29 29 GLU HG3 H 1.984 0.030 2 237 29 29 GLU C C 175.370 0.300 1 238 29 29 GLU CA C 56.405 0.300 1 239 29 29 GLU CB C 32.372 0.300 1 240 29 29 GLU CG C 37.172 0.300 1 241 29 29 GLU N N 122.707 0.300 1 242 30 30 SER H H 8.309 0.030 1 243 30 30 SER HA H 5.019 0.030 1 244 30 30 SER HB2 H 4.243 0.030 2 245 30 30 SER HB3 H 3.965 0.030 2 246 30 30 SER C C 174.543 0.300 1 247 30 30 SER CA C 58.141 0.300 1 248 30 30 SER CB C 65.439 0.300 1 249 30 30 SER N N 113.859 0.300 1 250 31 31 GLU H H 9.741 0.030 1 251 31 31 GLU HA H 4.589 0.030 1 252 31 31 GLU HB2 H 2.069 0.030 2 253 31 31 GLU HB3 H 1.954 0.030 2 254 31 31 GLU HG2 H 2.345 0.030 2 255 31 31 GLU HG3 H 2.271 0.030 2 256 31 31 GLU C C 174.510 0.300 1 257 31 31 GLU CA C 58.395 0.300 1 258 31 31 GLU CB C 30.061 0.300 1 259 31 31 GLU CG C 36.639 0.300 1 260 31 31 GLU N N 119.639 0.300 1 261 32 32 THR H H 7.961 0.030 1 262 32 32 THR HA H 4.528 0.030 1 263 32 32 THR HB H 4.548 0.030 1 264 32 32 THR HG2 H 1.122 0.030 1 265 32 32 THR C C 174.362 0.300 1 266 32 32 THR CA C 59.818 0.300 1 267 32 32 THR CB C 71.241 0.300 1 268 32 32 THR CG2 C 21.144 0.300 1 269 32 32 THR N N 101.212 0.300 1 270 33 33 SER H H 7.137 0.030 1 271 33 33 SER HA H 5.639 0.030 1 272 33 33 SER HB2 H 3.690 0.030 2 273 33 33 SER HB3 H 3.513 0.030 2 274 33 33 SER C C 173.489 0.300 1 275 33 33 SER CA C 56.888 0.300 1 276 33 33 SER CB C 66.515 0.300 1 277 33 33 SER N N 113.827 0.300 1 278 34 34 ILE H H 8.398 0.030 1 279 34 34 ILE HA H 4.204 0.030 1 280 34 34 ILE HB H 1.177 0.030 1 281 34 34 ILE HD1 H 0.808 0.030 1 282 34 34 ILE HG12 H 1.487 0.030 2 283 34 34 ILE HG13 H 0.719 0.030 2 284 34 34 ILE HG2 H 0.385 0.030 1 285 34 34 ILE C C 172.306 0.300 1 286 34 34 ILE CA C 60.074 0.300 1 287 34 34 ILE CB C 43.543 0.300 1 288 34 34 ILE CD1 C 14.143 0.300 1 289 34 34 ILE CG1 C 29.495 0.300 1 290 34 34 ILE CG2 C 17.832 0.300 1 291 34 34 ILE N N 124.420 0.300 1 292 35 35 LEU H H 8.752 0.030 1 293 35 35 LEU HA H 4.638 0.030 1 294 35 35 LEU HB2 H 1.741 0.030 2 295 35 35 LEU HB3 H 1.282 0.030 2 296 35 35 LEU HD1 H 0.693 0.030 1 297 35 35 LEU HD2 H 0.729 0.030 1 298 35 35 LEU HG H 1.280 0.030 1 299 35 35 LEU C C 175.703 0.300 1 300 35 35 LEU CA C 53.935 0.300 1 301 35 35 LEU CB C 43.510 0.300 1 302 35 35 LEU CD1 C 23.434 0.300 2 303 35 35 LEU CD2 C 24.852 0.300 2 304 35 35 LEU CG C 27.038 0.300 1 305 35 35 LEU N N 127.633 0.300 1 306 36 36 LEU H H 9.283 0.030 1 307 36 36 LEU HA H 5.405 0.030 1 308 36 36 LEU HB2 H 2.280 0.030 2 309 36 36 LEU HB3 H 1.774 0.030 2 310 36 36 LEU HD1 H 0.628 0.030 1 311 36 36 LEU HD2 H 0.092 0.030 1 312 36 36 LEU HG H 1.422 0.030 1 313 36 36 LEU C C 176.023 0.300 1 314 36 36 LEU CA C 53.161 0.300 1 315 36 36 LEU CB C 43.917 0.300 1 316 36 36 LEU CD1 C 26.724 0.300 2 317 36 36 LEU CD2 C 24.070 0.300 2 318 36 36 LEU CG C 27.724 0.300 1 319 36 36 LEU N N 130.475 0.300 1 320 37 37 SER H H 8.985 0.030 1 321 37 37 SER HA H 4.805 0.030 1 322 37 37 SER HB2 H 3.762 0.030 2 323 37 37 SER HB3 H 3.657 0.030 2 324 37 37 SER C C 172.798 0.300 1 325 37 37 SER CA C 58.272 0.300 1 326 37 37 SER CB C 66.009 0.300 1 327 37 37 SER N N 113.738 0.300 1 328 38 38 TRP H H 7.694 0.030 1 329 38 38 TRP HA H 5.024 0.030 1 330 38 38 TRP HB2 H 3.628 0.030 2 331 38 38 TRP HB3 H 2.979 0.030 2 332 38 38 TRP HD1 H 6.314 0.030 1 333 38 38 TRP HE1 H 8.561 0.030 1 334 38 38 TRP HE3 H 6.946 0.030 1 335 38 38 TRP HH2 H 6.459 0.030 1 336 38 38 TRP HZ2 H 6.267 0.030 1 337 38 38 TRP HZ3 H 6.512 0.030 1 338 38 38 TRP C C 173.772 0.300 1 339 38 38 TRP CA C 57.657 0.300 1 340 38 38 TRP CB C 29.828 0.300 1 341 38 38 TRP CD1 C 122.959 0.300 1 342 38 38 TRP CE3 C 119.914 0.300 1 343 38 38 TRP CH2 C 123.306 0.300 1 344 38 38 TRP CZ2 C 113.944 0.300 1 345 38 38 TRP CZ3 C 119.854 0.300 1 346 38 38 TRP N N 116.146 0.300 1 347 38 38 TRP NE1 N 128.490 0.300 1 348 39 39 THR H H 9.366 0.030 1 349 39 39 THR HA H 4.895 0.030 1 350 39 39 THR HB H 3.943 0.030 1 351 39 39 THR HG2 H 1.366 0.030 1 352 39 39 THR CA C 59.371 0.300 1 353 39 39 THR CB C 70.928 0.300 1 354 39 39 THR CG2 C 21.140 0.300 1 355 39 39 THR N N 116.341 0.300 1 356 40 40 PRO HA H 4.843 0.030 1 357 40 40 PRO HB2 H 1.937 0.030 2 358 40 40 PRO HB3 H 2.648 0.030 2 359 40 40 PRO HD2 H 4.021 0.030 2 360 40 40 PRO HD3 H 3.805 0.030 2 361 40 40 PRO HG2 H 2.231 0.030 2 362 40 40 PRO HG3 H 2.067 0.030 2 363 40 40 PRO CA C 61.758 0.300 1 364 40 40 PRO CB C 31.650 0.300 1 365 40 40 PRO CD C 51.990 0.300 1 366 40 40 PRO CG C 28.467 0.300 1 367 41 41 PRO HA H 4.440 0.030 1 368 41 41 PRO HB2 H 1.765 0.030 2 369 41 41 PRO HB3 H 2.005 0.030 2 370 41 41 PRO HD2 H 3.935 0.030 2 371 41 41 PRO HD3 H 3.560 0.030 2 372 41 41 PRO HG2 H 1.768 0.030 2 373 41 41 PRO HG3 H 1.913 0.030 2 374 41 41 PRO CA C 61.883 0.300 1 375 41 41 PRO CB C 31.990 0.300 1 376 41 41 PRO CD C 49.994 0.300 1 377 41 41 PRO CG C 27.174 0.300 1 378 42 42 ARG H H 8.434 0.030 1 379 42 42 ARG HA H 4.235 0.030 1 380 42 42 ARG HB2 H 1.880 0.030 2 381 42 42 ARG HB3 H 1.766 0.030 2 382 42 42 ARG HD2 H 3.217 0.030 1 383 42 42 ARG HD3 H 3.217 0.030 1 384 42 42 ARG HG2 H 1.705 0.030 2 385 42 42 ARG HG3 H 1.616 0.030 2 386 42 42 ARG CA C 56.522 0.300 1 387 42 42 ARG CB C 29.273 0.300 1 388 42 42 ARG CD C 43.377 0.300 1 389 42 42 ARG CG C 26.972 0.300 1 390 42 42 ARG N N 120.678 0.300 1 391 43 43 SER H H 7.971 0.030 1 392 43 43 SER HA H 4.441 0.030 1 393 43 43 SER HB2 H 3.820 0.030 2 394 43 43 SER HB3 H 3.488 0.030 2 395 43 43 SER CA C 58.402 0.300 1 396 43 43 SER CB C 64.262 0.300 1 397 43 43 SER N N 118.533 0.300 1 398 44 44 ASP HA H 4.791 0.030 1 399 44 44 ASP HB2 H 2.763 0.030 2 400 44 44 ASP HB3 H 2.632 0.030 2 401 44 44 ASP C C 176.598 0.300 1 402 44 44 ASP CA C 55.185 0.300 1 403 44 44 ASP CB C 41.835 0.300 1 404 45 45 THR H H 8.252 0.030 1 405 45 45 THR HA H 4.353 0.030 1 406 45 45 THR HB H 4.259 0.030 1 407 45 45 THR HG2 H 1.125 0.030 1 408 45 45 THR C C 173.920 0.300 1 409 45 45 THR CA C 61.241 0.300 1 410 45 45 THR CB C 69.618 0.300 1 411 45 45 THR CG2 C 21.807 0.300 1 412 45 45 THR N N 112.104 0.300 1 413 46 46 ILE H H 7.961 0.030 1 414 46 46 ILE HA H 3.816 0.030 1 415 46 46 ILE HB H 1.789 0.030 1 416 46 46 ILE HD1 H 0.818 0.030 1 417 46 46 ILE HG12 H 0.726 0.030 2 418 46 46 ILE HG13 H 1.522 0.030 2 419 46 46 ILE HG2 H 0.449 0.030 1 420 46 46 ILE C C 175.606 0.300 1 421 46 46 ILE CA C 61.642 0.300 1 422 46 46 ILE CB C 38.409 0.300 1 423 46 46 ILE CD1 C 13.257 0.300 1 424 46 46 ILE CG1 C 28.027 0.300 1 425 46 46 ILE CG2 C 17.393 0.300 1 426 46 46 ILE N N 123.411 0.300 1 427 47 47 ALA H H 9.276 0.030 1 428 47 47 ALA HA H 4.326 0.030 1 429 47 47 ALA HB H 1.203 0.030 1 430 47 47 ALA C C 177.226 0.300 1 431 47 47 ALA CA C 53.334 0.300 1 432 47 47 ALA CB C 20.269 0.300 1 433 47 47 ALA N N 130.946 0.300 1 434 48 48 ASN H H 7.761 0.030 1 435 48 48 ASN HA H 4.309 0.030 1 436 48 48 ASN HB2 H 3.346 0.030 2 437 48 48 ASN HB3 H 2.808 0.030 2 438 48 48 ASN HD21 H 7.071 0.030 2 439 48 48 ASN HD22 H 6.710 0.030 2 440 48 48 ASN C C 171.670 0.300 1 441 48 48 ASN CA C 53.210 0.300 1 442 48 48 ASN CB C 40.162 0.300 1 443 48 48 ASN N N 108.951 0.300 1 444 48 48 ASN ND2 N 112.592 0.300 1 445 49 49 TYR H H 9.121 0.030 1 446 49 49 TYR HA H 5.040 0.030 1 447 49 49 TYR HB2 H 2.411 0.030 2 448 49 49 TYR HB3 H 2.335 0.030 2 449 49 49 TYR HD1 H 6.522 0.030 1 450 49 49 TYR HD2 H 6.522 0.030 1 451 49 49 TYR HE1 H 6.705 0.030 1 452 49 49 TYR HE2 H 6.705 0.030 1 453 49 49 TYR C C 174.755 0.300 1 454 49 49 TYR CA C 56.660 0.300 1 455 49 49 TYR CB C 41.564 0.300 1 456 49 49 TYR CD1 C 132.337 0.300 1 457 49 49 TYR CD2 C 132.337 0.300 1 458 49 49 TYR CE1 C 117.625 0.300 1 459 49 49 TYR CE2 C 117.625 0.300 1 460 49 49 TYR N N 113.634 0.300 1 461 50 50 GLU H H 9.207 0.030 1 462 50 50 GLU HA H 4.952 0.030 1 463 50 50 GLU HB2 H 1.857 0.030 2 464 50 50 GLU HB3 H 1.644 0.030 2 465 50 50 GLU HG2 H 1.944 0.030 2 466 50 50 GLU HG3 H 1.894 0.030 2 467 50 50 GLU C C 174.484 0.300 1 468 50 50 GLU CA C 55.430 0.300 1 469 50 50 GLU CB C 32.289 0.300 1 470 50 50 GLU CG C 37.047 0.300 1 471 50 50 GLU N N 120.657 0.300 1 472 51 51 LEU H H 9.098 0.030 1 473 51 51 LEU HA H 4.983 0.030 1 474 51 51 LEU HB2 H 1.898 0.030 2 475 51 51 LEU HB3 H 0.982 0.030 2 476 51 51 LEU HD1 H 1.139 0.030 1 477 51 51 LEU HD2 H 0.870 0.030 1 478 51 51 LEU HG H 1.701 0.030 1 479 51 51 LEU C C 174.514 0.300 1 480 51 51 LEU CA C 53.334 0.300 1 481 51 51 LEU CB C 44.743 0.300 1 482 51 51 LEU CD1 C 24.605 0.300 2 483 51 51 LEU CD2 C 27.062 0.300 2 484 51 51 LEU CG C 27.928 0.300 1 485 51 51 LEU N N 130.459 0.300 1 486 52 52 VAL H H 8.963 0.030 1 487 52 52 VAL HA H 5.259 0.030 1 488 52 52 VAL HB H 1.844 0.030 1 489 52 52 VAL HG1 H 0.808 0.030 1 490 52 52 VAL HG2 H 0.868 0.030 1 491 52 52 VAL C C 175.531 0.300 1 492 52 52 VAL CA C 60.455 0.300 1 493 52 52 VAL CB C 33.690 0.300 1 494 52 52 VAL CG1 C 21.243 0.300 2 495 52 52 VAL CG2 C 21.394 0.300 2 496 52 52 VAL N N 126.932 0.300 1 497 53 53 TYR H H 9.356 0.030 1 498 53 53 TYR HA H 6.163 0.030 1 499 53 53 TYR HB2 H 2.951 0.030 2 500 53 53 TYR HB3 H 2.837 0.030 2 501 53 53 TYR HD1 H 6.825 0.030 1 502 53 53 TYR HD2 H 6.825 0.030 1 503 53 53 TYR HE1 H 6.641 0.030 1 504 53 53 TYR HE2 H 6.641 0.030 1 505 53 53 TYR C C 172.907 0.300 1 506 53 53 TYR CA C 54.698 0.300 1 507 53 53 TYR CB C 44.145 0.300 1 508 53 53 TYR CD1 C 132.839 0.300 1 509 53 53 TYR CD2 C 132.839 0.300 1 510 53 53 TYR CE1 C 118.275 0.300 1 511 53 53 TYR CE2 C 118.275 0.300 1 512 53 53 TYR N N 124.244 0.300 1 513 54 54 LYS H H 8.443 0.030 1 514 54 54 LYS HA H 4.735 0.030 1 515 54 54 LYS HB2 H 1.627 0.030 2 516 54 54 LYS HB3 H 1.310 0.030 2 517 54 54 LYS HD2 H 1.537 0.030 2 518 54 54 LYS HD3 H 1.380 0.030 2 519 54 54 LYS HE2 H 2.644 0.030 2 520 54 54 LYS HE3 H 2.558 0.030 2 521 54 54 LYS HG2 H 1.335 0.030 2 522 54 54 LYS HG3 H 1.241 0.030 2 523 54 54 LYS C C 174.176 0.300 1 524 54 54 LYS CA C 54.779 0.300 1 525 54 54 LYS CB C 37.154 0.300 1 526 54 54 LYS CD C 30.000 0.300 1 527 54 54 LYS CE C 42.069 0.300 1 528 54 54 LYS CG C 24.070 0.300 1 529 54 54 LYS N N 115.947 0.300 1 530 55 55 ASP H H 8.930 0.030 1 531 55 55 ASP HA H 4.214 0.030 1 532 55 55 ASP HB2 H 2.826 0.030 2 533 55 55 ASP HB3 H 2.505 0.030 2 534 55 55 ASP C C 175.720 0.300 1 535 55 55 ASP CA C 52.705 0.300 1 536 55 55 ASP CB C 40.195 0.300 1 537 55 55 ASP N N 121.983 0.300 1 538 56 56 GLY H H 7.961 0.030 1 539 56 56 GLY HA2 H 4.235 0.030 2 540 56 56 GLY HA3 H 3.669 0.030 2 541 56 56 GLY C C 172.980 0.300 1 542 56 56 GLY CA C 44.708 0.300 1 543 56 56 GLY N N 112.387 0.300 1 544 57 57 GLU H H 8.396 0.030 1 545 57 57 GLU HA H 3.044 0.030 1 546 57 57 GLU HB2 H 1.570 0.030 2 547 57 57 GLU HB3 H 1.380 0.030 2 548 57 57 GLU HG2 H 1.719 0.030 2 549 57 57 GLU HG3 H 1.643 0.030 2 550 57 57 GLU C C 177.624 0.300 1 551 57 57 GLU CA C 59.234 0.300 1 552 57 57 GLU CB C 29.647 0.300 1 553 57 57 GLU CG C 35.858 0.300 1 554 57 57 GLU N N 118.315 0.300 1 555 58 58 HIS H H 8.434 0.030 1 556 58 58 HIS HA H 4.890 0.030 1 557 58 58 HIS HB2 H 3.381 0.030 2 558 58 58 HIS HB3 H 2.874 0.030 2 559 58 58 HIS HD2 H 7.041 0.030 1 560 58 58 HIS C C 175.957 0.300 1 561 58 58 HIS CA C 54.197 0.300 1 562 58 58 HIS CB C 29.581 0.300 1 563 58 58 HIS CD2 C 119.782 0.300 1 564 58 58 HIS N N 113.969 0.300 1 565 59 59 GLY H H 7.192 0.030 1 566 59 59 GLY HA2 H 4.012 0.030 2 567 59 59 GLY HA3 H 3.802 0.030 2 568 59 59 GLY C C 172.739 0.300 1 569 59 59 GLY CA C 45.528 0.300 1 570 59 59 GLY N N 108.325 0.300 1 571 60 60 GLU H H 8.294 0.030 1 572 60 60 GLU HA H 4.128 0.030 1 573 60 60 GLU HB2 H 1.908 0.030 1 574 60 60 GLU HB3 H 1.908 0.030 1 575 60 60 GLU HG2 H 2.296 0.030 2 576 60 60 GLU HG3 H 2.223 0.030 2 577 60 60 GLU C C 177.610 0.300 1 578 60 60 GLU CA C 56.243 0.300 1 579 60 60 GLU CB C 30.230 0.300 1 580 60 60 GLU CG C 36.187 0.300 1 581 60 60 GLU N N 120.140 0.300 1 582 61 61 GLU H H 8.752 0.030 1 583 61 61 GLU HA H 4.010 0.030 1 584 61 61 GLU HB2 H 1.903 0.030 2 585 61 61 GLU HB3 H 1.629 0.030 2 586 61 61 GLU HG2 H 2.387 0.030 2 587 61 61 GLU HG3 H 1.840 0.030 2 588 61 61 GLU C C 176.120 0.300 1 589 61 61 GLU CA C 57.657 0.300 1 590 61 61 GLU CB C 30.252 0.300 1 591 61 61 GLU CG C 37.671 0.300 1 592 61 61 GLU N N 124.924 0.300 1 593 62 62 GLN H H 9.003 0.030 1 594 62 62 GLN HA H 4.398 0.030 1 595 62 62 GLN HB2 H 1.612 0.030 2 596 62 62 GLN HB3 H 0.778 0.030 2 597 62 62 GLN HE21 H 7.049 0.030 2 598 62 62 GLN HE22 H 6.918 0.030 2 599 62 62 GLN HG2 H 2.083 0.030 2 600 62 62 GLN HG3 H 2.031 0.030 2 601 62 62 GLN C C 173.888 0.300 1 602 62 62 GLN CA C 53.866 0.300 1 603 62 62 GLN CB C 30.378 0.300 1 604 62 62 GLN CG C 33.879 0.300 1 605 62 62 GLN N N 124.854 0.300 1 606 62 62 GLN NE2 N 112.590 0.300 1 607 63 63 ARG H H 8.313 0.030 1 608 63 63 ARG HA H 5.654 0.030 1 609 63 63 ARG HB2 H 1.671 0.030 2 610 63 63 ARG HB3 H 1.566 0.030 2 611 63 63 ARG HD2 H 3.087 0.030 2 612 63 63 ARG HD3 H 3.060 0.030 2 613 63 63 ARG HE H 7.098 0.030 1 614 63 63 ARG HG2 H 1.490 0.030 2 615 63 63 ARG HG3 H 1.374 0.030 2 616 63 63 ARG C C 176.355 0.300 1 617 63 63 ARG CA C 54.650 0.300 1 618 63 63 ARG CB C 33.452 0.300 1 619 63 63 ARG CD C 43.269 0.300 1 620 63 63 ARG CG C 28.148 0.300 1 621 63 63 ARG N N 120.646 0.300 1 622 63 63 ARG NE N 84.498 0.300 1 623 64 64 ILE H H 9.156 0.030 1 624 64 64 ILE HA H 4.616 0.030 1 625 64 64 ILE HB H 1.812 0.030 1 626 64 64 ILE HD1 H 0.953 0.030 1 627 64 64 ILE HG12 H 1.520 0.030 2 628 64 64 ILE HG13 H 1.209 0.030 2 629 64 64 ILE HG2 H 0.952 0.030 1 630 64 64 ILE C C 174.404 0.300 1 631 64 64 ILE CA C 59.935 0.300 1 632 64 64 ILE CB C 42.718 0.300 1 633 64 64 ILE CD1 C 14.121 0.300 1 634 64 64 ILE CG1 C 27.313 0.300 1 635 64 64 ILE CG2 C 17.688 0.300 1 636 64 64 ILE N N 122.296 0.300 1 637 65 65 THR H H 8.527 0.030 1 638 65 65 THR HA H 4.984 0.030 1 639 65 65 THR HB H 3.960 0.030 1 640 65 65 THR HG2 H 1.106 0.030 1 641 65 65 THR CA C 62.191 0.300 1 642 65 65 THR CB C 69.490 0.300 1 643 65 65 THR CG2 C 21.665 0.300 1 644 65 65 THR N N 121.955 0.300 1 645 66 66 ILE H H 9.092 0.030 1 646 66 66 ILE HA H 4.392 0.030 1 647 66 66 ILE HB H 1.520 0.030 1 648 66 66 ILE HD1 H 0.263 0.030 1 649 66 66 ILE HG12 H 1.162 0.030 2 650 66 66 ILE HG13 H 0.218 0.030 2 651 66 66 ILE HG2 H 0.756 0.030 1 652 66 66 ILE CA C 59.760 0.300 1 653 66 66 ILE CB C 41.739 0.300 1 654 66 66 ILE CD1 C 14.482 0.300 1 655 66 66 ILE CG1 C 26.828 0.300 1 656 66 66 ILE CG2 C 16.695 0.300 1 657 66 66 ILE N N 126.429 0.300 1 658 67 67 GLU H H 8.784 0.030 1 659 67 67 GLU HA H 4.555 0.030 1 660 67 67 GLU HB2 H 2.285 0.030 2 661 67 67 GLU HB3 H 2.103 0.030 2 662 67 67 GLU HG2 H 2.528 0.030 1 663 67 67 GLU HG3 H 2.528 0.030 1 664 67 67 GLU CA C 55.645 0.300 1 665 67 67 GLU CB C 28.433 0.300 1 666 67 67 GLU CG C 36.465 0.300 1 667 67 67 GLU N N 124.967 0.300 1 668 68 68 PRO HA H 4.568 0.030 1 669 68 68 PRO HB2 H 2.203 0.030 2 670 68 68 PRO HB3 H 2.143 0.030 2 671 68 68 PRO HD2 H 4.057 0.030 2 672 68 68 PRO HD3 H 3.790 0.030 2 673 68 68 PRO HG2 H 2.213 0.030 2 674 68 68 PRO HG3 H 1.728 0.030 2 675 68 68 PRO C C 175.760 0.300 1 676 68 68 PRO CA C 64.693 0.300 1 677 68 68 PRO CB C 31.451 0.300 1 678 68 68 PRO CD C 50.283 0.300 1 679 68 68 PRO CG C 29.065 0.300 1 680 69 69 GLY H H 7.768 0.030 1 681 69 69 GLY HA2 H 4.402 0.030 2 682 69 69 GLY HA3 H 4.187 0.030 2 683 69 69 GLY C C 172.412 0.300 1 684 69 69 GLY CA C 45.027 0.300 1 685 69 69 GLY N N 111.483 0.300 1 686 70 70 THR H H 8.189 0.030 1 687 70 70 THR HA H 3.288 0.030 1 688 70 70 THR HB H 4.469 0.030 1 689 70 70 THR HG2 H 1.014 0.030 1 690 70 70 THR C C 172.304 0.300 1 691 70 70 THR CA C 60.143 0.300 1 692 70 70 THR CB C 69.590 0.300 1 693 70 70 THR CG2 C 21.679 0.300 1 694 70 70 THR N N 106.445 0.300 1 695 71 71 SER H H 6.818 0.030 1 696 71 71 SER HA H 4.402 0.030 1 697 71 71 SER HB2 H 3.664 0.030 2 698 71 71 SER HB3 H 3.595 0.030 2 699 71 71 SER C C 173.384 0.300 1 700 71 71 SER CA C 57.164 0.300 1 701 71 71 SER CB C 65.834 0.300 1 702 71 71 SER N N 112.085 0.300 1 703 72 72 TYR H H 8.910 0.030 1 704 72 72 TYR HA H 4.506 0.030 1 705 72 72 TYR HB2 H 3.487 0.030 2 706 72 72 TYR HB3 H 2.613 0.030 2 707 72 72 TYR HD1 H 7.010 0.030 1 708 72 72 TYR HD2 H 7.010 0.030 1 709 72 72 TYR HE1 H 6.760 0.030 1 710 72 72 TYR HE2 H 6.760 0.030 1 711 72 72 TYR C C 172.398 0.300 1 712 72 72 TYR CA C 59.257 0.300 1 713 72 72 TYR CB C 42.675 0.300 1 714 72 72 TYR CD1 C 132.516 0.300 1 715 72 72 TYR CD2 C 132.516 0.300 1 716 72 72 TYR CE1 C 118.621 0.300 1 717 72 72 TYR CE2 C 118.621 0.300 1 718 72 72 TYR N N 119.412 0.300 1 719 73 73 ARG H H 7.711 0.030 1 720 73 73 ARG HA H 4.446 0.030 1 721 73 73 ARG HB2 H 1.431 0.030 2 722 73 73 ARG HB3 H 1.324 0.030 2 723 73 73 ARG HD2 H 2.992 0.030 1 724 73 73 ARG HD3 H 2.992 0.030 1 725 73 73 ARG HE H 8.833 0.030 1 726 73 73 ARG HG2 H 1.208 0.030 2 727 73 73 ARG HG3 H 1.000 0.030 2 728 73 73 ARG C C 172.599 0.300 1 729 73 73 ARG CA C 54.886 0.300 1 730 73 73 ARG CB C 30.940 0.300 1 731 73 73 ARG CD C 43.029 0.300 1 732 73 73 ARG CG C 28.515 0.300 1 733 73 73 ARG N N 129.213 0.300 1 734 73 73 ARG NE N 87.347 0.300 1 735 74 74 LEU H H 8.533 0.030 1 736 74 74 LEU HA H 4.350 0.030 1 737 74 74 LEU HB2 H 1.730 0.030 2 738 74 74 LEU HB3 H 0.972 0.030 2 739 74 74 LEU HD1 H 0.776 0.030 1 740 74 74 LEU HD2 H 0.256 0.030 1 741 74 74 LEU HG H 1.210 0.030 1 742 74 74 LEU C C 174.196 0.300 1 743 74 74 LEU CA C 54.024 0.300 1 744 74 74 LEU CB C 43.239 0.300 1 745 74 74 LEU CD1 C 23.359 0.300 2 746 74 74 LEU CD2 C 27.305 0.300 2 747 74 74 LEU CG C 26.665 0.300 1 748 74 74 LEU N N 129.894 0.300 1 749 75 75 GLN H H 8.170 0.030 1 750 75 75 GLN HA H 4.960 0.030 1 751 75 75 GLN HB2 H 2.082 0.030 2 752 75 75 GLN HB3 H 1.874 0.030 2 753 75 75 GLN HE21 H 7.472 0.030 2 754 75 75 GLN HE22 H 6.834 0.030 2 755 75 75 GLN HG2 H 2.081 0.030 1 756 75 75 GLN HG3 H 2.081 0.030 1 757 75 75 GLN C C 175.535 0.300 1 758 75 75 GLN CA C 53.935 0.300 1 759 75 75 GLN CB C 31.795 0.300 1 760 75 75 GLN CG C 34.282 0.300 1 761 75 75 GLN N N 123.719 0.300 1 762 75 75 GLN NE2 N 112.174 0.300 1 763 76 76 GLY H H 8.568 0.030 1 764 76 76 GLY HA2 H 3.966 0.030 2 765 76 76 GLY HA3 H 3.841 0.030 2 766 76 76 GLY C C 175.376 0.300 1 767 76 76 GLY CA C 46.161 0.300 1 768 76 76 GLY N N 106.820 0.300 1 769 77 77 LEU H H 8.401 0.030 1 770 77 77 LEU HA H 4.315 0.030 1 771 77 77 LEU HB2 H 1.411 0.030 2 772 77 77 LEU HB3 H 1.062 0.030 2 773 77 77 LEU HD1 H 0.016 0.030 1 774 77 77 LEU HD2 H 0.122 0.030 1 775 77 77 LEU HG H 1.067 0.030 1 776 77 77 LEU C C 175.254 0.300 1 777 77 77 LEU CA C 53.204 0.300 1 778 77 77 LEU CB C 41.332 0.300 1 779 77 77 LEU CD1 C 24.928 0.300 2 780 77 77 LEU CD2 C 18.828 0.300 2 781 77 77 LEU CG C 26.072 0.300 1 782 77 77 LEU N N 119.281 0.300 1 783 78 78 LYS H H 8.216 0.030 1 784 78 78 LYS HA H 4.763 0.030 1 785 78 78 LYS HB2 H 1.835 0.030 1 786 78 78 LYS HB3 H 1.835 0.030 1 787 78 78 LYS HD2 H 1.743 0.030 1 788 78 78 LYS HD3 H 1.743 0.030 1 789 78 78 LYS HE2 H 3.011 0.030 1 790 78 78 LYS HE3 H 3.011 0.030 1 791 78 78 LYS HG2 H 1.629 0.030 2 792 78 78 LYS HG3 H 1.548 0.030 2 793 78 78 LYS C C 175.084 0.300 1 794 78 78 LYS CA C 53.986 0.300 1 795 78 78 LYS CB C 33.504 0.300 1 796 78 78 LYS CD C 29.277 0.300 1 797 78 78 LYS CE C 41.963 0.300 1 798 78 78 LYS CG C 24.918 0.300 1 799 78 78 LYS N N 119.545 0.300 1 800 79 79 PRO HA H 5.393 0.030 1 801 79 79 PRO HB2 H 2.441 0.030 2 802 79 79 PRO HB3 H 1.914 0.030 2 803 79 79 PRO HD2 H 3.930 0.030 2 804 79 79 PRO HD3 H 3.626 0.030 2 805 79 79 PRO HG2 H 2.061 0.030 2 806 79 79 PRO HG3 H 1.901 0.030 2 807 79 79 PRO C C 178.137 0.300 1 808 79 79 PRO CA C 62.898 0.300 1 809 79 79 PRO CB C 33.303 0.300 1 810 79 79 PRO CD C 51.165 0.300 1 811 79 79 PRO CG C 27.478 0.300 1 812 80 80 ASN H H 7.991 0.030 1 813 80 80 ASN HA H 4.261 0.030 1 814 80 80 ASN HB2 H 3.202 0.030 2 815 80 80 ASN HB3 H 2.277 0.030 2 816 80 80 ASN HD21 H 7.624 0.030 2 817 80 80 ASN HD22 H 6.839 0.030 2 818 80 80 ASN C C 174.816 0.300 1 819 80 80 ASN CA C 53.208 0.300 1 820 80 80 ASN CB C 39.007 0.300 1 821 80 80 ASN N N 123.070 0.300 1 822 80 80 ASN ND2 N 110.795 0.300 1 823 81 81 SER H H 8.397 0.030 1 824 81 81 SER HA H 4.763 0.030 1 825 81 81 SER HB2 H 3.757 0.030 2 826 81 81 SER HB3 H 3.433 0.030 2 827 81 81 SER C C 170.770 0.300 1 828 81 81 SER CA C 59.206 0.300 1 829 81 81 SER CB C 66.184 0.300 1 830 81 81 SER N N 114.243 0.300 1 831 82 82 LEU H H 8.134 0.030 1 832 82 82 LEU HA H 4.430 0.030 1 833 82 82 LEU HB2 H 1.728 0.030 2 834 82 82 LEU HB3 H 1.170 0.030 2 835 82 82 LEU HD1 H 0.804 0.030 1 836 82 82 LEU HD2 H 0.639 0.030 1 837 82 82 LEU HG H 1.045 0.030 1 838 82 82 LEU C C 174.487 0.300 1 839 82 82 LEU CA C 54.461 0.300 1 840 82 82 LEU CB C 44.155 0.300 1 841 82 82 LEU CD1 C 26.548 0.300 2 842 82 82 LEU CD2 C 23.639 0.300 2 843 82 82 LEU CG C 26.998 0.300 1 844 82 82 LEU N N 126.291 0.300 1 845 83 83 TYR H H 8.800 0.030 1 846 83 83 TYR HA H 5.150 0.030 1 847 83 83 TYR HB2 H 2.495 0.030 2 848 83 83 TYR HB3 H 2.210 0.030 2 849 83 83 TYR HD1 H 7.000 0.030 1 850 83 83 TYR HD2 H 7.000 0.030 1 851 83 83 TYR HE1 H 6.887 0.030 1 852 83 83 TYR HE2 H 6.887 0.030 1 853 83 83 TYR C C 173.650 0.300 1 854 83 83 TYR CA C 57.049 0.300 1 855 83 83 TYR CB C 43.992 0.300 1 856 83 83 TYR CD1 C 133.169 0.300 1 857 83 83 TYR CD2 C 133.169 0.300 1 858 83 83 TYR CE1 C 118.246 0.300 1 859 83 83 TYR CE2 C 118.246 0.300 1 860 83 83 TYR N N 125.727 0.300 1 861 84 84 TYR H H 8.306 0.030 1 862 84 84 TYR HA H 5.087 0.030 1 863 84 84 TYR HB2 H 2.746 0.030 2 864 84 84 TYR HB3 H 2.450 0.030 2 865 84 84 TYR HD1 H 6.742 0.030 1 866 84 84 TYR HD2 H 6.742 0.030 1 867 84 84 TYR HE1 H 6.527 0.030 1 868 84 84 TYR HE2 H 6.527 0.030 1 869 84 84 TYR C C 176.178 0.300 1 870 84 84 TYR CA C 56.355 0.300 1 871 84 84 TYR CB C 41.992 0.300 1 872 84 84 TYR CD1 C 132.984 0.300 1 873 84 84 TYR CD2 C 132.984 0.300 1 874 84 84 TYR CE1 C 117.551 0.300 1 875 84 84 TYR CE2 C 117.551 0.300 1 876 84 84 TYR N N 117.568 0.300 1 877 85 85 PHE H H 9.236 0.030 1 878 85 85 PHE HA H 5.889 0.030 1 879 85 85 PHE HB2 H 3.207 0.030 2 880 85 85 PHE HB3 H 2.771 0.030 2 881 85 85 PHE HD1 H 7.032 0.030 1 882 85 85 PHE HD2 H 7.032 0.030 1 883 85 85 PHE HE1 H 6.902 0.030 1 884 85 85 PHE HE2 H 6.902 0.030 1 885 85 85 PHE HZ H 6.763 0.030 1 886 85 85 PHE C C 175.590 0.300 1 887 85 85 PHE CA C 57.234 0.300 1 888 85 85 PHE CB C 45.041 0.300 1 889 85 85 PHE CD1 C 132.567 0.300 1 890 85 85 PHE CD2 C 132.567 0.300 1 891 85 85 PHE CE1 C 130.447 0.300 1 892 85 85 PHE CE2 C 130.447 0.300 1 893 85 85 PHE CZ C 128.905 0.300 1 894 85 85 PHE N N 116.135 0.300 1 895 86 86 ARG H H 9.189 0.030 1 896 86 86 ARG HA H 4.524 0.030 1 897 86 86 ARG HB2 H 1.744 0.030 2 898 86 86 ARG HB3 H 1.687 0.030 2 899 86 86 ARG HD2 H 3.232 0.030 2 900 86 86 ARG HD3 H 3.153 0.030 2 901 86 86 ARG HE H 7.398 0.030 1 902 86 86 ARG HG2 H 1.647 0.030 2 903 86 86 ARG HG3 H 1.623 0.030 2 904 86 86 ARG C C 172.936 0.300 1 905 86 86 ARG CA C 56.670 0.300 1 906 86 86 ARG CB C 34.936 0.300 1 907 86 86 ARG CD C 43.842 0.300 1 908 86 86 ARG CG C 28.027 0.300 1 909 86 86 ARG N N 117.125 0.300 1 910 86 86 ARG NE N 84.529 0.300 1 911 87 87 LEU H H 7.864 0.030 1 912 87 87 LEU HA H 5.002 0.030 1 913 87 87 LEU HB2 H 0.514 0.030 2 914 87 87 LEU HB3 H 0.097 0.030 2 915 87 87 LEU HD1 H 0.073 0.030 1 916 87 87 LEU HD2 H -1.220 0.030 1 917 87 87 LEU HG H 0.697 0.030 1 918 87 87 LEU C C 173.828 0.300 1 919 87 87 LEU CA C 53.505 0.300 1 920 87 87 LEU CB C 47.015 0.300 1 921 87 87 LEU CD1 C 23.493 0.300 2 922 87 87 LEU CD2 C 24.843 0.300 2 923 87 87 LEU CG C 26.318 0.300 1 924 87 87 LEU N N 124.719 0.300 1 925 88 88 ALA H H 8.240 0.030 1 926 88 88 ALA HA H 4.515 0.030 1 927 88 88 ALA HB H 1.184 0.030 1 928 88 88 ALA C C 174.722 0.300 1 929 88 88 ALA CA C 51.256 0.300 1 930 88 88 ALA CB C 23.520 0.300 1 931 88 88 ALA N N 126.350 0.300 1 932 89 89 ALA H H 9.785 0.030 1 933 89 89 ALA HA H 4.303 0.030 1 934 89 89 ALA HB H 1.030 0.030 1 935 89 89 ALA C C 174.406 0.300 1 936 89 89 ALA CA C 50.688 0.300 1 937 89 89 ALA CB C 21.540 0.300 1 938 89 89 ALA N N 124.454 0.300 1 939 90 90 ARG H H 8.744 0.030 1 940 90 90 ARG HA H 4.853 0.030 1 941 90 90 ARG HB2 H 1.752 0.030 2 942 90 90 ARG HB3 H 1.385 0.030 2 943 90 90 ARG HD2 H 3.186 0.030 2 944 90 90 ARG HD3 H 3.085 0.030 2 945 90 90 ARG HE H 7.484 0.030 1 946 90 90 ARG HG2 H 1.313 0.030 2 947 90 90 ARG HG3 H 1.221 0.030 2 948 90 90 ARG C C 174.890 0.300 1 949 90 90 ARG CA C 55.164 0.300 1 950 90 90 ARG CB C 33.366 0.300 1 951 90 90 ARG CD C 43.112 0.300 1 952 90 90 ARG CG C 28.817 0.300 1 953 90 90 ARG N N 121.787 0.300 1 954 90 90 ARG NE N 83.707 0.300 1 955 91 91 SER H H 8.710 0.030 1 956 91 91 SER HA H 5.210 0.030 1 957 91 91 SER HB2 H 4.560 0.030 2 958 91 91 SER HB3 H 3.656 0.030 2 959 91 91 SER C C 173.699 0.300 1 960 91 91 SER CA C 55.872 0.300 1 961 91 91 SER CB C 65.891 0.300 1 962 91 91 SER N N 123.719 0.300 1 963 92 92 PRO HA H 4.311 0.030 1 964 92 92 PRO HB2 H 2.436 0.030 2 965 92 92 PRO HB3 H 1.828 0.030 2 966 92 92 PRO HD2 H 3.887 0.030 2 967 92 92 PRO HD3 H 3.848 0.030 2 968 92 92 PRO HG2 H 2.173 0.030 2 969 92 92 PRO HG3 H 1.964 0.030 2 970 92 92 PRO C C 176.860 0.300 1 971 92 92 PRO CA C 65.396 0.300 1 972 92 92 PRO CB C 31.422 0.300 1 973 92 92 PRO CD C 51.287 0.300 1 974 92 92 PRO CG C 28.365 0.300 1 975 93 93 GLN H H 7.740 0.030 1 976 93 93 GLN HA H 4.204 0.030 1 977 93 93 GLN HB2 H 2.008 0.030 2 978 93 93 GLN HB3 H 1.721 0.030 2 979 93 93 GLN HE21 H 7.538 0.030 2 980 93 93 GLN HE22 H 6.894 0.030 2 981 93 93 GLN HG2 H 2.429 0.030 2 982 93 93 GLN HG3 H 2.319 0.030 2 983 93 93 GLN C C 175.745 0.300 1 984 93 93 GLN CA C 57.139 0.300 1 985 93 93 GLN CB C 29.082 0.300 1 986 93 93 GLN CG C 35.007 0.300 1 987 93 93 GLN N N 112.989 0.300 1 988 93 93 GLN NE2 N 112.206 0.300 1 989 94 94 GLY H H 7.672 0.030 1 990 94 94 GLY HA2 H 4.385 0.030 2 991 94 94 GLY HA3 H 3.734 0.030 2 992 94 94 GLY C C 171.311 0.300 1 993 94 94 GLY CA C 44.514 0.300 1 994 94 94 GLY N N 107.297 0.300 1 995 95 95 LEU H H 8.251 0.030 1 996 95 95 LEU HA H 4.410 0.030 1 997 95 95 LEU HB2 H 1.735 0.030 2 998 95 95 LEU HB3 H 1.227 0.030 2 999 95 95 LEU HD1 H 0.742 0.030 1 1000 95 95 LEU HD2 H 0.643 0.030 1 1001 95 95 LEU HG H 1.779 0.030 1 1002 95 95 LEU C C 177.438 0.300 1 1003 95 95 LEU CA C 54.849 0.300 1 1004 95 95 LEU CB C 43.763 0.300 1 1005 95 95 LEU CD1 C 25.787 0.300 2 1006 95 95 LEU CD2 C 23.823 0.300 2 1007 95 95 LEU CG C 25.934 0.300 1 1008 95 95 LEU N N 121.773 0.300 1 1009 96 96 GLY H H 9.051 0.030 1 1010 96 96 GLY HA2 H 4.171 0.030 2 1011 96 96 GLY HA3 H 4.080 0.030 2 1012 96 96 GLY C C 172.376 0.300 1 1013 96 96 GLY CA C 44.692 0.300 1 1014 96 96 GLY N N 113.821 0.300 1 1015 97 97 ALA H H 7.663 0.030 1 1016 97 97 ALA HA H 4.155 0.030 1 1017 97 97 ALA HB H 1.370 0.030 1 1018 97 97 ALA C C 178.483 0.300 1 1019 97 97 ALA CA C 52.021 0.300 1 1020 97 97 ALA CB C 19.592 0.300 1 1021 97 97 ALA N N 118.536 0.300 1 1022 98 98 SER H H 8.431 0.030 1 1023 98 98 SER HA H 4.998 0.030 1 1024 98 98 SER HB2 H 3.798 0.030 1 1025 98 98 SER HB3 H 3.798 0.030 1 1026 98 98 SER C C 177.452 0.300 1 1027 98 98 SER CA C 57.622 0.300 1 1028 98 98 SER CB C 64.974 0.300 1 1029 98 98 SER N N 114.969 0.300 1 1030 99 99 THR H H 8.748 0.030 1 1031 99 99 THR HA H 4.353 0.030 1 1032 99 99 THR HB H 4.907 0.030 1 1033 99 99 THR HG2 H 1.220 0.030 1 1034 99 99 THR C C 176.107 0.300 1 1035 99 99 THR CA C 63.244 0.300 1 1036 99 99 THR CB C 71.934 0.300 1 1037 99 99 THR CG2 C 21.079 0.300 1 1038 99 99 THR N N 113.220 0.300 1 1039 100 100 ALA H H 8.664 0.030 1 1040 100 100 ALA HA H 4.407 0.030 1 1041 100 100 ALA HB H 1.545 0.030 1 1042 100 100 ALA C C 177.516 0.300 1 1043 100 100 ALA CA C 53.017 0.300 1 1044 100 100 ALA CB C 18.913 0.300 1 1045 100 100 ALA N N 122.768 0.300 1 1046 101 101 GLU H H 8.654 0.030 1 1047 101 101 GLU HA H 5.144 0.030 1 1048 101 101 GLU HB2 H 2.164 0.030 2 1049 101 101 GLU HB3 H 1.876 0.030 2 1050 101 101 GLU HG2 H 2.314 0.030 1 1051 101 101 GLU HG3 H 2.314 0.030 1 1052 101 101 GLU C C 177.358 0.300 1 1053 101 101 GLU CA C 56.429 0.300 1 1054 101 101 GLU CB C 31.702 0.300 1 1055 101 101 GLU CG C 38.554 0.300 1 1056 101 101 GLU N N 122.634 0.300 1 1057 102 102 ILE H H 8.875 0.030 1 1058 102 102 ILE HA H 4.987 0.030 1 1059 102 102 ILE HB H 2.095 0.030 1 1060 102 102 ILE HD1 H -0.039 0.030 1 1061 102 102 ILE HG12 H 1.162 0.030 2 1062 102 102 ILE HG13 H 1.065 0.030 2 1063 102 102 ILE HG2 H 0.990 0.030 1 1064 102 102 ILE C C 174.340 0.300 1 1065 102 102 ILE CA C 59.871 0.300 1 1066 102 102 ILE CB C 41.351 0.300 1 1067 102 102 ILE CD1 C 13.919 0.300 1 1068 102 102 ILE CG1 C 26.050 0.300 1 1069 102 102 ILE CG2 C 17.470 0.300 1 1070 102 102 ILE N N 121.788 0.300 1 1071 103 103 SER H H 8.354 0.030 1 1072 103 103 SER HA H 5.728 0.030 1 1073 103 103 SER HB2 H 3.098 0.030 1 1074 103 103 SER HB3 H 3.098 0.030 1 1075 103 103 SER C C 173.984 0.300 1 1076 103 103 SER CA C 56.183 0.300 1 1077 103 103 SER CB C 67.239 0.300 1 1078 103 103 SER N N 112.555 0.300 1 1079 104 104 ALA H H 8.858 0.030 1 1080 104 104 ALA HA H 4.458 0.030 1 1081 104 104 ALA HB H 1.288 0.030 1 1082 104 104 ALA C C 173.991 0.300 1 1083 104 104 ALA CA C 51.971 0.300 1 1084 104 104 ALA CB C 23.351 0.300 1 1085 104 104 ALA N N 119.216 0.300 1 1086 105 105 ARG H H 8.522 0.030 1 1087 105 105 ARG HA H 5.687 0.030 1 1088 105 105 ARG HB2 H 1.746 0.030 2 1089 105 105 ARG HB3 H 1.520 0.030 2 1090 105 105 ARG HD2 H 3.183 0.030 2 1091 105 105 ARG HD3 H 3.080 0.030 2 1092 105 105 ARG HG2 H 1.821 0.030 2 1093 105 105 ARG HG3 H 1.217 0.030 2 1094 105 105 ARG C C 177.832 0.300 1 1095 105 105 ARG CA C 53.364 0.300 1 1096 105 105 ARG CB C 33.714 0.300 1 1097 105 105 ARG CD C 43.323 0.300 1 1098 105 105 ARG CG C 27.946 0.300 1 1099 105 105 ARG N N 121.957 0.300 1 1100 106 106 THR H H 8.856 0.030 1 1101 106 106 THR HA H 4.083 0.030 1 1102 106 106 THR HB H 4.678 0.030 1 1103 106 106 THR HG2 H 1.189 0.030 1 1104 106 106 THR C C 175.309 0.300 1 1105 106 106 THR CA C 61.834 0.300 1 1106 106 106 THR CB C 69.468 0.300 1 1107 106 106 THR CG2 C 25.098 0.300 1 1108 106 106 THR N N 113.683 0.300 1 1109 107 107 MET H H 7.080 0.030 1 1110 107 107 MET HA H 4.255 0.030 1 1111 107 107 MET HB2 H 2.629 0.030 2 1112 107 107 MET HB3 H 1.366 0.030 2 1113 107 107 MET HE H 1.993 0.030 1 1114 107 107 MET HG2 H 2.359 0.030 1 1115 107 107 MET HG3 H 2.359 0.030 1 1116 107 107 MET C C 175.445 0.300 1 1117 107 107 MET CA C 56.652 0.300 1 1118 107 107 MET CB C 33.540 0.300 1 1119 107 107 MET CE C 17.758 0.300 1 1120 107 107 MET CG C 33.469 0.300 1 1121 107 107 MET N N 115.673 0.300 1 1122 108 108 GLN H H 8.359 0.030 1 1123 108 108 GLN HA H 4.373 0.030 1 1124 108 108 GLN HB2 H 2.051 0.030 2 1125 108 108 GLN HB3 H 1.951 0.030 2 1126 108 108 GLN HE21 H 7.505 0.030 2 1127 108 108 GLN HE22 H 6.812 0.030 2 1128 108 108 GLN HG2 H 2.422 0.030 2 1129 108 108 GLN HG3 H 2.356 0.030 2 1130 108 108 GLN C C 175.974 0.300 1 1131 108 108 GLN CA C 55.850 0.300 1 1132 108 108 GLN CB C 30.097 0.300 1 1133 108 108 GLN CG C 33.714 0.300 1 1134 108 108 GLN N N 117.840 0.300 1 1135 108 108 GLN NE2 N 111.807 0.300 1 1136 109 109 SER H H 8.721 0.030 1 1137 109 109 SER HA H 4.467 0.030 1 1138 109 109 SER HB2 H 3.846 0.030 1 1139 109 109 SER HB3 H 3.846 0.030 1 1140 109 109 SER C C 174.950 0.300 1 1141 109 109 SER CA C 58.375 0.300 1 1142 109 109 SER CB C 63.995 0.300 1 1143 109 109 SER N N 117.171 0.300 1 1144 110 110 SER H H 8.695 0.030 1 1145 110 110 SER HA H 4.498 0.030 1 1146 110 110 SER HB2 H 3.882 0.030 1 1147 110 110 SER HB3 H 3.882 0.030 1 1148 110 110 SER C C 174.705 0.300 1 1149 110 110 SER CA C 58.659 0.300 1 1150 110 110 SER CB C 64.173 0.300 1 1151 110 110 SER N N 119.085 0.300 1 1152 111 111 GLY H H 8.280 0.030 1 1153 111 111 GLY C C 171.829 0.300 1 1154 111 111 GLY CA C 44.674 0.300 1 1155 111 111 GLY N N 110.680 0.300 1 stop_ save_