data_11117 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of the second fibronectin type III domain of mouse Ephrin type-A receptor 1 ; _BMRB_accession_number 11117 _BMRB_flat_file_name bmr11117.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _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 Sasagawa A. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 584 "13C chemical shifts" 445 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The solution structure of the second fibronectin type III domain of mouse Ephrin type-A receptor 1 ; _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 Sasagawa A. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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 'Ephrin type-A receptor 1' _Enzyme_commission_number E.C.2.7.1.112 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 107 _Mol_residue_sequence ; GSSGSSGAESLSGLSLKLVK KEPRQLELTWAGSRPRNPGG NLSYELHVLNQDEEWHQMVL EPRVLLTKLQPDTTYIVRVR TLTPLGPGPFSPDHEFRTSP PSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 GLU 10 SER 11 LEU 12 SER 13 GLY 14 LEU 15 SER 16 LEU 17 LYS 18 LEU 19 VAL 20 LYS 21 LYS 22 GLU 23 PRO 24 ARG 25 GLN 26 LEU 27 GLU 28 LEU 29 THR 30 TRP 31 ALA 32 GLY 33 SER 34 ARG 35 PRO 36 ARG 37 ASN 38 PRO 39 GLY 40 GLY 41 ASN 42 LEU 43 SER 44 TYR 45 GLU 46 LEU 47 HIS 48 VAL 49 LEU 50 ASN 51 GLN 52 ASP 53 GLU 54 GLU 55 TRP 56 HIS 57 GLN 58 MET 59 VAL 60 LEU 61 GLU 62 PRO 63 ARG 64 VAL 65 LEU 66 LEU 67 THR 68 LYS 69 LEU 70 GLN 71 PRO 72 ASP 73 THR 74 THR 75 TYR 76 ILE 77 VAL 78 ARG 79 VAL 80 ARG 81 THR 82 LEU 83 THR 84 PRO 85 LEU 86 GLY 87 PRO 88 GLY 89 PRO 90 PHE 91 SER 92 PRO 93 ASP 94 HIS 95 GLU 96 PHE 97 ARG 98 THR 99 SER 100 PRO 101 PRO 102 SER 103 GLY 104 PRO 105 SER 106 SER 107 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 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 1X5A "The Solution Structure Of The Second Fibronectin Type Iii Domain Of Mouse Ephrin Type-A Receptor 1" 100.00 107 100.00 100.00 2.15e-68 DBJ BAC25971 "unnamed protein product [Mus musculus]" 87.85 977 100.00 100.00 5.12e-55 GB AAC52384 "receptor tyrosine kinase, partial [Mus musculus]" 87.85 534 97.87 97.87 4.84e-55 GB AAG12206 "receptor tyrosine kinase EphA1 [Mus musculus]" 87.85 977 100.00 100.00 5.60e-55 GB AAH71215 "Eph receptor A1 [Mus musculus]" 87.85 977 100.00 100.00 5.12e-55 GB EDL13481 "Eph receptor A1 [Mus musculus]" 87.85 977 100.00 100.00 5.12e-55 GB EDM15513 "Eph receptor A1 (predicted) [Rattus norvegicus]" 87.85 977 97.87 98.94 4.07e-53 PRF 2207387A "esk protein" 87.85 534 97.87 97.87 4.84e-55 REF NP_001101328 "ephrin type-A receptor 1 precursor [Rattus norvegicus]" 87.85 977 97.87 98.94 4.07e-53 REF NP_076069 "ephrin type-A receptor 1 precursor [Mus musculus]" 87.85 977 100.00 100.00 5.12e-55 REF XP_003504401 "PREDICTED: ephrin type-A receptor 1 [Cricetulus griseus]" 87.85 1020 98.94 100.00 1.26e-54 REF XP_005363880 "PREDICTED: ephrin type-A receptor 1 [Microtus ochrogaster]" 87.85 976 97.87 98.94 5.93e-54 REF XP_005405417 "PREDICTED: ephrin type-A receptor 1 isoform X1 [Chinchilla lanigera]" 87.85 976 97.87 100.00 8.18e-54 SP Q60750 "RecName: Full=Ephrin type-A receptor 1; Short=mEpha1; AltName: Full=Embryonic stem cell kinase; AltName: Full=Tyrosine-protein " 87.85 977 100.00 100.00 5.12e-55 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 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 . P040719-10 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.2mM FN3 domain {U-15N,13C;} 20mM d-Tris {HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 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 '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 20031121 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 '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 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 $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 7 7 GLY HA2 H 4.005 0.030 2 2 7 7 GLY C C 174.228 0.300 1 3 7 7 GLY CA C 45.351 0.300 1 4 8 8 ALA H H 8.216 0.030 1 5 8 8 ALA HA H 4.311 0.030 1 6 8 8 ALA HB H 1.402 0.030 1 7 8 8 ALA C C 178.206 0.300 1 8 8 8 ALA CA C 52.906 0.300 1 9 8 8 ALA CB C 19.243 0.300 1 10 8 8 ALA N N 123.701 0.300 1 11 9 9 GLU H H 8.553 0.030 1 12 9 9 GLU HA H 4.290 0.030 1 13 9 9 GLU HB2 H 2.093 0.030 2 14 9 9 GLU HB3 H 1.993 0.030 2 15 9 9 GLU HG2 H 2.303 0.030 1 16 9 9 GLU HG3 H 2.303 0.030 1 17 9 9 GLU C C 176.886 0.300 1 18 9 9 GLU CA C 57.079 0.300 1 19 9 9 GLU CB C 30.030 0.300 1 20 9 9 GLU CG C 36.321 0.300 1 21 9 9 GLU N N 119.845 0.300 1 22 10 10 SER H H 8.276 0.030 1 23 10 10 SER HA H 4.487 0.030 1 24 10 10 SER HB2 H 3.906 0.030 1 25 10 10 SER HB3 H 3.906 0.030 1 26 10 10 SER C C 174.779 0.300 1 27 10 10 SER CA C 58.221 0.300 1 28 10 10 SER CB C 64.060 0.300 1 29 10 10 SER N N 116.341 0.300 1 30 11 11 LEU H H 8.268 0.030 1 31 11 11 LEU HA H 4.504 0.030 1 32 11 11 LEU HB2 H 1.732 0.030 2 33 11 11 LEU HB3 H 1.667 0.030 2 34 11 11 LEU HD1 H 0.948 0.030 1 35 11 11 LEU HD2 H 0.885 0.030 1 36 11 11 LEU HG H 1.674 0.030 1 37 11 11 LEU C C 177.783 0.300 1 38 11 11 LEU CA C 55.272 0.300 1 39 11 11 LEU CB C 42.478 0.300 1 40 11 11 LEU CD1 C 25.289 0.300 2 41 11 11 LEU CD2 C 23.349 0.300 2 42 11 11 LEU CG C 27.042 0.300 1 43 11 11 LEU N N 123.716 0.300 1 44 12 12 SER H H 8.331 0.030 1 45 12 12 SER HA H 4.426 0.030 1 46 12 12 SER HB2 H 3.956 0.030 2 47 12 12 SER HB3 H 3.865 0.030 2 48 12 12 SER C C 175.154 0.300 1 49 12 12 SER CA C 58.822 0.300 1 50 12 12 SER CB C 64.170 0.300 1 51 12 12 SER N N 115.767 0.300 1 52 13 13 GLY H H 8.372 0.030 1 53 13 13 GLY HA2 H 4.100 0.030 2 54 13 13 GLY HA3 H 3.955 0.030 2 55 13 13 GLY C C 173.936 0.300 1 56 13 13 GLY CA C 45.487 0.300 1 57 13 13 GLY N N 110.338 0.300 1 58 14 14 LEU H H 7.955 0.030 1 59 14 14 LEU HA H 4.456 0.030 1 60 14 14 LEU HB2 H 1.619 0.030 2 61 14 14 LEU HB3 H 1.255 0.030 2 62 14 14 LEU HD1 H 0.917 0.030 1 63 14 14 LEU HD2 H 0.874 0.030 1 64 14 14 LEU C C 176.050 0.300 1 65 14 14 LEU CA C 55.082 0.300 1 66 14 14 LEU CB C 43.392 0.300 1 67 14 14 LEU CD1 C 25.964 0.300 2 68 14 14 LEU CD2 C 23.892 0.300 2 69 14 14 LEU CG C 26.398 0.300 1 70 14 14 LEU N N 121.047 0.300 1 71 15 15 SER H H 8.195 0.030 1 72 15 15 SER HA H 4.851 0.030 1 73 15 15 SER HB2 H 3.854 0.030 1 74 15 15 SER HB3 H 3.854 0.030 1 75 15 15 SER C C 173.859 0.300 1 76 15 15 SER CA C 57.026 0.300 1 77 15 15 SER CB C 64.368 0.300 1 78 15 15 SER N N 115.672 0.300 1 79 16 16 LEU H H 7.714 0.030 1 80 16 16 LEU HA H 4.808 0.030 1 81 16 16 LEU HB2 H 1.192 0.030 1 82 16 16 LEU HB3 H 1.192 0.030 1 83 16 16 LEU HD1 H 0.333 0.030 1 84 16 16 LEU HD2 H 0.335 0.030 1 85 16 16 LEU HG H 1.127 0.030 1 86 16 16 LEU C C 175.598 0.300 1 87 16 16 LEU CA C 55.206 0.300 1 88 16 16 LEU CB C 44.086 0.300 1 89 16 16 LEU CD1 C 25.449 0.300 2 90 16 16 LEU CD2 C 25.950 0.300 2 91 16 16 LEU CG C 28.019 0.300 1 92 16 16 LEU N N 126.427 0.300 1 93 17 17 LYS H H 9.277 0.030 1 94 17 17 LYS HA H 4.732 0.030 1 95 17 17 LYS HB2 H 1.781 0.030 2 96 17 17 LYS HB3 H 1.739 0.030 2 97 17 17 LYS HD2 H 1.638 0.030 2 98 17 17 LYS HE2 H 2.945 0.030 1 99 17 17 LYS HE3 H 2.945 0.030 1 100 17 17 LYS HG2 H 1.323 0.030 2 101 17 17 LYS HG3 H 1.418 0.030 2 102 17 17 LYS C C 174.778 0.300 1 103 17 17 LYS CA C 54.393 0.300 1 104 17 17 LYS CB C 35.157 0.300 1 105 17 17 LYS CD C 29.053 0.300 1 106 17 17 LYS CE C 42.302 0.300 1 107 17 17 LYS CG C 24.729 0.300 1 108 17 17 LYS N N 122.191 0.300 1 109 18 18 LEU H H 8.806 0.030 1 110 18 18 LEU HA H 4.315 0.030 1 111 18 18 LEU HB2 H 1.945 0.030 2 112 18 18 LEU HB3 H 1.435 0.030 2 113 18 18 LEU HD1 H 0.810 0.030 1 114 18 18 LEU HD2 H 0.998 0.030 1 115 18 18 LEU HG H 1.287 0.030 1 116 18 18 LEU C C 176.638 0.300 1 117 18 18 LEU CA C 54.824 0.300 1 118 18 18 LEU CB C 42.612 0.300 1 119 18 18 LEU CD1 C 24.954 0.300 2 120 18 18 LEU CD2 C 26.581 0.300 2 121 18 18 LEU CG C 27.147 0.300 1 122 18 18 LEU N N 124.797 0.300 1 123 19 19 VAL H H 9.045 0.030 1 124 19 19 VAL HA H 4.056 0.030 1 125 19 19 VAL HB H 1.694 0.030 1 126 19 19 VAL HG1 H 0.811 0.030 1 127 19 19 VAL HG2 H 0.798 0.030 1 128 19 19 VAL C C 176.221 0.300 1 129 19 19 VAL CA C 63.776 0.300 1 130 19 19 VAL CB C 32.895 0.300 1 131 19 19 VAL CG1 C 21.209 0.300 2 132 19 19 VAL CG2 C 21.442 0.300 2 133 19 19 VAL N N 127.482 0.300 1 134 20 20 LYS H H 7.397 0.030 1 135 20 20 LYS HA H 4.533 0.030 1 136 20 20 LYS HB2 H 1.834 0.030 2 137 20 20 LYS HB3 H 1.776 0.030 2 138 20 20 LYS HD2 H 1.674 0.030 1 139 20 20 LYS HD3 H 1.674 0.030 1 140 20 20 LYS HE2 H 2.883 0.030 2 141 20 20 LYS HE3 H 2.938 0.030 2 142 20 20 LYS HG2 H 1.381 0.030 2 143 20 20 LYS HG3 H 1.318 0.030 2 144 20 20 LYS C C 173.314 0.300 1 145 20 20 LYS CA C 56.486 0.300 1 146 20 20 LYS CB C 36.057 0.300 1 147 20 20 LYS CD C 29.182 0.300 1 148 20 20 LYS CE C 42.005 0.300 1 149 20 20 LYS CG C 25.006 0.300 1 150 20 20 LYS N N 117.514 0.300 1 151 21 21 LYS H H 8.833 0.030 1 152 21 21 LYS HA H 4.939 0.030 1 153 21 21 LYS HB2 H 1.871 0.030 2 154 21 21 LYS HB3 H 1.781 0.030 2 155 21 21 LYS HD2 H 1.734 0.030 2 156 21 21 LYS HD3 H 1.810 0.030 2 157 21 21 LYS HE2 H 3.043 0.030 1 158 21 21 LYS HE3 H 3.043 0.030 1 159 21 21 LYS HG2 H 1.524 0.030 1 160 21 21 LYS HG3 H 1.524 0.030 1 161 21 21 LYS C C 173.215 0.300 1 162 21 21 LYS CA C 55.085 0.300 1 163 21 21 LYS CB C 36.218 0.300 1 164 21 21 LYS CD C 30.064 0.300 1 165 21 21 LYS CE C 42.175 0.300 1 166 21 21 LYS CG C 23.531 0.300 1 167 21 21 LYS N N 125.146 0.300 1 168 22 22 GLU H H 8.239 0.030 1 169 22 22 GLU HA H 4.928 0.030 1 170 22 22 GLU HB2 H 2.542 0.030 2 171 22 22 GLU HB3 H 1.755 0.030 2 172 22 22 GLU HG2 H 2.319 0.030 2 173 22 22 GLU HG3 H 2.150 0.030 2 174 22 22 GLU C C 175.307 0.300 1 175 22 22 GLU CA C 54.403 0.300 1 176 22 22 GLU CB C 32.446 0.300 1 177 22 22 GLU CG C 36.866 0.300 1 178 22 22 GLU N N 124.884 0.300 1 179 23 23 PRO HA H 4.802 0.030 1 180 23 23 PRO HB2 H 2.113 0.030 2 181 23 23 PRO HB3 H 1.881 0.030 2 182 23 23 PRO HD2 H 3.852 0.030 1 183 23 23 PRO HD3 H 3.852 0.030 1 184 23 23 PRO HG2 H 2.183 0.030 2 185 23 23 PRO HG3 H 2.040 0.030 2 186 23 23 PRO C C 175.581 0.300 1 187 23 23 PRO CA C 65.486 0.300 1 188 23 23 PRO CB C 32.055 0.300 1 189 23 23 PRO CD C 51.163 0.300 1 190 23 23 PRO CG C 28.198 0.300 1 191 24 24 ARG H H 7.297 0.030 1 192 24 24 ARG HA H 4.504 0.030 1 193 24 24 ARG HB2 H 2.191 0.030 2 194 24 24 ARG HB3 H 1.497 0.030 2 195 24 24 ARG HD2 H 3.271 0.030 2 196 24 24 ARG HD3 H 3.145 0.030 2 197 24 24 ARG HG2 H 1.518 0.030 2 198 24 24 ARG HG3 H 1.415 0.030 2 199 24 24 ARG C C 176.172 0.300 1 200 24 24 ARG CA C 53.760 0.300 1 201 24 24 ARG CB C 31.595 0.300 1 202 24 24 ARG CD C 43.461 0.300 1 203 24 24 ARG CG C 28.408 0.300 1 204 24 24 ARG N N 104.175 0.300 1 205 25 25 GLN H H 7.008 0.030 1 206 25 25 GLN HA H 5.238 0.030 1 207 25 25 GLN HB2 H 2.212 0.030 2 208 25 25 GLN HB3 H 1.717 0.030 2 209 25 25 GLN HE21 H 7.554 0.030 2 210 25 25 GLN HE22 H 6.654 0.030 2 211 25 25 GLN HG2 H 2.057 0.030 2 212 25 25 GLN HG3 H 2.166 0.030 2 213 25 25 GLN C C 173.631 0.300 1 214 25 25 GLN CA C 54.481 0.300 1 215 25 25 GLN CB C 33.575 0.300 1 216 25 25 GLN CG C 33.563 0.300 1 217 25 25 GLN N N 113.376 0.300 1 218 25 25 GLN NE2 N 111.339 0.300 1 219 26 26 LEU H H 8.088 0.030 1 220 26 26 LEU HA H 4.805 0.030 1 221 26 26 LEU HB2 H 1.425 0.030 2 222 26 26 LEU HB3 H 0.960 0.030 2 223 26 26 LEU HD1 H 0.627 0.030 1 224 26 26 LEU HD2 H 1.017 0.030 1 225 26 26 LEU HG H 1.381 0.030 1 226 26 26 LEU C C 174.129 0.300 1 227 26 26 LEU CA C 53.828 0.300 1 228 26 26 LEU CB C 47.485 0.300 1 229 26 26 LEU CD1 C 25.907 0.300 2 230 26 26 LEU CD2 C 24.088 0.300 2 231 26 26 LEU CG C 25.978 0.300 1 232 26 26 LEU N N 117.590 0.300 1 233 27 27 GLU H H 8.621 0.030 1 234 27 27 GLU HA H 5.348 0.030 1 235 27 27 GLU HB2 H 1.985 0.030 2 236 27 27 GLU HB3 H 1.752 0.030 2 237 27 27 GLU HG2 H 2.124 0.030 2 238 27 27 GLU HG3 H 1.839 0.030 2 239 27 27 GLU C C 174.727 0.300 1 240 27 27 GLU CA C 54.676 0.300 1 241 27 27 GLU CB C 32.569 0.300 1 242 27 27 GLU CG C 35.983 0.300 1 243 27 27 GLU N N 123.807 0.300 1 244 28 28 LEU H H 8.859 0.030 1 245 28 28 LEU HA H 5.472 0.030 1 246 28 28 LEU HB2 H 1.737 0.030 2 247 28 28 LEU HB3 H 1.303 0.030 2 248 28 28 LEU HD1 H 0.512 0.030 1 249 28 28 LEU HD2 H 0.015 0.030 1 250 28 28 LEU HG H 1.270 0.030 1 251 28 28 LEU C C 175.765 0.300 1 252 28 28 LEU CA C 52.855 0.300 1 253 28 28 LEU CB C 46.322 0.300 1 254 28 28 LEU CD1 C 26.519 0.300 2 255 28 28 LEU CD2 C 23.457 0.300 2 256 28 28 LEU CG C 26.943 0.300 1 257 28 28 LEU N N 126.510 0.300 1 258 29 29 THR H H 8.952 0.030 1 259 29 29 THR HA H 4.685 0.030 1 260 29 29 THR HB H 3.983 0.030 1 261 29 29 THR HG2 H 1.040 0.030 1 262 29 29 THR C C 172.129 0.300 1 263 29 29 THR CA C 59.995 0.300 1 264 29 29 THR CB C 71.463 0.300 1 265 29 29 THR CG2 C 20.606 0.300 1 266 29 29 THR N N 111.550 0.300 1 267 30 30 TRP H H 7.557 0.030 1 268 30 30 TRP HA H 5.224 0.030 1 269 30 30 TRP HB2 H 3.206 0.030 2 270 30 30 TRP HB3 H 3.137 0.030 2 271 30 30 TRP HD1 H 6.593 0.030 1 272 30 30 TRP HE1 H 5.986 0.030 1 273 30 30 TRP HE3 H 6.834 0.030 1 274 30 30 TRP HH2 H 6.630 0.030 1 275 30 30 TRP HZ2 H 6.694 0.030 1 276 30 30 TRP HZ3 H 6.490 0.030 1 277 30 30 TRP C C 174.918 0.300 1 278 30 30 TRP CA C 56.375 0.300 1 279 30 30 TRP CB C 29.138 0.300 1 280 30 30 TRP CD1 C 126.513 0.300 1 281 30 30 TRP CE3 C 121.081 0.300 1 282 30 30 TRP CH2 C 123.824 0.300 1 283 30 30 TRP CZ2 C 113.899 0.300 1 284 30 30 TRP CZ3 C 120.268 0.300 1 285 30 30 TRP N N 120.841 0.300 1 286 30 30 TRP NE1 N 124.234 0.300 1 287 31 31 ALA H H 8.216 0.030 1 288 31 31 ALA HA H 4.120 0.030 1 289 31 31 ALA HB H 1.390 0.030 1 290 31 31 ALA C C 178.526 0.300 1 291 31 31 ALA CA C 53.512 0.300 1 292 31 31 ALA CB C 19.494 0.300 1 293 31 31 ALA N N 123.466 0.300 1 294 32 32 GLY H H 8.652 0.030 1 295 33 33 SER HA H 4.561 0.030 1 296 33 33 SER HB2 H 3.963 0.030 1 297 33 33 SER HB3 H 3.963 0.030 1 298 33 33 SER C C 173.885 0.300 1 299 33 33 SER CA C 58.287 0.300 1 300 33 33 SER CB C 64.176 0.300 1 301 34 34 ARG H H 8.192 0.030 1 302 34 34 ARG HB2 H 1.810 0.030 2 303 34 34 ARG HB3 H 1.871 0.030 2 304 34 34 ARG HD2 H 3.247 0.030 2 305 34 34 ARG HG2 H 1.712 0.030 1 306 34 34 ARG HG3 H 1.712 0.030 1 307 34 34 ARG C C 174.049 0.300 1 308 34 34 ARG CA C 53.979 0.300 1 309 34 34 ARG CB C 30.301 0.300 1 310 34 34 ARG CD C 43.424 0.300 1 311 34 34 ARG CG C 26.850 0.300 1 312 34 34 ARG N N 122.591 0.300 1 313 35 35 PRO HA H 4.456 0.030 1 314 35 35 PRO HB2 H 2.290 0.030 2 315 35 35 PRO HB3 H 1.941 0.030 2 316 35 35 PRO HD2 H 3.672 0.030 2 317 35 35 PRO HD3 H 3.813 0.030 2 318 35 35 PRO HG2 H 2.024 0.030 2 319 35 35 PRO HG3 H 2.099 0.030 2 320 35 35 PRO C C 176.767 0.300 1 321 35 35 PRO CA C 63.026 0.300 1 322 35 35 PRO CB C 32.166 0.300 1 323 35 35 PRO CD C 50.586 0.300 1 324 35 35 PRO CG C 27.390 0.300 1 325 36 36 ARG H H 8.546 0.030 1 326 36 36 ARG HA H 4.222 0.030 1 327 36 36 ARG HB2 H 1.845 0.030 2 328 36 36 ARG HB3 H 1.811 0.030 2 329 36 36 ARG HD2 H 3.234 0.030 1 330 36 36 ARG HD3 H 3.234 0.030 1 331 36 36 ARG HG2 H 1.648 0.030 2 332 36 36 ARG HG3 H 1.695 0.030 2 333 36 36 ARG C C 176.009 0.300 1 334 36 36 ARG CA C 56.720 0.300 1 335 36 36 ARG CB C 30.497 0.300 1 336 36 36 ARG CD C 43.413 0.300 1 337 36 36 ARG CG C 27.275 0.300 1 338 36 36 ARG N N 121.137 0.300 1 339 37 37 ASN H H 8.364 0.030 1 340 37 37 ASN HA H 5.034 0.030 1 341 37 37 ASN HB2 H 2.826 0.030 2 342 37 37 ASN HB3 H 2.668 0.030 2 343 37 37 ASN HD21 H 7.643 0.030 2 344 37 37 ASN HD22 H 6.964 0.030 2 345 37 37 ASN CA C 51.139 0.300 1 346 37 37 ASN CB C 39.117 0.300 1 347 37 37 ASN ND2 N 113.283 0.300 1 348 38 38 PRO HA H 4.418 0.030 1 349 38 38 PRO HB2 H 2.281 0.030 2 350 38 38 PRO HB3 H 2.022 0.030 2 351 38 38 PRO HD2 H 3.749 0.030 2 352 38 38 PRO HD3 H 3.797 0.030 2 353 38 38 PRO C C 177.551 0.300 1 354 38 38 PRO CA C 63.895 0.300 1 355 38 38 PRO CB C 32.001 0.300 1 356 38 38 PRO CD C 50.709 0.300 1 357 38 38 PRO CG C 27.427 0.300 1 358 39 39 GLY H H 8.546 0.030 1 359 39 39 GLY HA2 H 4.020 0.030 2 360 39 39 GLY HA3 H 3.929 0.030 2 361 39 39 GLY C C 174.654 0.300 1 362 39 39 GLY CA C 45.366 0.300 1 363 39 39 GLY N N 109.408 0.300 1 364 40 40 GLY H H 8.093 0.030 1 365 40 40 GLY HA2 H 3.919 0.030 2 366 40 40 GLY HA3 H 4.012 0.030 2 367 40 40 GLY C C 173.461 0.300 1 368 40 40 GLY CA C 45.275 0.300 1 369 40 40 GLY N N 108.091 0.300 1 370 41 41 ASN H H 8.371 0.030 1 371 41 41 ASN HA H 4.679 0.030 1 372 41 41 ASN HB2 H 2.800 0.030 2 373 41 41 ASN HB3 H 2.702 0.030 2 374 41 41 ASN HD21 H 7.561 0.030 2 375 41 41 ASN HD22 H 6.916 0.030 2 376 41 41 ASN C C 174.138 0.300 1 377 41 41 ASN CA C 53.474 0.300 1 378 41 41 ASN CB C 38.984 0.300 1 379 41 41 ASN N N 118.162 0.300 1 380 41 41 ASN ND2 N 112.873 0.300 1 381 42 42 LEU H H 8.043 0.030 1 382 42 42 LEU HA H 4.668 0.030 1 383 42 42 LEU HB2 H 1.522 0.030 2 384 42 42 LEU HB3 H 1.367 0.030 2 385 42 42 LEU HD1 H 0.800 0.030 1 386 42 42 LEU HD2 H 0.751 0.030 1 387 42 42 LEU HG H 1.444 0.030 1 388 42 42 LEU C C 175.747 0.300 1 389 42 42 LEU CA C 55.085 0.300 1 390 42 42 LEU CB C 43.931 0.300 1 391 42 42 LEU CD1 C 25.268 0.300 2 392 42 42 LEU CD2 C 24.636 0.300 2 393 42 42 LEU CG C 27.150 0.300 1 394 42 42 LEU N N 122.287 0.300 1 395 43 43 SER H H 8.110 0.030 1 396 43 43 SER HA H 4.557 0.030 1 397 43 43 SER HB2 H 3.943 0.030 2 398 43 43 SER HB3 H 3.879 0.030 2 399 43 43 SER C C 171.345 0.300 1 400 43 43 SER CA C 57.203 0.300 1 401 43 43 SER CB C 65.344 0.300 1 402 43 43 SER N N 116.840 0.300 1 403 44 44 TYR H H 8.946 0.030 1 404 44 44 TYR HA H 5.482 0.030 1 405 44 44 TYR HB2 H 2.970 0.030 2 406 44 44 TYR HB3 H 2.896 0.030 2 407 44 44 TYR HD1 H 6.967 0.030 1 408 44 44 TYR HD2 H 6.967 0.030 1 409 44 44 TYR HE1 H 6.723 0.030 1 410 44 44 TYR HE2 H 6.723 0.030 1 411 44 44 TYR C C 173.779 0.300 1 412 44 44 TYR CA C 56.671 0.300 1 413 44 44 TYR CB C 41.977 0.300 1 414 44 44 TYR CD1 C 134.423 0.300 1 415 44 44 TYR CD2 C 134.423 0.300 1 416 44 44 TYR CE1 C 118.081 0.300 1 417 44 44 TYR CE2 C 118.081 0.300 1 418 44 44 TYR N N 115.287 0.300 1 419 45 45 GLU H H 9.229 0.030 1 420 45 45 GLU HA H 5.218 0.030 1 421 45 45 GLU HB2 H 1.903 0.030 1 422 45 45 GLU HB3 H 1.903 0.030 1 423 45 45 GLU HG2 H 2.385 0.030 2 424 45 45 GLU HG3 H 2.149 0.030 2 425 45 45 GLU C C 174.276 0.300 1 426 45 45 GLU CA C 54.611 0.300 1 427 45 45 GLU CB C 33.788 0.300 1 428 45 45 GLU CG C 36.783 0.300 1 429 45 45 GLU N N 122.630 0.300 1 430 46 46 LEU H H 9.473 0.030 1 431 46 46 LEU HA H 5.253 0.030 1 432 46 46 LEU HB2 H 1.529 0.030 2 433 46 46 LEU HB3 H 1.498 0.030 2 434 46 46 LEU HD1 H 0.646 0.030 1 435 46 46 LEU HD2 H 0.773 0.030 1 436 46 46 LEU HG H 1.526 0.030 1 437 46 46 LEU C C 175.500 0.300 1 438 46 46 LEU CA C 53.687 0.300 1 439 46 46 LEU CB C 45.027 0.300 1 440 46 46 LEU CD1 C 26.746 0.300 2 441 46 46 LEU CD2 C 26.450 0.300 2 442 46 46 LEU CG C 27.963 0.300 1 443 46 46 LEU N N 126.841 0.300 1 444 47 47 HIS H H 9.010 0.030 1 445 47 47 HIS HA H 5.156 0.030 1 446 47 47 HIS HB2 H 2.713 0.030 2 447 47 47 HIS HB3 H 2.588 0.030 2 448 47 47 HIS HD2 H 6.483 0.030 1 449 47 47 HIS HE1 H 7.538 0.030 1 450 47 47 HIS C C 172.997 0.300 1 451 47 47 HIS CA C 53.628 0.300 1 452 47 47 HIS CB C 34.646 0.300 1 453 47 47 HIS CD2 C 115.294 0.300 1 454 47 47 HIS CE1 C 138.238 0.300 1 455 47 47 HIS N N 124.365 0.300 1 456 48 48 VAL H H 8.542 0.030 1 457 48 48 VAL HA H 4.669 0.030 1 458 48 48 VAL HB H 0.346 0.030 1 459 48 48 VAL HG1 H 0.456 0.030 1 460 48 48 VAL HG2 H 0.479 0.030 1 461 48 48 VAL C C 173.674 0.300 1 462 48 48 VAL CA C 60.507 0.300 1 463 48 48 VAL CB C 33.172 0.300 1 464 48 48 VAL CG1 C 22.419 0.300 2 465 48 48 VAL CG2 C 20.899 0.300 2 466 48 48 VAL N N 125.687 0.300 1 467 49 49 LEU H H 9.178 0.030 1 468 49 49 LEU HA H 5.123 0.030 1 469 49 49 LEU HB2 H 1.614 0.030 2 470 49 49 LEU HB3 H 1.427 0.030 2 471 49 49 LEU HD1 H 0.568 0.030 1 472 49 49 LEU HD2 H 0.530 0.030 1 473 49 49 LEU HG H 1.363 0.030 1 474 49 49 LEU C C 175.933 0.300 1 475 49 49 LEU CA C 54.888 0.300 1 476 49 49 LEU CB C 45.568 0.300 1 477 49 49 LEU CD1 C 26.108 0.300 2 478 49 49 LEU CD2 C 24.940 0.300 2 479 49 49 LEU CG C 27.634 0.300 1 480 49 49 LEU N N 124.716 0.300 1 481 50 50 ASN H H 8.744 0.030 1 482 50 50 ASN HA H 4.638 0.030 1 483 50 50 ASN HB2 H 2.950 0.030 2 484 50 50 ASN HB3 H 2.798 0.030 2 485 50 50 ASN HD21 H 7.159 0.030 2 486 50 50 ASN HD22 H 6.573 0.030 2 487 50 50 ASN C C 174.805 0.300 1 488 50 50 ASN CA C 52.432 0.300 1 489 50 50 ASN CB C 40.150 0.300 1 490 50 50 ASN N N 119.669 0.300 1 491 50 50 ASN ND2 N 111.991 0.300 1 492 51 51 GLN H H 8.624 0.030 1 493 51 51 GLN HA H 3.886 0.030 1 494 51 51 GLN HB2 H 2.170 0.030 2 495 51 51 GLN HB3 H 2.081 0.030 2 496 51 51 GLN HE21 H 7.683 0.030 2 497 51 51 GLN HE22 H 6.815 0.030 2 498 51 51 GLN HG2 H 2.393 0.030 2 499 51 51 GLN HG3 H 2.328 0.030 2 500 51 51 GLN C C 175.485 0.300 1 501 51 51 GLN CA C 58.563 0.300 1 502 51 51 GLN CB C 27.742 0.300 1 503 51 51 GLN CG C 33.814 0.300 1 504 51 51 GLN N N 118.090 0.300 1 505 51 51 GLN NE2 N 113.090 0.300 1 506 52 52 ASP H H 8.372 0.030 1 507 52 52 ASP HA H 4.792 0.030 1 508 52 52 ASP HB2 H 2.797 0.030 2 509 52 52 ASP HB3 H 2.666 0.030 2 510 52 52 ASP C C 175.587 0.300 1 511 52 52 ASP CA C 55.171 0.300 1 512 52 52 ASP CB C 42.695 0.300 1 513 52 52 ASP N N 118.171 0.300 1 514 53 53 GLU H H 8.226 0.030 1 515 53 53 GLU HA H 4.725 0.030 1 516 53 53 GLU HB2 H 2.232 0.030 2 517 53 53 GLU HB3 H 2.102 0.030 2 518 53 53 GLU HG2 H 2.317 0.030 1 519 53 53 GLU HG3 H 2.317 0.030 1 520 53 53 GLU C C 173.843 0.300 1 521 53 53 GLU CA C 55.718 0.300 1 522 53 53 GLU CB C 32.883 0.300 1 523 53 53 GLU CG C 36.354 0.300 1 524 53 53 GLU N N 120.861 0.300 1 525 54 54 GLU H H 8.354 0.030 1 526 54 54 GLU HA H 5.459 0.030 1 527 54 54 GLU HB2 H 2.060 0.030 2 528 54 54 GLU HB3 H 2.033 0.030 2 529 54 54 GLU HG2 H 2.225 0.030 2 530 54 54 GLU HG3 H 2.180 0.030 2 531 54 54 GLU C C 175.302 0.300 1 532 54 54 GLU CA C 54.928 0.300 1 533 54 54 GLU CB C 33.397 0.300 1 534 54 54 GLU CG C 35.627 0.300 1 535 54 54 GLU N N 119.629 0.300 1 536 55 55 TRP H H 9.314 0.030 1 537 55 55 TRP HA H 5.109 0.030 1 538 55 55 TRP HB2 H 3.564 0.030 2 539 55 55 TRP HB3 H 3.357 0.030 2 540 55 55 TRP HD1 H 7.006 0.030 1 541 55 55 TRP HE1 H 10.266 0.030 1 542 55 55 TRP HE3 H 7.333 0.030 1 543 55 55 TRP HH2 H 7.017 0.030 1 544 55 55 TRP HZ2 H 7.245 0.030 1 545 55 55 TRP HZ3 H 6.990 0.030 1 546 55 55 TRP C C 173.240 0.300 1 547 55 55 TRP CA C 57.529 0.300 1 548 55 55 TRP CB C 31.591 0.300 1 549 55 55 TRP CD1 C 127.169 0.300 1 550 55 55 TRP CE3 C 121.317 0.300 1 551 55 55 TRP CH2 C 124.701 0.300 1 552 55 55 TRP CZ2 C 114.149 0.300 1 553 55 55 TRP CZ3 C 121.317 0.300 1 554 55 55 TRP N N 122.807 0.300 1 555 55 55 TRP NE1 N 129.157 0.300 1 556 56 56 HIS H H 8.767 0.030 1 557 56 56 HIS HA H 5.940 0.030 1 558 56 56 HIS HB2 H 3.076 0.030 2 559 56 56 HIS HD2 H 6.846 0.030 1 560 56 56 HIS C C 175.066 0.300 1 561 56 56 HIS CA C 53.681 0.300 1 562 56 56 HIS CB C 32.384 0.300 1 563 56 56 HIS CD2 C 119.604 0.300 1 564 56 56 HIS N N 117.633 0.300 1 565 57 57 GLN H H 9.173 0.030 1 566 57 57 GLN HA H 4.945 0.030 1 567 57 57 GLN HB2 H 2.213 0.030 1 568 57 57 GLN HB3 H 2.213 0.030 1 569 57 57 GLN HE21 H 7.414 0.030 2 570 57 57 GLN HE22 H 6.931 0.030 2 571 57 57 GLN HG2 H 2.375 0.030 1 572 57 57 GLN HG3 H 2.375 0.030 1 573 57 57 GLN C C 173.268 0.300 1 574 57 57 GLN CA C 55.404 0.300 1 575 57 57 GLN CB C 33.567 0.300 1 576 57 57 GLN CG C 34.394 0.300 1 577 57 57 GLN N N 119.509 0.300 1 578 57 57 GLN NE2 N 109.716 0.300 1 579 58 58 MET H H 9.031 0.030 1 580 58 58 MET HA H 5.727 0.030 1 581 58 58 MET HB2 H 2.135 0.030 1 582 58 58 MET HB3 H 2.135 0.030 1 583 58 58 MET HE H 2.049 0.030 1 584 58 58 MET HG2 H 2.719 0.030 2 585 58 58 MET HG3 H 2.625 0.030 2 586 58 58 MET C C 176.812 0.300 1 587 58 58 MET CA C 54.499 0.300 1 588 58 58 MET CB C 33.907 0.300 1 589 58 58 MET CE C 17.216 0.300 1 590 58 58 MET CG C 32.578 0.300 1 591 58 58 MET N N 124.133 0.300 1 592 59 59 VAL H H 9.383 0.030 1 593 59 59 VAL HA H 4.978 0.030 1 594 59 59 VAL HB H 2.677 0.030 1 595 59 59 VAL HG1 H 1.313 0.030 1 596 59 59 VAL HG2 H 1.391 0.030 1 597 59 59 VAL C C 175.320 0.300 1 598 59 59 VAL CA C 60.436 0.300 1 599 59 59 VAL CB C 36.579 0.300 1 600 59 59 VAL CG1 C 23.552 0.300 2 601 59 59 VAL CG2 C 20.822 0.300 2 602 59 59 VAL N N 118.783 0.300 1 603 60 60 LEU H H 8.947 0.030 1 604 60 60 LEU HA H 4.684 0.030 1 605 60 60 LEU HB2 H 1.922 0.030 2 606 60 60 LEU HB3 H 1.766 0.030 2 607 60 60 LEU HD1 H 1.006 0.030 1 608 60 60 LEU HD2 H 0.943 0.030 1 609 60 60 LEU HG H 1.774 0.030 1 610 60 60 LEU C C 176.120 0.300 1 611 60 60 LEU CA C 55.436 0.300 1 612 60 60 LEU CB C 42.643 0.300 1 613 60 60 LEU CD1 C 25.055 0.300 2 614 60 60 LEU CD2 C 23.304 0.300 2 615 60 60 LEU CG C 27.634 0.300 1 616 60 60 LEU N N 122.091 0.300 1 617 61 61 GLU H H 7.765 0.030 1 618 61 61 GLU HA H 4.906 0.030 1 619 61 61 GLU HB2 H 2.058 0.030 2 620 61 61 GLU HB3 H 1.897 0.030 2 621 61 61 GLU HG2 H 2.304 0.030 2 622 61 61 GLU HG3 H 2.187 0.030 2 623 61 61 GLU C C 173.976 0.300 1 624 61 61 GLU CA C 52.814 0.300 1 625 61 61 GLU CB C 30.713 0.300 1 626 61 61 GLU CG C 34.752 0.300 1 627 61 61 GLU N N 116.499 0.300 1 628 62 62 PRO HA H 3.363 0.030 1 629 62 62 PRO HB2 H 1.401 0.030 2 630 62 62 PRO HB3 H 0.737 0.030 2 631 62 62 PRO HD2 H 3.565 0.030 2 632 62 62 PRO HD3 H 3.525 0.030 2 633 62 62 PRO HG2 H 1.834 0.030 2 634 62 62 PRO HG3 H 1.552 0.030 2 635 62 62 PRO C C 173.409 0.300 1 636 62 62 PRO CA C 61.729 0.300 1 637 62 62 PRO CB C 26.315 0.300 1 638 62 62 PRO CD C 49.197 0.300 1 639 62 62 PRO CG C 27.333 0.300 1 640 63 63 ARG H H 7.876 0.030 1 641 63 63 ARG HA H 4.168 0.030 1 642 63 63 ARG HB2 H 1.576 0.030 2 643 63 63 ARG HB3 H 1.480 0.030 2 644 63 63 ARG HD2 H 2.990 0.030 2 645 63 63 ARG HD3 H 2.890 0.030 2 646 63 63 ARG HE H 7.420 0.030 1 647 63 63 ARG HG2 H 1.072 0.030 2 648 63 63 ARG HG3 H 1.164 0.030 2 649 63 63 ARG C C 173.916 0.300 1 650 63 63 ARG CA C 55.312 0.300 1 651 63 63 ARG CB C 31.947 0.300 1 652 63 63 ARG CD C 43.043 0.300 1 653 63 63 ARG CG C 25.832 0.300 1 654 63 63 ARG N N 120.412 0.300 1 655 63 63 ARG NE N 83.892 0.300 1 656 64 64 VAL H H 8.651 0.030 1 657 64 64 VAL HA H 4.470 0.030 1 658 64 64 VAL HB H 2.298 0.030 1 659 64 64 VAL HG1 H 0.976 0.030 1 660 64 64 VAL HG2 H 1.017 0.030 1 661 64 64 VAL C C 170.242 0.300 1 662 64 64 VAL CA C 60.705 0.300 1 663 64 64 VAL CB C 35.520 0.300 1 664 64 64 VAL CG1 C 19.723 0.300 2 665 64 64 VAL CG2 C 22.320 0.300 2 666 64 64 VAL N N 118.267 0.300 1 667 65 65 LEU H H 8.294 0.030 1 668 65 65 LEU HA H 4.962 0.030 1 669 65 65 LEU HB2 H 1.804 0.030 2 670 65 65 LEU HB3 H 1.151 0.030 2 671 65 65 LEU HD1 H 0.739 0.030 1 672 65 65 LEU HD2 H 0.719 0.030 1 673 65 65 LEU HG H 1.147 0.030 1 674 65 65 LEU C C 176.050 0.300 1 675 65 65 LEU CA C 53.450 0.300 1 676 65 65 LEU CB C 43.371 0.300 1 677 65 65 LEU CD1 C 25.407 0.300 2 678 65 65 LEU CD2 C 23.506 0.300 2 679 65 65 LEU CG C 27.304 0.300 1 680 65 65 LEU N N 128.612 0.300 1 681 66 66 LEU H H 9.263 0.030 1 682 66 66 LEU HA H 4.691 0.030 1 683 66 66 LEU HB2 H 1.877 0.030 2 684 66 66 LEU HB3 H 1.363 0.030 2 685 66 66 LEU HD1 H 0.699 0.030 1 686 66 66 LEU HD2 H 0.910 0.030 1 687 66 66 LEU HG H 1.649 0.030 1 688 66 66 LEU C C 175.879 0.300 1 689 66 66 LEU CA C 53.916 0.300 1 690 66 66 LEU CB C 43.354 0.300 1 691 66 66 LEU CD1 C 25.834 0.300 2 692 66 66 LEU CD2 C 23.970 0.300 2 693 66 66 LEU CG C 26.660 0.300 1 694 66 66 LEU N N 128.731 0.300 1 695 67 67 THR H H 8.007 0.030 1 696 67 67 THR HA H 4.920 0.030 1 697 67 67 THR HB H 4.307 0.030 1 698 67 67 THR HG2 H 1.086 0.030 1 699 67 67 THR C C 172.809 0.300 1 700 67 67 THR CA C 59.712 0.300 1 701 67 67 THR CB C 71.690 0.300 1 702 67 67 THR CG2 C 21.701 0.300 1 703 67 67 THR N N 111.825 0.300 1 704 68 68 LYS H H 8.737 0.030 1 705 68 68 LYS HA H 3.828 0.030 1 706 68 68 LYS HB2 H 1.881 0.030 1 707 68 68 LYS HB3 H 1.881 0.030 1 708 68 68 LYS HD2 H 1.598 0.030 2 709 68 68 LYS HD3 H 1.661 0.030 2 710 68 68 LYS HE2 H 2.952 0.030 1 711 68 68 LYS HE3 H 2.952 0.030 1 712 68 68 LYS HG2 H 1.395 0.030 2 713 68 68 LYS HG3 H 1.342 0.030 2 714 68 68 LYS C C 176.344 0.300 1 715 68 68 LYS CA C 57.150 0.300 1 716 68 68 LYS CB C 29.206 0.300 1 717 68 68 LYS CD C 29.185 0.300 1 718 68 68 LYS CE C 42.273 0.300 1 719 68 68 LYS CG C 25.228 0.300 1 720 68 68 LYS N N 114.089 0.300 1 721 69 69 LEU H H 8.023 0.030 1 722 69 69 LEU HA H 4.426 0.030 1 723 69 69 LEU HB2 H 1.544 0.030 2 724 69 69 LEU HB3 H 1.010 0.030 2 725 69 69 LEU HD1 H 0.174 0.030 1 726 69 69 LEU HD2 H 0.274 0.030 1 727 69 69 LEU HG H 1.057 0.030 1 728 69 69 LEU C C 175.797 0.300 1 729 69 69 LEU CA C 52.979 0.300 1 730 69 69 LEU CB C 41.541 0.300 1 731 69 69 LEU CD1 C 26.547 0.300 2 732 69 69 LEU CD2 C 20.135 0.300 2 733 69 69 LEU CG C 26.292 0.300 1 734 69 69 LEU N N 116.813 0.300 1 735 70 70 GLN H H 8.319 0.030 1 736 70 70 GLN HA H 4.894 0.030 1 737 70 70 GLN HB2 H 2.098 0.030 2 738 70 70 GLN HB3 H 1.991 0.030 2 739 70 70 GLN HE21 H 7.745 0.030 2 740 70 70 GLN HE22 H 6.868 0.030 2 741 70 70 GLN HG2 H 2.518 0.030 1 742 70 70 GLN HG3 H 2.518 0.030 1 743 70 70 GLN C C 174.218 0.300 1 744 70 70 GLN CA C 52.273 0.300 1 745 70 70 GLN CB C 30.159 0.300 1 746 70 70 GLN CG C 33.188 0.300 1 747 70 70 GLN N N 118.153 0.300 1 748 70 70 GLN NE2 N 113.508 0.300 1 749 71 71 PRO HA H 5.446 0.030 1 750 71 71 PRO HB2 H 2.288 0.030 2 751 71 71 PRO HB3 H 1.837 0.030 2 752 71 71 PRO HD2 H 3.621 0.030 2 753 71 71 PRO HD3 H 3.803 0.030 2 754 71 71 PRO HG2 H 2.055 0.030 2 755 71 71 PRO HG3 H 1.742 0.030 2 756 71 71 PRO C C 177.540 0.300 1 757 71 71 PRO CA C 62.814 0.300 1 758 71 71 PRO CB C 32.620 0.300 1 759 71 71 PRO CD C 51.119 0.300 1 760 71 71 PRO CG C 27.469 0.300 1 761 72 72 ASP H H 7.931 0.030 1 762 72 72 ASP HA H 4.234 0.030 1 763 72 72 ASP HB2 H 3.189 0.030 2 764 72 72 ASP HB3 H 1.980 0.030 2 765 72 72 ASP C C 174.107 0.300 1 766 72 72 ASP CA C 54.376 0.300 1 767 72 72 ASP CB C 41.528 0.300 1 768 72 72 ASP N N 127.157 0.300 1 769 73 73 THR H H 8.237 0.030 1 770 73 73 THR HA H 4.429 0.030 1 771 73 73 THR HB H 4.003 0.030 1 772 73 73 THR HG2 H 0.714 0.030 1 773 73 73 THR C C 172.122 0.300 1 774 73 73 THR CA C 63.022 0.300 1 775 73 73 THR CB C 71.766 0.300 1 776 73 73 THR CG2 C 19.937 0.300 1 777 73 73 THR N N 113.464 0.300 1 778 74 74 THR H H 8.443 0.030 1 779 74 74 THR HA H 4.654 0.030 1 780 74 74 THR HB H 3.917 0.030 1 781 74 74 THR HG2 H 1.090 0.030 1 782 74 74 THR C C 173.099 0.300 1 783 74 74 THR CA C 63.105 0.300 1 784 74 74 THR CB C 69.222 0.300 1 785 74 74 THR CG2 C 22.472 0.300 1 786 74 74 THR N N 123.182 0.300 1 787 75 75 TYR H H 9.370 0.030 1 788 75 75 TYR HA H 4.636 0.030 1 789 75 75 TYR HB2 H 2.582 0.030 1 790 75 75 TYR HB3 H 2.582 0.030 1 791 75 75 TYR HD1 H 6.961 0.030 1 792 75 75 TYR HD2 H 6.961 0.030 1 793 75 75 TYR HE1 H 6.916 0.030 1 794 75 75 TYR HE2 H 6.916 0.030 1 795 75 75 TYR C C 173.935 0.300 1 796 75 75 TYR CA C 58.263 0.300 1 797 75 75 TYR CB C 41.004 0.300 1 798 75 75 TYR CD1 C 133.259 0.300 1 799 75 75 TYR CD2 C 133.259 0.300 1 800 75 75 TYR CE1 C 118.711 0.300 1 801 75 75 TYR CE2 C 118.711 0.300 1 802 75 75 TYR N N 127.125 0.300 1 803 76 76 ILE H H 9.061 0.030 1 804 76 76 ILE HA H 4.856 0.030 1 805 76 76 ILE HB H 1.769 0.030 1 806 76 76 ILE HD1 H 0.721 0.030 1 807 76 76 ILE HG12 H 1.454 0.030 2 808 76 76 ILE HG13 H 1.078 0.030 2 809 76 76 ILE HG2 H 0.660 0.030 1 810 76 76 ILE C C 175.639 0.300 1 811 76 76 ILE CA C 59.606 0.300 1 812 76 76 ILE CB C 37.904 0.300 1 813 76 76 ILE CD1 C 12.668 0.300 1 814 76 76 ILE CG1 C 28.122 0.300 1 815 76 76 ILE CG2 C 17.705 0.300 1 816 76 76 ILE N N 123.591 0.300 1 817 77 77 VAL H H 9.203 0.030 1 818 77 77 VAL HA H 5.109 0.030 1 819 77 77 VAL HB H 1.832 0.030 1 820 77 77 VAL HG1 H 0.708 0.030 1 821 77 77 VAL HG2 H 0.933 0.030 1 822 77 77 VAL C C 174.410 0.300 1 823 77 77 VAL CA C 60.507 0.300 1 824 77 77 VAL CB C 35.499 0.300 1 825 77 77 VAL CG1 C 22.670 0.300 2 826 77 77 VAL CG2 C 21.480 0.300 2 827 77 77 VAL N N 125.656 0.300 1 828 78 78 ARG H H 8.545 0.030 1 829 78 78 ARG HA H 4.640 0.030 1 830 78 78 ARG HB2 H 1.960 0.030 2 831 78 78 ARG HB3 H 1.569 0.030 2 832 78 78 ARG HD2 H 2.581 0.030 2 833 78 78 ARG HD3 H 2.437 0.030 2 834 78 78 ARG HE H 7.636 0.030 1 835 78 78 ARG HG2 H 1.449 0.030 2 836 78 78 ARG HG3 H 1.165 0.030 2 837 78 78 ARG C C 173.656 0.300 1 838 78 78 ARG CA C 54.447 0.300 1 839 78 78 ARG CB C 33.864 0.300 1 840 78 78 ARG CD C 43.132 0.300 1 841 78 78 ARG CG C 26.727 0.300 1 842 78 78 ARG N N 121.966 0.300 1 843 78 78 ARG NE N 85.239 0.300 1 844 79 79 VAL H H 8.447 0.030 1 845 79 79 VAL HA H 5.564 0.030 1 846 79 79 VAL HB H 1.133 0.030 1 847 79 79 VAL HG1 H 0.165 0.030 1 848 79 79 VAL HG2 H 0.050 0.030 1 849 79 79 VAL C C 173.240 0.300 1 850 79 79 VAL CA C 59.093 0.300 1 851 79 79 VAL CB C 36.196 0.300 1 852 79 79 VAL CG1 C 19.671 0.300 2 853 79 79 VAL CG2 C 21.704 0.300 2 854 79 79 VAL N N 119.509 0.300 1 855 80 80 ARG H H 8.926 0.030 1 856 80 80 ARG HA H 4.993 0.030 1 857 80 80 ARG HB2 H 1.372 0.030 2 858 80 80 ARG HB3 H 0.645 0.030 2 859 80 80 ARG HD2 H 2.735 0.030 2 860 80 80 ARG HD3 H 0.902 0.030 2 861 80 80 ARG HE H 6.281 0.030 1 862 80 80 ARG HG2 H 1.071 0.030 2 863 80 80 ARG HG3 H 0.982 0.030 2 864 80 80 ARG C C 174.360 0.300 1 865 80 80 ARG CA C 53.577 0.300 1 866 80 80 ARG CB C 34.565 0.300 1 867 80 80 ARG CD C 43.494 0.300 1 868 80 80 ARG CG C 24.758 0.300 1 869 80 80 ARG N N 122.970 0.300 1 870 80 80 ARG NE N 83.005 0.300 1 871 81 81 THR H H 9.103 0.030 1 872 81 81 THR HA H 4.510 0.030 1 873 81 81 THR HB H 3.994 0.030 1 874 81 81 THR HG2 H 1.242 0.030 1 875 81 81 THR C C 173.503 0.300 1 876 81 81 THR CA C 62.099 0.300 1 877 81 81 THR CB C 70.103 0.300 1 878 81 81 THR CG2 C 23.206 0.300 1 879 81 81 THR N N 116.465 0.300 1 880 82 82 LEU H H 8.619 0.030 1 881 82 82 LEU HA H 4.483 0.030 1 882 82 82 LEU HB2 H 1.602 0.030 2 883 82 82 LEU HB3 H 1.285 0.030 2 884 82 82 LEU HD1 H 0.802 0.030 1 885 82 82 LEU HD2 H 0.802 0.030 1 886 82 82 LEU HG H 1.391 0.030 1 887 82 82 LEU C C 175.508 0.300 1 888 82 82 LEU CA C 54.870 0.300 1 889 82 82 LEU CB C 42.046 0.300 1 890 82 82 LEU CD1 C 25.299 0.300 2 891 82 82 LEU CD2 C 23.196 0.300 2 892 82 82 LEU CG C 27.222 0.300 1 893 82 82 LEU N N 124.432 0.300 1 894 83 83 THR H H 7.240 0.030 1 895 83 83 THR HA H 5.099 0.030 1 896 83 83 THR HB H 4.633 0.030 1 897 83 83 THR HG2 H 1.195 0.030 1 898 83 83 THR C C 174.896 0.300 1 899 83 83 THR CA C 59.490 0.300 1 900 83 83 THR CB C 69.898 0.300 1 901 83 83 THR CG2 C 21.010 0.300 1 902 83 83 THR N N 112.964 0.300 1 903 84 84 PRO HA H 4.395 0.030 1 904 84 84 PRO HB2 H 2.488 0.030 2 905 84 84 PRO HB3 H 1.857 0.030 2 906 84 84 PRO HD2 H 4.012 0.030 2 907 84 84 PRO HD3 H 3.802 0.030 2 908 84 84 PRO HG2 H 2.154 0.030 2 909 84 84 PRO HG3 H 2.008 0.030 2 910 84 84 PRO C C 177.047 0.300 1 911 84 84 PRO CA C 64.997 0.300 1 912 84 84 PRO CB C 31.988 0.300 1 913 84 84 PRO CD C 51.107 0.300 1 914 84 84 PRO CG C 28.211 0.300 1 915 85 85 LEU H H 7.529 0.030 1 916 85 85 LEU HA H 4.390 0.030 1 917 85 85 LEU HB2 H 1.666 0.030 2 918 85 85 LEU HB3 H 1.490 0.030 2 919 85 85 LEU HD1 H 0.893 0.030 1 920 85 85 LEU HD2 H 0.835 0.030 1 921 85 85 LEU HG H 1.598 0.030 1 922 85 85 LEU C C 176.799 0.300 1 923 85 85 LEU CA C 54.623 0.300 1 924 85 85 LEU CB C 41.886 0.300 1 925 85 85 LEU CD1 C 25.071 0.300 2 926 85 85 LEU CD2 C 22.837 0.300 2 927 85 85 LEU CG C 27.247 0.300 1 928 85 85 LEU N N 114.818 0.300 1 929 86 86 GLY H H 7.678 0.030 1 930 86 86 GLY HA2 H 4.659 0.030 2 931 86 86 GLY HA3 H 3.863 0.030 2 932 86 86 GLY C C 172.282 0.300 1 933 86 86 GLY CA C 43.948 0.300 1 934 86 86 GLY N N 108.572 0.300 1 935 87 87 PRO HA H 4.925 0.030 1 936 87 87 PRO HB2 H 1.990 0.030 2 937 87 87 PRO HB3 H 1.870 0.030 2 938 87 87 PRO HD2 H 3.611 0.030 1 939 87 87 PRO HD3 H 3.611 0.030 1 940 87 87 PRO HG2 H 2.027 0.030 2 941 87 87 PRO HG3 H 1.918 0.030 2 942 87 87 PRO C C 178.235 0.300 1 943 87 87 PRO CA C 62.622 0.300 1 944 87 87 PRO CB C 32.023 0.300 1 945 87 87 PRO CD C 49.883 0.300 1 946 87 87 PRO CG C 26.773 0.300 1 947 88 88 GLY H H 8.855 0.030 1 948 88 88 GLY HA2 H 4.350 0.030 2 949 88 88 GLY HA3 H 3.887 0.030 2 950 88 88 GLY C C 170.975 0.300 1 951 88 88 GLY CA C 43.935 0.300 1 952 88 88 GLY N N 111.661 0.300 1 953 89 89 PRO HA H 4.421 0.030 1 954 89 89 PRO HB2 H 2.294 0.030 2 955 89 89 PRO HB3 H 1.855 0.030 2 956 89 89 PRO HD2 H 3.568 0.030 1 957 89 89 PRO HD3 H 3.568 0.030 1 958 89 89 PRO HG2 H 1.990 0.030 2 959 89 89 PRO C C 178.483 0.300 1 960 89 89 PRO CA C 62.215 0.300 1 961 89 89 PRO CB C 32.107 0.300 1 962 89 89 PRO CD C 49.164 0.300 1 963 89 89 PRO CG C 27.304 0.300 1 964 90 90 PHE H H 8.745 0.030 1 965 90 90 PHE HA H 4.608 0.030 1 966 90 90 PHE HB2 H 3.375 0.030 2 967 90 90 PHE HB3 H 2.815 0.030 2 968 90 90 PHE HD1 H 7.131 0.030 1 969 90 90 PHE HD2 H 7.131 0.030 1 970 90 90 PHE HE1 H 7.079 0.030 1 971 90 90 PHE HE2 H 7.079 0.030 1 972 90 90 PHE HZ H 6.694 0.030 1 973 90 90 PHE C C 177.990 0.300 1 974 90 90 PHE CA C 60.224 0.300 1 975 90 90 PHE CB C 40.165 0.300 1 976 90 90 PHE CD1 C 131.790 0.300 1 977 90 90 PHE CD2 C 131.790 0.300 1 978 90 90 PHE CE1 C 131.516 0.300 1 979 90 90 PHE CE2 C 131.516 0.300 1 980 90 90 PHE CZ C 128.956 0.300 1 981 90 90 PHE N N 120.162 0.300 1 982 91 91 SER H H 9.233 0.030 1 983 91 91 SER HB2 H 4.058 0.030 2 984 91 91 SER HB3 H 4.582 0.030 2 985 91 91 SER C C 170.709 0.300 1 986 91 91 SER CA C 57.593 0.300 1 987 91 91 SER CB C 63.669 0.300 1 988 91 91 SER N N 117.056 0.300 1 989 92 92 PRO HA H 4.563 0.030 1 990 92 92 PRO HB2 H 2.404 0.030 2 991 92 92 PRO HB3 H 1.614 0.030 2 992 92 92 PRO HD2 H 3.857 0.030 2 993 92 92 PRO HD3 H 4.039 0.030 2 994 92 92 PRO HG2 H 2.094 0.030 2 995 92 92 PRO HG3 H 2.060 0.030 2 996 92 92 PRO C C 176.735 0.300 1 997 92 92 PRO CA C 63.026 0.300 1 998 92 92 PRO CB C 32.319 0.300 1 999 92 92 PRO CD C 50.625 0.300 1 1000 92 92 PRO CG C 28.128 0.300 1 1001 93 93 ASP H H 8.759 0.030 1 1002 93 93 ASP HA H 4.347 0.030 1 1003 93 93 ASP HB2 H 2.470 0.030 2 1004 93 93 ASP HB3 H 2.284 0.030 2 1005 93 93 ASP C C 176.605 0.300 1 1006 93 93 ASP CA C 55.744 0.300 1 1007 93 93 ASP CB C 40.344 0.300 1 1008 93 93 ASP N N 124.971 0.300 1 1009 94 94 HIS H H 8.733 0.030 1 1010 94 94 HIS HA H 4.544 0.030 1 1011 94 94 HIS HB2 H 2.934 0.030 2 1012 94 94 HIS HB3 H 2.742 0.030 2 1013 94 94 HIS HD2 H 7.110 0.030 1 1014 94 94 HIS HE1 H 7.756 0.030 1 1015 94 94 HIS C C 172.836 0.300 1 1016 94 94 HIS CA C 55.171 0.300 1 1017 94 94 HIS CB C 32.306 0.300 1 1018 94 94 HIS CD2 C 128.366 0.300 1 1019 94 94 HIS CE1 C 139.569 0.300 1 1020 94 94 HIS N N 122.298 0.300 1 1021 95 95 GLU H H 8.194 0.030 1 1022 95 95 GLU HA H 4.946 0.030 1 1023 95 95 GLU HB2 H 1.697 0.030 1 1024 95 95 GLU HB3 H 1.697 0.030 1 1025 95 95 GLU HG2 H 2.045 0.030 2 1026 95 95 GLU HG3 H 1.895 0.030 2 1027 95 95 GLU C C 175.157 0.300 1 1028 95 95 GLU CA C 55.064 0.300 1 1029 95 95 GLU CB C 31.770 0.300 1 1030 95 95 GLU CG C 36.685 0.300 1 1031 95 95 GLU N N 121.966 0.300 1 1032 96 96 PHE H H 9.096 0.030 1 1033 96 96 PHE HA H 5.045 0.030 1 1034 96 96 PHE HB2 H 3.122 0.030 2 1035 96 96 PHE HB3 H 2.599 0.030 2 1036 96 96 PHE HD1 H 7.215 0.030 1 1037 96 96 PHE HD2 H 7.215 0.030 1 1038 96 96 PHE HE1 H 7.115 0.030 1 1039 96 96 PHE HE2 H 7.115 0.030 1 1040 96 96 PHE HZ H 6.963 0.030 1 1041 96 96 PHE C C 173.023 0.300 1 1042 96 96 PHE CA C 56.720 0.300 1 1043 96 96 PHE CB C 44.962 0.300 1 1044 96 96 PHE CD1 C 132.486 0.300 1 1045 96 96 PHE CD2 C 132.486 0.300 1 1046 96 96 PHE CE1 C 131.381 0.300 1 1047 96 96 PHE CE2 C 131.381 0.300 1 1048 96 96 PHE CZ C 128.868 0.300 1 1049 96 96 PHE N N 122.537 0.300 1 1050 97 97 ARG H H 8.605 0.030 1 1051 97 97 ARG HA H 5.708 0.030 1 1052 97 97 ARG HB2 H 1.737 0.030 2 1053 97 97 ARG HB3 H 1.580 0.030 2 1054 97 97 ARG HD2 H 3.017 0.030 1 1055 97 97 ARG HD3 H 3.017 0.030 1 1056 97 97 ARG HE H 6.849 0.030 1 1057 97 97 ARG HG2 H 1.930 0.030 2 1058 97 97 ARG HG3 H 1.362 0.030 2 1059 97 97 ARG C C 177.136 0.300 1 1060 97 97 ARG CA C 53.951 0.300 1 1061 97 97 ARG CB C 33.762 0.300 1 1062 97 97 ARG CD C 43.950 0.300 1 1063 97 97 ARG CG C 27.469 0.300 1 1064 97 97 ARG N N 123.913 0.300 1 1065 97 97 ARG NE N 85.477 0.300 1 1066 98 98 THR H H 8.753 0.030 1 1067 98 98 THR HA H 4.226 0.030 1 1068 98 98 THR HB H 5.042 0.030 1 1069 98 98 THR HG2 H 1.221 0.030 1 1070 98 98 THR C C 175.918 0.300 1 1071 98 98 THR CA C 61.479 0.300 1 1072 98 98 THR CB C 69.819 0.300 1 1073 98 98 THR CG2 C 25.358 0.300 1 1074 98 98 THR N N 114.976 0.300 1 1075 99 99 SER H H 7.095 0.030 1 1076 99 99 SER HA H 4.561 0.030 1 1077 99 99 SER HB2 H 3.994 0.030 2 1078 99 99 SER HB3 H 3.256 0.030 2 1079 99 99 SER C C 171.435 0.300 1 1080 99 99 SER CA C 58.218 0.300 1 1081 99 99 SER CB C 62.417 0.300 1 1082 99 99 SER N N 115.537 0.300 1 1083 100 100 PRO HA H 4.653 0.030 1 1084 100 100 PRO HB2 H 2.464 0.030 2 1085 100 100 PRO HB3 H 1.898 0.030 2 1086 100 100 PRO HD2 H 3.930 0.030 2 1087 100 100 PRO HD3 H 3.577 0.030 2 1088 100 100 PRO HG2 H 2.023 0.030 2 1089 100 100 PRO CA C 62.057 0.300 1 1090 100 100 PRO CB C 30.271 0.300 1 1091 100 100 PRO CD C 50.368 0.300 1 1092 100 100 PRO CG C 27.785 0.300 1 1093 101 101 PRO HA H 4.359 0.030 1 1094 101 101 PRO HB2 H 2.232 0.030 2 1095 101 101 PRO HB3 H 2.018 0.030 2 1096 101 101 PRO HD2 H 3.713 0.030 2 1097 101 101 PRO HD3 H 3.616 0.030 2 1098 101 101 PRO HG2 H 2.114 0.030 2 1099 101 101 PRO C C 176.707 0.300 1 1100 101 101 PRO CA C 63.302 0.300 1 1101 101 101 PRO CB C 31.935 0.300 1 1102 101 101 PRO CD C 50.214 0.300 1 1103 101 101 PRO CG C 27.469 0.300 1 1104 102 102 SER H H 8.270 0.030 1 1105 102 102 SER HA H 4.487 0.030 1 1106 102 102 SER HB2 H 3.895 0.030 2 1107 102 102 SER C C 174.615 0.300 1 1108 102 102 SER CA C 58.232 0.300 1 1109 102 102 SER CB C 64.069 0.300 1 1110 102 102 SER N N 115.216 0.300 1 1111 103 103 GLY H H 8.259 0.030 1 1112 103 103 GLY HA2 H 4.147 0.030 2 1113 103 103 GLY C C 171.749 0.300 1 1114 103 103 GLY CA C 44.689 0.300 1 1115 103 103 GLY N N 110.714 0.300 1 1116 104 104 PRO HA H 4.495 0.030 1 1117 104 104 PRO HB2 H 2.295 0.030 2 1118 104 104 PRO HD2 H 3.650 0.030 1 1119 104 104 PRO HD3 H 3.650 0.030 1 1120 104 104 PRO HG2 H 2.022 0.030 2 1121 104 104 PRO CA C 63.283 0.300 1 1122 104 104 PRO CB C 32.297 0.300 1 1123 104 104 PRO CD C 49.805 0.300 1 1124 104 104 PRO CG C 27.169 0.300 1 stop_ save_