data_11311 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the FAS1 domain of human transforming growth factor-beta induced protein IG-H3 ; _BMRB_accession_number 11311 _BMRB_flat_file_name bmr11311.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yoneyama M. . . 2 Tomizawa T. . . 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" 790 "13C chemical shifts" 608 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the FAS1 domain of human transforming growth factor-beta induced protein IG-H3 ; _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 Tomizawa T. . . 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 'Transforming growth factor-beta induced protein IG-H3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FAS1 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 'FAS1 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; GSSGSSGMGTVMDVLKGDNR FSMLVAAIQSAGLTETLNRE GVYTVFAPTNEAFRALPPRE RSRLLGDAKELANILKYHIG DEILVSGGIGALVRLKSLQG DKLEVSLKNNVVSVNKEPVA EPDIMATNGVVHVITNVLQP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 GLY 10 THR 11 VAL 12 MET 13 ASP 14 VAL 15 LEU 16 LYS 17 GLY 18 ASP 19 ASN 20 ARG 21 PHE 22 SER 23 MET 24 LEU 25 VAL 26 ALA 27 ALA 28 ILE 29 GLN 30 SER 31 ALA 32 GLY 33 LEU 34 THR 35 GLU 36 THR 37 LEU 38 ASN 39 ARG 40 GLU 41 GLY 42 VAL 43 TYR 44 THR 45 VAL 46 PHE 47 ALA 48 PRO 49 THR 50 ASN 51 GLU 52 ALA 53 PHE 54 ARG 55 ALA 56 LEU 57 PRO 58 PRO 59 ARG 60 GLU 61 ARG 62 SER 63 ARG 64 LEU 65 LEU 66 GLY 67 ASP 68 ALA 69 LYS 70 GLU 71 LEU 72 ALA 73 ASN 74 ILE 75 LEU 76 LYS 77 TYR 78 HIS 79 ILE 80 GLY 81 ASP 82 GLU 83 ILE 84 LEU 85 VAL 86 SER 87 GLY 88 GLY 89 ILE 90 GLY 91 ALA 92 LEU 93 VAL 94 ARG 95 LEU 96 LYS 97 SER 98 LEU 99 GLN 100 GLY 101 ASP 102 LYS 103 LEU 104 GLU 105 VAL 106 SER 107 LEU 108 LYS 109 ASN 110 ASN 111 VAL 112 VAL 113 SER 114 VAL 115 ASN 116 LYS 117 GLU 118 PRO 119 VAL 120 ALA 121 GLU 122 PRO 123 ASP 124 ILE 125 MET 126 ALA 127 THR 128 ASN 129 GLY 130 VAL 131 VAL 132 HIS 133 VAL 134 ILE 135 THR 136 ASN 137 VAL 138 LEU 139 GLN 140 PRO 141 SER 142 GLY 143 PRO 144 SER 145 SER 146 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 BMRB 18466 Wild-type_FAS1-4 92.47 135 99.26 100.00 3.53e-90 BMRB 18467 FAS1-4_R555W 91.78 135 98.51 99.25 2.36e-88 BMRB 25425 FAS1-4_domain_of_TGFBIp 92.47 158 98.52 99.26 3.12e-89 PDB 1X3B "Solution Structure Of The Fas1 Domain Of Human Transforming Growth Factor-Beta Induced Protein Ig-H3" 100.00 146 100.00 100.00 1.83e-98 PDB 2LTB "Wild-type Fas1-4" 92.47 135 99.26 100.00 3.53e-90 PDB 2LTC "Fas1-4, R555w" 91.78 135 98.51 99.25 2.36e-88 PDB 2VXP "The Fourth Fas1 Domain Structure Of Human Bigh3" 90.41 132 100.00 100.00 2.87e-88 GB AAC24944 "BIGH3 [Homo sapiens]" 91.10 212 100.00 100.00 1.55e-88 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 . P040524-06 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.39mM FAS1 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 0.39 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 0.921 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 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 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 'FAS1 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 6 6 SER HA H 4.463 0.030 1 2 6 6 SER HB2 H 3.895 0.030 2 3 6 6 SER HB3 H 3.863 0.030 2 4 6 6 SER C C 174.922 0.300 1 5 6 6 SER CA C 58.694 0.300 1 6 6 6 SER CB C 63.731 0.300 1 7 7 7 GLY H H 8.386 0.030 1 8 7 7 GLY HA2 H 3.912 0.030 1 9 7 7 GLY HA3 H 3.912 0.030 1 10 7 7 GLY C C 173.842 0.300 1 11 7 7 GLY CA C 45.287 0.300 1 12 7 7 GLY N N 110.540 0.300 1 13 8 8 MET H H 8.130 0.030 1 14 8 8 MET HA H 4.452 0.030 1 15 8 8 MET HB2 H 1.998 0.030 1 16 8 8 MET HB3 H 1.998 0.030 1 17 8 8 MET HG2 H 2.554 0.030 1 18 8 8 MET HG3 H 2.554 0.030 1 19 8 8 MET C C 175.905 0.300 1 20 8 8 MET CA C 55.944 0.300 1 21 8 8 MET CB C 34.055 0.300 1 22 8 8 MET CG C 32.009 0.300 1 23 8 8 MET N N 120.006 0.300 1 24 9 9 GLY H H 8.369 0.030 1 25 9 9 GLY HA2 H 4.426 0.030 2 26 9 9 GLY HA3 H 4.106 0.030 2 27 9 9 GLY C C 173.972 0.300 1 28 9 9 GLY CA C 44.403 0.300 1 29 9 9 GLY N N 110.983 0.300 1 30 10 10 THR H H 9.224 0.030 1 31 10 10 THR HA H 4.420 0.030 1 32 10 10 THR HB H 4.714 0.030 1 33 10 10 THR HG2 H 1.201 0.030 1 34 10 10 THR C C 176.383 0.300 1 35 10 10 THR CA C 61.870 0.300 1 36 10 10 THR CB C 72.963 0.300 1 37 10 10 THR CG2 C 21.754 0.300 1 38 10 10 THR N N 111.286 0.300 1 39 11 11 VAL H H 9.892 0.030 1 40 11 11 VAL HA H 3.232 0.030 1 41 11 11 VAL HB H 1.983 0.030 1 42 11 11 VAL HG1 H 0.777 0.030 1 43 11 11 VAL HG2 H 0.688 0.030 1 44 11 11 VAL C C 177.258 0.300 1 45 11 11 VAL CA C 67.182 0.300 1 46 11 11 VAL CB C 31.557 0.300 1 47 11 11 VAL CG1 C 21.190 0.300 2 48 11 11 VAL CG2 C 22.285 0.300 2 49 11 11 VAL N N 118.271 0.300 1 50 12 12 MET H H 6.952 0.030 1 51 12 12 MET HA H 4.342 0.030 1 52 12 12 MET HB2 H 1.858 0.030 2 53 12 12 MET HB3 H 1.621 0.030 2 54 12 12 MET HE H 1.984 0.030 1 55 12 12 MET HG2 H 2.479 0.030 2 56 12 12 MET HG3 H 2.321 0.030 2 57 12 12 MET C C 178.105 0.300 1 58 12 12 MET CA C 55.969 0.300 1 59 12 12 MET CB C 30.520 0.300 1 60 12 12 MET CE C 16.700 0.300 1 61 12 12 MET CG C 31.289 0.300 1 62 12 12 MET N N 114.121 0.300 1 63 13 13 ASP H H 7.427 0.030 1 64 13 13 ASP HA H 4.237 0.030 1 65 13 13 ASP HB2 H 2.662 0.030 2 66 13 13 ASP HB3 H 3.033 0.030 2 67 13 13 ASP C C 179.744 0.300 1 68 13 13 ASP CA C 58.189 0.300 1 69 13 13 ASP CB C 40.322 0.300 1 70 13 13 ASP N N 120.406 0.300 1 71 14 14 VAL H H 8.131 0.030 1 72 14 14 VAL HA H 3.555 0.030 1 73 14 14 VAL HB H 2.190 0.030 1 74 14 14 VAL HG1 H 0.750 0.030 1 75 14 14 VAL HG2 H 0.925 0.030 1 76 14 14 VAL C C 179.088 0.300 1 77 14 14 VAL CA C 66.075 0.300 1 78 14 14 VAL CB C 31.572 0.300 1 79 14 14 VAL CG1 C 20.893 0.300 2 80 14 14 VAL CG2 C 22.561 0.300 2 81 14 14 VAL N N 121.401 0.300 1 82 15 15 LEU H H 7.856 0.030 1 83 15 15 LEU HA H 4.003 0.030 1 84 15 15 LEU HB2 H 1.042 0.030 2 85 15 15 LEU HB3 H 1.725 0.030 2 86 15 15 LEU HD1 H 0.493 0.030 1 87 15 15 LEU HD2 H -0.101 0.030 1 88 15 15 LEU HG H 1.873 0.030 1 89 15 15 LEU C C 179.069 0.300 1 90 15 15 LEU CA C 57.347 0.300 1 91 15 15 LEU CB C 41.918 0.300 1 92 15 15 LEU CD1 C 25.736 0.300 2 93 15 15 LEU CD2 C 21.665 0.300 2 94 15 15 LEU CG C 25.671 0.300 1 95 15 15 LEU N N 117.203 0.300 1 96 16 16 LYS H H 8.383 0.030 1 97 16 16 LYS HA H 3.932 0.030 1 98 16 16 LYS HB2 H 1.855 0.030 2 99 16 16 LYS HB3 H 1.781 0.030 2 100 16 16 LYS HD2 H 1.569 0.030 2 101 16 16 LYS HD3 H 1.606 0.030 2 102 16 16 LYS HE2 H 2.805 0.030 1 103 16 16 LYS HE3 H 2.805 0.030 1 104 16 16 LYS HG2 H 1.439 0.030 2 105 16 16 LYS HG3 H 1.655 0.030 2 106 16 16 LYS C C 177.990 0.300 1 107 16 16 LYS CA C 59.083 0.300 1 108 16 16 LYS CB C 32.654 0.300 1 109 16 16 LYS CD C 29.616 0.300 1 110 16 16 LYS CE C 41.676 0.300 1 111 16 16 LYS CG C 26.808 0.300 1 112 16 16 LYS N N 114.844 0.300 1 113 17 17 GLY H H 7.582 0.030 1 114 17 17 GLY HA2 H 3.726 0.030 2 115 17 17 GLY HA3 H 4.156 0.030 2 116 17 17 GLY C C 172.520 0.300 1 117 17 17 GLY CA C 45.393 0.300 1 118 17 17 GLY N N 104.665 0.300 1 119 18 18 ASP H H 7.032 0.030 1 120 18 18 ASP HA H 4.986 0.030 1 121 18 18 ASP HB2 H 2.652 0.030 2 122 18 18 ASP HB3 H 3.271 0.030 2 123 18 18 ASP C C 176.358 0.300 1 124 18 18 ASP CA C 52.539 0.300 1 125 18 18 ASP CB C 43.916 0.300 1 126 18 18 ASP N N 119.998 0.300 1 127 19 19 ASN HA H 4.436 0.030 1 128 19 19 ASN HB2 H 2.938 0.030 2 129 19 19 ASN HB3 H 2.885 0.030 2 130 19 19 ASN HD21 H 6.960 0.030 2 131 19 19 ASN HD22 H 7.646 0.030 2 132 19 19 ASN C C 176.705 0.300 1 133 19 19 ASN CA C 55.687 0.300 1 134 19 19 ASN CB C 38.094 0.300 1 135 19 19 ASN ND2 N 112.414 0.300 1 136 20 20 ARG H H 8.565 0.030 1 137 20 20 ARG HA H 4.151 0.030 1 138 20 20 ARG HB2 H 0.975 0.030 2 139 20 20 ARG HB3 H 1.189 0.030 2 140 20 20 ARG HD2 H 2.749 0.030 2 141 20 20 ARG HD3 H 3.222 0.030 2 142 20 20 ARG HE H 7.197 0.030 1 143 20 20 ARG HG2 H 1.404 0.030 2 144 20 20 ARG HG3 H 1.521 0.030 2 145 20 20 ARG C C 176.123 0.300 1 146 20 20 ARG CA C 57.942 0.300 1 147 20 20 ARG CB C 30.687 0.300 1 148 20 20 ARG CD C 44.112 0.300 1 149 20 20 ARG CG C 25.671 0.300 1 150 20 20 ARG N N 118.912 0.300 1 151 20 20 ARG NE N 82.880 0.300 1 152 21 21 PHE H H 7.591 0.030 1 153 21 21 PHE HA H 5.762 0.030 1 154 21 21 PHE HB2 H 3.532 0.030 2 155 21 21 PHE HB3 H 3.459 0.030 2 156 21 21 PHE HD1 H 7.426 0.030 1 157 21 21 PHE HD2 H 7.426 0.030 1 158 21 21 PHE HE1 H 7.155 0.030 1 159 21 21 PHE HE2 H 7.155 0.030 1 160 21 21 PHE HZ H 7.113 0.030 1 161 21 21 PHE C C 176.539 0.300 1 162 21 21 PHE CA C 55.968 0.300 1 163 21 21 PHE CB C 38.573 0.300 1 164 21 21 PHE CD1 C 131.986 0.300 1 165 21 21 PHE CD2 C 131.986 0.300 1 166 21 21 PHE CE1 C 130.850 0.300 1 167 21 21 PHE CE2 C 130.850 0.300 1 168 21 21 PHE CZ C 128.906 0.300 1 169 21 21 PHE N N 113.115 0.300 1 170 22 22 SER H H 7.510 0.030 1 171 22 22 SER HA H 4.020 0.030 1 172 22 22 SER HB2 H 3.979 0.030 1 173 22 22 SER HB3 H 3.979 0.030 1 174 22 22 SER C C 178.545 0.300 1 175 22 22 SER CA C 62.701 0.300 1 176 22 22 SER CB C 61.835 0.300 1 177 22 22 SER N N 116.597 0.300 1 178 23 23 MET H H 9.294 0.030 1 179 23 23 MET HA H 3.962 0.030 1 180 23 23 MET HB2 H 1.854 0.030 2 181 23 23 MET HB3 H 1.185 0.030 2 182 23 23 MET HE H 1.883 0.030 1 183 23 23 MET HG2 H 2.266 0.030 2 184 23 23 MET HG3 H 2.192 0.030 2 185 23 23 MET C C 178.115 0.300 1 186 23 23 MET CA C 59.354 0.300 1 187 23 23 MET CB C 31.562 0.300 1 188 23 23 MET CE C 17.510 0.300 1 189 23 23 MET CG C 33.525 0.300 1 190 23 23 MET N N 124.349 0.300 1 191 24 24 LEU H H 8.626 0.030 1 192 24 24 LEU HA H 3.904 0.030 1 193 24 24 LEU HB2 H 2.047 0.030 2 194 24 24 LEU HB3 H 2.331 0.030 2 195 24 24 LEU HD1 H 0.974 0.030 1 196 24 24 LEU HD2 H 0.974 0.030 1 197 24 24 LEU HG H 1.559 0.030 1 198 24 24 LEU C C 178.121 0.300 1 199 24 24 LEU CA C 58.064 0.300 1 200 24 24 LEU CB C 41.309 0.300 1 201 24 24 LEU CD1 C 23.149 0.300 2 202 24 24 LEU CD2 C 27.917 0.300 2 203 24 24 LEU CG C 26.920 0.300 1 204 24 24 LEU N N 124.011 0.300 1 205 25 25 VAL H H 9.069 0.030 1 206 25 25 VAL HA H 3.284 0.030 1 207 25 25 VAL HB H 2.033 0.030 1 208 25 25 VAL HG1 H 0.814 0.030 1 209 25 25 VAL HG2 H 0.866 0.030 1 210 25 25 VAL C C 178.082 0.300 1 211 25 25 VAL CA C 67.782 0.300 1 212 25 25 VAL CB C 31.748 0.300 1 213 25 25 VAL CG1 C 21.371 0.300 2 214 25 25 VAL CG2 C 24.958 0.300 2 215 25 25 VAL N N 118.916 0.300 1 216 26 26 ALA H H 7.444 0.030 1 217 26 26 ALA HA H 4.136 0.030 1 218 26 26 ALA HB H 1.434 0.030 1 219 26 26 ALA C C 180.218 0.300 1 220 26 26 ALA CA C 54.944 0.300 1 221 26 26 ALA CB C 17.725 0.300 1 222 26 26 ALA N N 122.169 0.300 1 223 27 27 ALA H H 8.251 0.030 1 224 27 27 ALA HA H 4.110 0.030 1 225 27 27 ALA HB H 1.449 0.030 1 226 27 27 ALA C C 178.657 0.300 1 227 27 27 ALA CA C 54.838 0.300 1 228 27 27 ALA CB C 17.899 0.300 1 229 27 27 ALA N N 123.423 0.300 1 230 28 28 ILE H H 8.898 0.030 1 231 28 28 ILE HA H 3.284 0.030 1 232 28 28 ILE HB H 1.921 0.030 1 233 28 28 ILE HD1 H 0.559 0.030 1 234 28 28 ILE HG12 H 0.663 0.030 2 235 28 28 ILE HG13 H 1.828 0.030 2 236 28 28 ILE HG2 H 0.765 0.030 1 237 28 28 ILE C C 177.927 0.300 1 238 28 28 ILE CA C 65.880 0.300 1 239 28 28 ILE CB C 38.347 0.300 1 240 28 28 ILE CD1 C 14.420 0.300 1 241 28 28 ILE CG1 C 31.447 0.300 1 242 28 28 ILE CG2 C 17.535 0.300 1 243 28 28 ILE N N 120.287 0.300 1 244 29 29 GLN H H 7.837 0.030 1 245 29 29 GLN HA H 4.178 0.030 1 246 29 29 GLN HB2 H 2.243 0.030 2 247 29 29 GLN HB3 H 2.115 0.030 2 248 29 29 GLN HE21 H 7.457 0.030 2 249 29 29 GLN HE22 H 6.910 0.030 2 250 29 29 GLN HG2 H 2.390 0.030 1 251 29 29 GLN HG3 H 2.390 0.030 1 252 29 29 GLN C C 180.179 0.300 1 253 29 29 GLN CA C 58.493 0.300 1 254 29 29 GLN CB C 27.422 0.300 1 255 29 29 GLN CG C 33.140 0.300 1 256 29 29 GLN N N 118.986 0.300 1 257 29 29 GLN NE2 N 112.313 0.300 1 258 30 30 SER H H 8.390 0.030 1 259 30 30 SER HA H 4.177 0.030 1 260 30 30 SER HB2 H 4.006 0.030 2 261 30 30 SER HB3 H 3.947 0.030 2 262 30 30 SER C C 175.601 0.300 1 263 30 30 SER CA C 61.665 0.300 1 264 30 30 SER CB C 62.996 0.300 1 265 30 30 SER N N 118.196 0.300 1 266 31 31 ALA H H 8.265 0.030 1 267 31 31 ALA HA H 4.352 0.030 1 268 31 31 ALA HB H 1.368 0.030 1 269 31 31 ALA C C 176.853 0.300 1 270 31 31 ALA CA C 52.128 0.300 1 271 31 31 ALA CB C 19.966 0.300 1 272 31 31 ALA N N 119.295 0.300 1 273 32 32 GLY H H 7.773 0.030 1 274 32 32 GLY HA2 H 4.142 0.030 2 275 32 32 GLY HA3 H 4.092 0.030 2 276 32 32 GLY C C 176.579 0.300 1 277 32 32 GLY CA C 46.430 0.300 1 278 32 32 GLY N N 106.077 0.300 1 279 33 33 LEU H H 8.086 0.030 1 280 33 33 LEU HA H 4.433 0.030 1 281 33 33 LEU HB2 H 1.510 0.030 2 282 33 33 LEU HB3 H 1.566 0.030 2 283 33 33 LEU HD1 H 0.803 0.030 1 284 33 33 LEU HD2 H 0.782 0.030 1 285 33 33 LEU HG H 1.522 0.030 1 286 33 33 LEU C C 175.704 0.300 1 287 33 33 LEU CA C 54.758 0.300 1 288 33 33 LEU CB C 45.101 0.300 1 289 33 33 LEU CD1 C 26.575 0.300 2 290 33 33 LEU CD2 C 22.973 0.300 2 291 33 33 LEU CG C 27.211 0.300 1 292 33 33 LEU N N 118.438 0.300 1 293 34 34 THR H H 7.583 0.030 1 294 34 34 THR HA H 3.528 0.030 1 295 34 34 THR HB H 3.977 0.030 1 296 34 34 THR HG2 H 1.111 0.030 1 297 34 34 THR C C 175.442 0.300 1 298 34 34 THR CA C 66.653 0.300 1 299 34 34 THR CB C 68.582 0.300 1 300 34 34 THR CG2 C 22.489 0.300 1 301 34 34 THR N N 118.298 0.300 1 302 35 35 GLU H H 8.303 0.030 1 303 35 35 GLU HA H 3.952 0.030 1 304 35 35 GLU HB2 H 2.015 0.030 2 305 35 35 GLU HB3 H 1.938 0.030 2 306 35 35 GLU HG2 H 2.274 0.030 1 307 35 35 GLU HG3 H 2.274 0.030 1 308 35 35 GLU C C 179.368 0.300 1 309 35 35 GLU CA C 59.821 0.300 1 310 35 35 GLU CB C 28.532 0.300 1 311 35 35 GLU CG C 36.738 0.300 1 312 35 35 GLU N N 117.542 0.300 1 313 36 36 THR H H 7.702 0.030 1 314 36 36 THR HA H 3.730 0.030 1 315 36 36 THR HB H 4.063 0.030 1 316 36 36 THR HG2 H 0.963 0.030 1 317 36 36 THR C C 175.848 0.300 1 318 36 36 THR CA C 67.219 0.300 1 319 36 36 THR CB C 69.154 0.300 1 320 36 36 THR CG2 C 20.253 0.300 1 321 36 36 THR N N 116.145 0.300 1 322 37 37 LEU H H 7.077 0.030 1 323 37 37 LEU HA H 3.906 0.030 1 324 37 37 LEU HB2 H 1.583 0.030 2 325 37 37 LEU HB3 H 1.165 0.030 2 326 37 37 LEU HD1 H 0.609 0.030 1 327 37 37 LEU HD2 H 0.139 0.030 1 328 37 37 LEU HG H 1.346 0.030 1 329 37 37 LEU C C 176.118 0.300 1 330 37 37 LEU CA C 55.524 0.300 1 331 37 37 LEU CB C 41.474 0.300 1 332 37 37 LEU CD1 C 25.116 0.300 2 333 37 37 LEU CD2 C 21.172 0.300 2 334 37 37 LEU CG C 27.025 0.300 1 335 37 37 LEU N N 116.613 0.300 1 336 38 38 ASN H H 7.726 0.030 1 337 38 38 ASN HA H 4.963 0.030 1 338 38 38 ASN HB2 H 2.803 0.030 2 339 38 38 ASN HB3 H 2.518 0.030 2 340 38 38 ASN HD21 H 6.851 0.030 2 341 38 38 ASN HD22 H 7.571 0.030 2 342 38 38 ASN C C 174.741 0.300 1 343 38 38 ASN CA C 52.043 0.300 1 344 38 38 ASN CB C 40.938 0.300 1 345 38 38 ASN N N 118.882 0.300 1 346 38 38 ASN ND2 N 113.296 0.300 1 347 39 39 ARG H H 7.251 0.030 1 348 39 39 ARG HA H 4.514 0.030 1 349 39 39 ARG HB2 H 1.980 0.030 1 350 39 39 ARG HB3 H 1.980 0.030 1 351 39 39 ARG HD2 H 3.234 0.030 1 352 39 39 ARG HD3 H 3.234 0.030 1 353 39 39 ARG HG2 H 1.882 0.030 1 354 39 39 ARG HG3 H 1.882 0.030 1 355 39 39 ARG C C 175.272 0.300 1 356 39 39 ARG CA C 55.475 0.300 1 357 39 39 ARG CB C 32.852 0.300 1 358 39 39 ARG CD C 43.837 0.300 1 359 39 39 ARG CG C 27.316 0.300 1 360 39 39 ARG N N 119.828 0.300 1 361 40 40 GLU H H 8.517 0.030 1 362 40 40 GLU HA H 4.219 0.030 1 363 40 40 GLU HB2 H 2.019 0.030 1 364 40 40 GLU HB3 H 2.019 0.030 1 365 40 40 GLU HG2 H 2.326 0.030 1 366 40 40 GLU HG3 H 2.326 0.030 1 367 40 40 GLU C C 176.278 0.300 1 368 40 40 GLU CA C 57.632 0.300 1 369 40 40 GLU CB C 29.686 0.300 1 370 40 40 GLU CG C 36.108 0.300 1 371 40 40 GLU N N 120.093 0.300 1 372 41 41 GLY H H 7.971 0.030 1 373 41 41 GLY HA2 H 3.881 0.030 2 374 41 41 GLY HA3 H 3.829 0.030 2 375 41 41 GLY C C 170.500 0.300 1 376 41 41 GLY CA C 44.795 0.300 1 377 41 41 GLY N N 111.083 0.300 1 378 42 42 VAL H H 7.191 0.030 1 379 42 42 VAL HA H 4.080 0.030 1 380 42 42 VAL HB H 1.850 0.030 1 381 42 42 VAL HG1 H 0.711 0.030 1 382 42 42 VAL HG2 H 0.754 0.030 1 383 42 42 VAL C C 172.951 0.300 1 384 42 42 VAL CA C 59.309 0.300 1 385 42 42 VAL CB C 33.574 0.300 1 386 42 42 VAL CG1 C 23.131 0.300 2 387 42 42 VAL CG2 C 18.938 0.300 2 388 42 42 VAL N N 114.885 0.300 1 389 43 43 TYR H H 7.473 0.030 1 390 43 43 TYR HA H 5.176 0.030 1 391 43 43 TYR HB2 H 2.888 0.030 2 392 43 43 TYR HB3 H 2.405 0.030 2 393 43 43 TYR HD1 H 7.099 0.030 1 394 43 43 TYR HD2 H 7.099 0.030 1 395 43 43 TYR HE1 H 6.717 0.030 1 396 43 43 TYR HE2 H 6.717 0.030 1 397 43 43 TYR C C 176.289 0.300 1 398 43 43 TYR CA C 56.741 0.300 1 399 43 43 TYR CB C 42.427 0.300 1 400 43 43 TYR CD1 C 133.536 0.300 1 401 43 43 TYR CD2 C 133.536 0.300 1 402 43 43 TYR CE1 C 117.441 0.300 1 403 43 43 TYR CE2 C 117.441 0.300 1 404 43 43 TYR N N 117.337 0.300 1 405 44 44 THR H H 7.845 0.030 1 406 44 44 THR HA H 4.756 0.030 1 407 44 44 THR HB H 3.749 0.030 1 408 44 44 THR HG2 H 0.798 0.030 1 409 44 44 THR C C 173.400 0.300 1 410 44 44 THR CA C 62.125 0.300 1 411 44 44 THR CB C 70.953 0.300 1 412 44 44 THR CG2 C 23.229 0.300 1 413 44 44 THR N N 116.944 0.300 1 414 45 45 VAL H H 9.166 0.030 1 415 45 45 VAL HA H 4.592 0.030 1 416 45 45 VAL HB H 1.980 0.030 1 417 45 45 VAL HG1 H 0.669 0.030 1 418 45 45 VAL HG2 H 0.812 0.030 1 419 45 45 VAL C C 174.021 0.300 1 420 45 45 VAL CA C 61.099 0.300 1 421 45 45 VAL CB C 33.884 0.300 1 422 45 45 VAL CG1 C 19.540 0.300 2 423 45 45 VAL CG2 C 22.015 0.300 2 424 45 45 VAL N N 126.819 0.300 1 425 46 46 PHE H H 9.063 0.030 1 426 46 46 PHE HA H 5.317 0.030 1 427 46 46 PHE HB2 H 2.916 0.030 2 428 46 46 PHE HB3 H 3.240 0.030 2 429 46 46 PHE HD1 H 7.119 0.030 1 430 46 46 PHE HD2 H 7.119 0.030 1 431 46 46 PHE HE1 H 6.755 0.030 1 432 46 46 PHE HE2 H 6.755 0.030 1 433 46 46 PHE HZ H 6.755 0.030 1 434 46 46 PHE C C 173.413 0.300 1 435 46 46 PHE CA C 57.668 0.300 1 436 46 46 PHE CB C 38.507 0.300 1 437 46 46 PHE CD1 C 132.706 0.300 1 438 46 46 PHE CD2 C 132.706 0.300 1 439 46 46 PHE CE1 C 130.686 0.300 1 440 46 46 PHE CE2 C 130.686 0.300 1 441 46 46 PHE CZ C 128.059 0.300 1 442 46 46 PHE N N 128.511 0.300 1 443 47 47 ALA H H 8.643 0.030 1 444 47 47 ALA HA H 4.562 0.030 1 445 47 47 ALA HB H 0.793 0.030 1 446 47 47 ALA C C 174.317 0.300 1 447 47 47 ALA CA C 49.001 0.300 1 448 47 47 ALA CB C 22.873 0.300 1 449 47 47 ALA N N 125.995 0.300 1 450 48 48 PRO HA H 4.986 0.030 1 451 48 48 PRO HB2 H 1.584 0.030 2 452 48 48 PRO HB3 H 1.722 0.030 2 453 48 48 PRO HD2 H 3.587 0.030 1 454 48 48 PRO HD3 H 3.587 0.030 1 455 48 48 PRO HG2 H 1.657 0.030 2 456 48 48 PRO HG3 H 1.848 0.030 2 457 48 48 PRO C C 177.751 0.300 1 458 48 48 PRO CA C 61.028 0.300 1 459 48 48 PRO CB C 31.857 0.300 1 460 48 48 PRO CD C 51.583 0.300 1 461 48 48 PRO CG C 28.367 0.300 1 462 49 49 THR H H 7.754 0.030 1 463 49 49 THR HA H 4.447 0.030 1 464 49 49 THR HB H 4.743 0.030 1 465 49 49 THR HG2 H 1.235 0.030 1 466 49 49 THR C C 176.373 0.300 1 467 49 49 THR CA C 60.745 0.300 1 468 49 49 THR CB C 71.314 0.300 1 469 49 49 THR CG2 C 22.855 0.300 1 470 49 49 THR N N 112.088 0.300 1 471 50 50 ASN H H 8.879 0.030 1 472 50 50 ASN HA H 4.678 0.030 1 473 50 50 ASN HB2 H 2.781 0.030 2 474 50 50 ASN HB3 H 2.944 0.030 2 475 50 50 ASN HD21 H 7.371 0.030 2 476 50 50 ASN HD22 H 7.514 0.030 2 477 50 50 ASN C C 178.307 0.300 1 478 50 50 ASN CA C 56.324 0.300 1 479 50 50 ASN CB C 37.158 0.300 1 480 50 50 ASN N N 119.141 0.300 1 481 50 50 ASN ND2 N 111.340 0.300 1 482 51 51 GLU H H 8.266 0.030 1 483 51 51 GLU HA H 3.904 0.030 1 484 51 51 GLU HB2 H 1.977 0.030 1 485 51 51 GLU HB3 H 1.977 0.030 1 486 51 51 GLU HG2 H 2.349 0.030 2 487 51 51 GLU HG3 H 2.413 0.030 2 488 51 51 GLU C C 178.180 0.300 1 489 51 51 GLU CA C 59.856 0.300 1 490 51 51 GLU CB C 29.288 0.300 1 491 51 51 GLU CG C 36.914 0.300 1 492 51 51 GLU N N 118.606 0.300 1 493 52 52 ALA H H 7.462 0.030 1 494 52 52 ALA HA H 4.027 0.030 1 495 52 52 ALA HB H 1.185 0.030 1 496 52 52 ALA C C 180.348 0.300 1 497 52 52 ALA CA C 55.090 0.300 1 498 52 52 ALA CB C 19.567 0.300 1 499 52 52 ALA N N 122.029 0.300 1 500 53 53 PHE H H 7.319 0.030 1 501 53 53 PHE HA H 4.022 0.030 1 502 53 53 PHE HB2 H 2.888 0.030 2 503 53 53 PHE HB3 H 3.364 0.030 2 504 53 53 PHE HD1 H 7.238 0.030 1 505 53 53 PHE HD2 H 7.238 0.030 1 506 53 53 PHE HE1 H 7.081 0.030 1 507 53 53 PHE HE2 H 7.081 0.030 1 508 53 53 PHE HZ H 6.769 0.030 1 509 53 53 PHE C C 179.116 0.300 1 510 53 53 PHE CA C 62.110 0.300 1 511 53 53 PHE CB C 39.772 0.300 1 512 53 53 PHE CD1 C 131.993 0.300 1 513 53 53 PHE CD2 C 131.993 0.300 1 514 53 53 PHE CE1 C 130.775 0.300 1 515 53 53 PHE CE2 C 130.775 0.300 1 516 53 53 PHE CZ C 127.488 0.300 1 517 53 53 PHE N N 115.149 0.300 1 518 54 54 ARG H H 8.267 0.030 1 519 54 54 ARG HA H 3.968 0.030 1 520 54 54 ARG HB2 H 1.801 0.030 2 521 54 54 ARG HB3 H 1.953 0.030 2 522 54 54 ARG HD2 H 3.187 0.030 2 523 54 54 ARG HD3 H 3.118 0.030 2 524 54 54 ARG HG2 H 1.600 0.030 2 525 54 54 ARG HG3 H 1.809 0.030 2 526 54 54 ARG C C 176.326 0.300 1 527 54 54 ARG CA C 58.985 0.300 1 528 54 54 ARG CB C 30.181 0.300 1 529 54 54 ARG CD C 43.589 0.300 1 530 54 54 ARG CG C 28.742 0.300 1 531 54 54 ARG N N 118.478 0.300 1 532 55 55 ALA H H 7.401 0.030 1 533 55 55 ALA HA H 4.258 0.030 1 534 55 55 ALA HB H 1.541 0.030 1 535 55 55 ALA C C 178.691 0.300 1 536 55 55 ALA CA C 52.631 0.300 1 537 55 55 ALA CB C 18.923 0.300 1 538 55 55 ALA N N 118.875 0.300 1 539 56 56 LEU H H 7.103 0.030 1 540 56 56 LEU HA H 4.515 0.030 1 541 56 56 LEU HB2 H 1.243 0.030 2 542 56 56 LEU HB3 H 1.898 0.030 2 543 56 56 LEU HD1 H 0.942 0.030 1 544 56 56 LEU HD2 H 0.896 0.030 1 545 56 56 LEU HG H 1.982 0.030 1 546 56 56 LEU C C 174.390 0.300 1 547 56 56 LEU CA C 53.317 0.300 1 548 56 56 LEU CB C 42.309 0.300 1 549 56 56 LEU CD1 C 26.211 0.300 2 550 56 56 LEU CD2 C 23.271 0.300 2 551 56 56 LEU CG C 26.512 0.300 1 552 56 56 LEU N N 119.703 0.300 1 553 57 57 PRO HA H 4.759 0.030 1 554 57 57 PRO HB2 H 2.557 0.030 2 555 57 57 PRO HB3 H 1.962 0.030 2 556 57 57 PRO HD2 H 4.085 0.030 2 557 57 57 PRO HD3 H 3.530 0.030 2 558 57 57 PRO HG2 H 2.169 0.030 1 559 57 57 PRO HG3 H 2.169 0.030 1 560 57 57 PRO CA C 61.500 0.300 1 561 57 57 PRO CB C 31.261 0.300 1 562 57 57 PRO CD C 50.497 0.300 1 563 57 57 PRO CG C 28.181 0.300 1 564 58 58 PRO HA H 4.099 0.030 1 565 58 58 PRO HB2 H 2.391 0.030 2 566 58 58 PRO HB3 H 2.032 0.030 2 567 58 58 PRO HD2 H 3.890 0.030 2 568 58 58 PRO HD3 H 3.927 0.030 2 569 58 58 PRO HG2 H 2.105 0.030 2 570 58 58 PRO HG3 H 2.229 0.030 2 571 58 58 PRO CA C 66.395 0.300 1 572 58 58 PRO CB C 32.128 0.300 1 573 58 58 PRO CD C 50.431 0.300 1 574 58 58 PRO CG C 27.634 0.300 1 575 59 59 ARG HA H 4.138 0.030 1 576 59 59 ARG HB2 H 1.813 0.030 2 577 59 59 ARG HB3 H 1.913 0.030 2 578 59 59 ARG HD2 H 3.218 0.030 1 579 59 59 ARG HD3 H 3.218 0.030 1 580 59 59 ARG HG2 H 1.732 0.030 2 581 59 59 ARG HG3 H 1.609 0.030 2 582 59 59 ARG C C 178.963 0.300 1 583 59 59 ARG CA C 59.366 0.300 1 584 59 59 ARG CB C 29.670 0.300 1 585 59 59 ARG CD C 43.329 0.300 1 586 59 59 ARG CG C 27.485 0.300 1 587 60 60 GLU H H 7.505 0.030 1 588 60 60 GLU HA H 4.347 0.030 1 589 60 60 GLU HB2 H 2.073 0.030 1 590 60 60 GLU HB3 H 2.073 0.030 1 591 60 60 GLU HG2 H 2.346 0.030 1 592 60 60 GLU HG3 H 2.346 0.030 1 593 60 60 GLU C C 178.354 0.300 1 594 60 60 GLU CA C 58.305 0.300 1 595 60 60 GLU CB C 29.908 0.300 1 596 60 60 GLU CG C 36.036 0.300 1 597 60 60 GLU N N 119.806 0.300 1 598 61 61 ARG H H 8.487 0.030 1 599 61 61 ARG HA H 3.826 0.030 1 600 61 61 ARG HB2 H 1.901 0.030 2 601 61 61 ARG HB3 H 1.872 0.030 2 602 61 61 ARG HD2 H 3.294 0.030 1 603 61 61 ARG HD3 H 3.294 0.030 1 604 61 61 ARG HG2 H 1.660 0.030 1 605 61 61 ARG HG3 H 1.660 0.030 1 606 61 61 ARG C C 177.885 0.300 1 607 61 61 ARG CA C 60.224 0.300 1 608 61 61 ARG CB C 30.346 0.300 1 609 61 61 ARG CD C 43.588 0.300 1 610 61 61 ARG CG C 27.858 0.300 1 611 61 61 ARG N N 120.248 0.300 1 612 62 62 SER H H 8.185 0.030 1 613 62 62 SER HA H 4.125 0.030 1 614 62 62 SER HB2 H 3.909 0.030 1 615 62 62 SER HB3 H 3.909 0.030 1 616 62 62 SER C C 177.088 0.300 1 617 62 62 SER CA C 61.564 0.300 1 618 62 62 SER CB C 62.686 0.300 1 619 62 62 SER N N 111.811 0.300 1 620 63 63 ARG H H 7.581 0.030 1 621 63 63 ARG HA H 4.048 0.030 1 622 63 63 ARG HB2 H 1.950 0.030 1 623 63 63 ARG HB3 H 1.950 0.030 1 624 63 63 ARG HD2 H 3.105 0.030 2 625 63 63 ARG HD3 H 3.321 0.030 2 626 63 63 ARG HG2 H 1.524 0.030 2 627 63 63 ARG HG3 H 1.726 0.030 2 628 63 63 ARG C C 178.097 0.300 1 629 63 63 ARG CA C 59.012 0.300 1 630 63 63 ARG CB C 30.511 0.300 1 631 63 63 ARG CD C 43.195 0.300 1 632 63 63 ARG CG C 27.446 0.300 1 633 63 63 ARG N N 122.486 0.300 1 634 64 64 LEU H H 8.029 0.030 1 635 64 64 LEU HA H 4.095 0.030 1 636 64 64 LEU HB2 H 1.807 0.030 2 637 64 64 LEU HB3 H 1.609 0.030 2 638 64 64 LEU HD1 H 0.919 0.030 1 639 64 64 LEU HD2 H 0.878 0.030 1 640 64 64 LEU HG H 1.748 0.030 1 641 64 64 LEU C C 177.144 0.300 1 642 64 64 LEU CA C 57.661 0.300 1 643 64 64 LEU CB C 42.488 0.300 1 644 64 64 LEU CD1 C 24.534 0.300 2 645 64 64 LEU CD2 C 24.088 0.300 2 646 64 64 LEU CG C 27.136 0.300 1 647 64 64 LEU N N 117.725 0.300 1 648 65 65 LEU H H 7.825 0.030 1 649 65 65 LEU HA H 4.202 0.030 1 650 65 65 LEU HB2 H 1.471 0.030 2 651 65 65 LEU HB3 H 1.779 0.030 2 652 65 65 LEU HD1 H 0.811 0.030 1 653 65 65 LEU HD2 H 0.758 0.030 1 654 65 65 LEU HG H 1.816 0.030 1 655 65 65 LEU C C 178.995 0.300 1 656 65 65 LEU CA C 56.161 0.300 1 657 65 65 LEU CB C 41.091 0.300 1 658 65 65 LEU CD1 C 25.375 0.300 2 659 65 65 LEU CD2 C 22.225 0.300 2 660 65 65 LEU CG C 27.385 0.300 1 661 65 65 LEU N N 111.881 0.300 1 662 66 66 GLY H H 7.551 0.030 1 663 66 66 GLY HA2 H 3.748 0.030 2 664 66 66 GLY HA3 H 4.183 0.030 2 665 66 66 GLY C C 173.211 0.300 1 666 66 66 GLY CA C 45.429 0.300 1 667 66 66 GLY N N 104.530 0.300 1 668 67 67 ASP H H 7.225 0.030 1 669 67 67 ASP HA H 4.885 0.030 1 670 67 67 ASP HB2 H 3.058 0.030 2 671 67 67 ASP HB3 H 2.559 0.030 2 672 67 67 ASP C C 174.736 0.300 1 673 67 67 ASP CA C 52.539 0.300 1 674 67 67 ASP CB C 42.134 0.300 1 675 67 67 ASP N N 120.724 0.300 1 676 68 68 ALA H H 8.693 0.030 1 677 68 68 ALA HA H 4.013 0.030 1 678 68 68 ALA HB H 1.467 0.030 1 679 68 68 ALA C C 180.079 0.300 1 680 68 68 ALA CA C 55.642 0.300 1 681 68 68 ALA CB C 18.746 0.300 1 682 68 68 ALA N N 126.952 0.300 1 683 69 69 LYS H H 8.129 0.030 1 684 69 69 LYS HA H 4.142 0.030 1 685 69 69 LYS HB2 H 1.957 0.030 2 686 69 69 LYS HB3 H 2.008 0.030 2 687 69 69 LYS HD2 H 1.741 0.030 1 688 69 69 LYS HD3 H 1.741 0.030 1 689 69 69 LYS HE2 H 3.033 0.030 1 690 69 69 LYS HE3 H 3.033 0.030 1 691 69 69 LYS HG2 H 1.574 0.030 2 692 69 69 LYS HG3 H 1.427 0.030 2 693 69 69 LYS C C 179.539 0.300 1 694 69 69 LYS CA C 59.366 0.300 1 695 69 69 LYS CB C 31.994 0.300 1 696 69 69 LYS CD C 29.136 0.300 1 697 69 69 LYS CE C 42.028 0.300 1 698 69 69 LYS CG C 25.070 0.300 1 699 69 69 LYS N N 118.243 0.300 1 700 70 70 GLU H H 7.818 0.030 1 701 70 70 GLU HA H 4.262 0.030 1 702 70 70 GLU HB2 H 2.077 0.030 1 703 70 70 GLU HB3 H 2.077 0.030 1 704 70 70 GLU HG2 H 2.364 0.030 2 705 70 70 GLU HG3 H 2.300 0.030 2 706 70 70 GLU C C 179.327 0.300 1 707 70 70 GLU CA C 58.251 0.300 1 708 70 70 GLU CB C 29.269 0.300 1 709 70 70 GLU CG C 35.616 0.300 1 710 70 70 GLU N N 121.719 0.300 1 711 71 71 LEU H H 8.789 0.030 1 712 71 71 LEU HA H 4.098 0.030 1 713 71 71 LEU HB2 H 2.136 0.030 2 714 71 71 LEU HB3 H 1.782 0.030 2 715 71 71 LEU HD1 H 0.995 0.030 1 716 71 71 LEU HD2 H 0.927 0.030 1 717 71 71 LEU HG H 1.533 0.030 1 718 71 71 LEU C C 178.606 0.300 1 719 71 71 LEU CA C 57.915 0.300 1 720 71 71 LEU CB C 41.392 0.300 1 721 71 71 LEU CD1 C 26.166 0.300 2 722 71 71 LEU CD2 C 22.267 0.300 2 723 71 71 LEU CG C 26.793 0.300 1 724 71 71 LEU N N 120.879 0.300 1 725 72 72 ALA H H 8.043 0.030 1 726 72 72 ALA HA H 3.904 0.030 1 727 72 72 ALA HB H 1.633 0.030 1 728 72 72 ALA C C 178.779 0.300 1 729 72 72 ALA CA C 55.961 0.300 1 730 72 72 ALA CB C 18.099 0.300 1 731 72 72 ALA N N 118.956 0.300 1 732 73 73 ASN H H 7.435 0.030 1 733 73 73 ASN HA H 4.427 0.030 1 734 73 73 ASN HB2 H 2.918 0.030 2 735 73 73 ASN HB3 H 3.015 0.030 2 736 73 73 ASN HD21 H 7.066 0.030 2 737 73 73 ASN HD22 H 7.823 0.030 2 738 73 73 ASN C C 176.407 0.300 1 739 73 73 ASN CA C 57.158 0.300 1 740 73 73 ASN CB C 39.142 0.300 1 741 73 73 ASN N N 115.352 0.300 1 742 73 73 ASN ND2 N 114.603 0.300 1 743 74 74 ILE H H 8.015 0.030 1 744 74 74 ILE HA H 3.938 0.030 1 745 74 74 ILE HB H 2.146 0.030 1 746 74 74 ILE HD1 H 0.950 0.030 1 747 74 74 ILE HG12 H 1.551 0.030 2 748 74 74 ILE HG13 H 1.733 0.030 2 749 74 74 ILE HG2 H 1.136 0.030 1 750 74 74 ILE C C 179.770 0.300 1 751 74 74 ILE CA C 63.752 0.300 1 752 74 74 ILE CB C 37.435 0.300 1 753 74 74 ILE CD1 C 12.772 0.300 1 754 74 74 ILE CG1 C 29.481 0.300 1 755 74 74 ILE CG2 C 17.801 0.300 1 756 74 74 ILE N N 116.614 0.300 1 757 75 75 LEU H H 9.019 0.030 1 758 75 75 LEU HA H 4.082 0.030 1 759 75 75 LEU HB2 H 1.093 0.030 2 760 75 75 LEU HB3 H 1.839 0.030 2 761 75 75 LEU HD1 H 0.665 0.030 1 762 75 75 LEU HD2 H 0.596 0.030 1 763 75 75 LEU HG H 1.884 0.030 1 764 75 75 LEU C C 179.739 0.300 1 765 75 75 LEU CA C 58.517 0.300 1 766 75 75 LEU CB C 41.804 0.300 1 767 75 75 LEU CD1 C 26.973 0.300 2 768 75 75 LEU CD2 C 21.187 0.300 2 769 75 75 LEU CG C 26.512 0.300 1 770 75 75 LEU N N 121.353 0.300 1 771 76 76 LYS H H 8.545 0.030 1 772 76 76 LYS HA H 3.926 0.030 1 773 76 76 LYS HB2 H 2.010 0.030 2 774 76 76 LYS HB3 H 1.692 0.030 2 775 76 76 LYS HD2 H 1.638 0.030 2 776 76 76 LYS HD3 H 1.674 0.030 2 777 76 76 LYS HE2 H 2.836 0.030 1 778 76 76 LYS HE3 H 2.836 0.030 1 779 76 76 LYS HG2 H 2.003 0.030 2 780 76 76 LYS HG3 H 1.182 0.030 2 781 76 76 LYS C C 177.650 0.300 1 782 76 76 LYS CA C 60.752 0.300 1 783 76 76 LYS CB C 32.407 0.300 1 784 76 76 LYS CD C 29.769 0.300 1 785 76 76 LYS CE C 42.190 0.300 1 786 76 76 LYS CG C 28.450 0.300 1 787 76 76 LYS N N 116.165 0.300 1 788 77 77 TYR H H 7.601 0.030 1 789 77 77 TYR HA H 4.621 0.030 1 790 77 77 TYR HB2 H 2.915 0.030 2 791 77 77 TYR HB3 H 3.243 0.030 2 792 77 77 TYR HD1 H 6.757 0.030 1 793 77 77 TYR HD2 H 6.757 0.030 1 794 77 77 TYR HE1 H 6.202 0.030 1 795 77 77 TYR HE2 H 6.202 0.030 1 796 77 77 TYR C C 171.870 0.300 1 797 77 77 TYR CA C 58.764 0.300 1 798 77 77 TYR CB C 38.581 0.300 1 799 77 77 TYR CD1 C 132.834 0.300 1 800 77 77 TYR CD2 C 132.834 0.300 1 801 77 77 TYR CE1 C 117.411 0.300 1 802 77 77 TYR CE2 C 117.411 0.300 1 803 77 77 TYR N N 119.757 0.300 1 804 78 78 HIS H H 7.525 0.030 1 805 78 78 HIS HA H 4.133 0.030 1 806 78 78 HIS HB2 H 4.624 0.030 2 807 78 78 HIS HB3 H 3.209 0.030 2 808 78 78 HIS HD2 H 7.185 0.030 1 809 78 78 HIS HE1 H 7.882 0.030 1 810 78 78 HIS C C 173.676 0.300 1 811 78 78 HIS CA C 58.763 0.300 1 812 78 78 HIS CB C 27.930 0.300 1 813 78 78 HIS CD2 C 128.867 0.300 1 814 78 78 HIS CE1 C 139.853 0.300 1 815 78 78 HIS N N 109.175 0.300 1 816 79 79 ILE H H 7.238 0.030 1 817 79 79 ILE HA H 5.171 0.030 1 818 79 79 ILE HB H 1.797 0.030 1 819 79 79 ILE HD1 H 0.684 0.030 1 820 79 79 ILE HG12 H 2.034 0.030 1 821 79 79 ILE HG13 H 2.034 0.030 1 822 79 79 ILE HG2 H 0.873 0.030 1 823 79 79 ILE C C 175.658 0.300 1 824 79 79 ILE CA C 59.511 0.300 1 825 79 79 ILE CB C 40.567 0.300 1 826 79 79 ILE CD1 C 14.745 0.300 1 827 79 79 ILE CG1 C 26.503 0.300 1 828 79 79 ILE CG2 C 18.804 0.300 1 829 79 79 ILE N N 117.483 0.300 1 830 80 80 GLY H H 10.214 0.030 1 831 80 80 GLY HA2 H 3.395 0.030 2 832 80 80 GLY HA3 H 5.034 0.030 2 833 80 80 GLY C C 173.920 0.300 1 834 80 80 GLY CA C 43.926 0.300 1 835 80 80 GLY N N 111.899 0.300 1 836 81 81 ASP H H 8.333 0.030 1 837 81 81 ASP HA H 4.728 0.030 1 838 81 81 ASP HB2 H 3.013 0.030 2 839 81 81 ASP HB3 H 2.351 0.030 2 840 81 81 ASP C C 174.734 0.300 1 841 81 81 ASP CA C 53.706 0.300 1 842 81 81 ASP CB C 40.805 0.300 1 843 81 81 ASP N N 120.492 0.300 1 844 82 82 GLU H H 7.260 0.030 1 845 82 82 GLU HA H 4.476 0.030 1 846 82 82 GLU HB2 H 1.802 0.030 2 847 82 82 GLU HB3 H 1.960 0.030 2 848 82 82 GLU HG2 H 1.944 0.030 2 849 82 82 GLU HG3 H 2.181 0.030 2 850 82 82 GLU C C 175.248 0.300 1 851 82 82 GLU CA C 54.497 0.300 1 852 82 82 GLU CB C 33.241 0.300 1 853 82 82 GLU CG C 35.899 0.300 1 854 82 82 GLU N N 114.245 0.300 1 855 83 83 ILE H H 8.489 0.030 1 856 83 83 ILE HA H 3.552 0.030 1 857 83 83 ILE HB H 1.607 0.030 1 858 83 83 ILE HD1 H 0.755 0.030 1 859 83 83 ILE HG12 H 1.393 0.030 2 860 83 83 ILE HG13 H 0.853 0.030 2 861 83 83 ILE HG2 H 0.699 0.030 1 862 83 83 ILE C C 174.863 0.300 1 863 83 83 ILE CA C 62.337 0.300 1 864 83 83 ILE CB C 38.427 0.300 1 865 83 83 ILE CD1 C 13.601 0.300 1 866 83 83 ILE CG1 C 28.703 0.300 1 867 83 83 ILE CG2 C 16.919 0.300 1 868 83 83 ILE N N 120.896 0.300 1 869 84 84 LEU H H 8.005 0.030 1 870 84 84 LEU HA H 4.757 0.030 1 871 84 84 LEU HB2 H 1.239 0.030 2 872 84 84 LEU HB3 H 1.807 0.030 2 873 84 84 LEU HD1 H 0.840 0.030 1 874 84 84 LEU HD2 H 0.889 0.030 1 875 84 84 LEU HG H 1.341 0.030 1 876 84 84 LEU C C 174.094 0.300 1 877 84 84 LEU CA C 53.883 0.300 1 878 84 84 LEU CB C 44.029 0.300 1 879 84 84 LEU CD1 C 26.503 0.300 2 880 84 84 LEU CD2 C 24.268 0.300 2 881 84 84 LEU CG C 27.060 0.300 1 882 84 84 LEU N N 132.849 0.300 1 883 85 85 VAL H H 7.957 0.030 1 884 85 85 VAL HA H 4.751 0.030 1 885 85 85 VAL HB H 2.349 0.030 1 886 85 85 VAL HG1 H 0.848 0.030 1 887 85 85 VAL HG2 H 0.789 0.030 1 888 85 85 VAL C C 178.365 0.300 1 889 85 85 VAL CA C 59.401 0.300 1 890 85 85 VAL CB C 33.396 0.300 1 891 85 85 VAL CG1 C 22.304 0.300 2 892 85 85 VAL CG2 C 18.393 0.300 2 893 85 85 VAL N N 118.374 0.300 1 894 86 86 SER H H 11.056 0.030 1 895 86 86 SER HA H 3.815 0.030 1 896 86 86 SER HB2 H 3.838 0.030 2 897 86 86 SER HB3 H 3.657 0.030 2 898 86 86 SER C C 177.119 0.300 1 899 86 86 SER CA C 62.663 0.300 1 900 86 86 SER CB C 62.004 0.300 1 901 86 86 SER N N 121.702 0.300 1 902 87 87 GLY H H 8.279 0.030 1 903 87 87 GLY HA2 H 3.765 0.030 2 904 87 87 GLY HA3 H 4.010 0.030 2 905 87 87 GLY C C 174.706 0.300 1 906 87 87 GLY CA C 46.030 0.300 1 907 87 87 GLY N N 107.439 0.300 1 908 88 88 GLY H H 8.239 0.030 1 909 88 88 GLY HA2 H 4.404 0.030 2 910 88 88 GLY HA3 H 3.682 0.030 2 911 88 88 GLY C C 174.360 0.300 1 912 88 88 GLY CA C 44.438 0.300 1 913 88 88 GLY N N 107.836 0.300 1 914 89 89 ILE H H 7.295 0.030 1 915 89 89 ILE HA H 3.795 0.030 1 916 89 89 ILE HB H 1.715 0.030 1 917 89 89 ILE HD1 H 0.650 0.030 1 918 89 89 ILE HG12 H 0.636 0.030 2 919 89 89 ILE HG13 H 1.852 0.030 2 920 89 89 ILE HG2 H 0.768 0.030 1 921 89 89 ILE C C 175.614 0.300 1 922 89 89 ILE CA C 62.938 0.300 1 923 89 89 ILE CB C 39.130 0.300 1 924 89 89 ILE CD1 C 15.832 0.300 1 925 89 89 ILE CG1 C 28.022 0.300 1 926 89 89 ILE CG2 C 18.107 0.300 1 927 89 89 ILE N N 121.041 0.300 1 928 90 90 GLY H H 7.953 0.030 1 929 90 90 GLY HA2 H 3.979 0.030 2 930 90 90 GLY HA3 H 3.776 0.030 2 931 90 90 GLY C C 173.067 0.300 1 932 90 90 GLY CA C 45.570 0.300 1 933 90 90 GLY N N 112.102 0.300 1 934 91 91 ALA H H 8.305 0.030 1 935 91 91 ALA HA H 4.285 0.030 1 936 91 91 ALA HB H 1.424 0.030 1 937 91 91 ALA C C 177.363 0.300 1 938 91 91 ALA CA C 54.124 0.300 1 939 91 91 ALA CB C 19.630 0.300 1 940 91 91 ALA N N 125.146 0.300 1 941 92 92 LEU H H 7.812 0.030 1 942 92 92 LEU HA H 4.691 0.030 1 943 92 92 LEU HB2 H 1.568 0.030 1 944 92 92 LEU HB3 H 1.568 0.030 1 945 92 92 LEU HD1 H 0.772 0.030 1 946 92 92 LEU HD2 H 0.754 0.030 1 947 92 92 LEU HG H 1.323 0.030 1 948 92 92 LEU C C 175.501 0.300 1 949 92 92 LEU CA C 56.147 0.300 1 950 92 92 LEU CB C 43.617 0.300 1 951 92 92 LEU CD1 C 24.268 0.300 2 952 92 92 LEU CD2 C 25.214 0.300 2 953 92 92 LEU CG C 27.601 0.300 1 954 92 92 LEU N N 118.547 0.300 1 955 93 93 VAL H H 9.512 0.030 1 956 93 93 VAL HA H 4.284 0.030 1 957 93 93 VAL HB H 1.929 0.030 1 958 93 93 VAL HG1 H 0.920 0.030 1 959 93 93 VAL HG2 H 1.062 0.030 1 960 93 93 VAL C C 174.113 0.300 1 961 93 93 VAL CA C 61.296 0.300 1 962 93 93 VAL CB C 35.750 0.300 1 963 93 93 VAL CG1 C 21.609 0.300 2 964 93 93 VAL CG2 C 22.126 0.300 2 965 93 93 VAL N N 128.145 0.300 1 966 94 94 ARG H H 8.641 0.030 1 967 94 94 ARG HA H 5.236 0.030 1 968 94 94 ARG HB2 H 1.807 0.030 2 969 94 94 ARG HB3 H 1.416 0.030 2 970 94 94 ARG HD2 H 3.197 0.030 2 971 94 94 ARG HD3 H 3.131 0.030 2 972 94 94 ARG HG2 H 1.426 0.030 2 973 94 94 ARG HG3 H 1.638 0.030 2 974 94 94 ARG C C 174.963 0.300 1 975 94 94 ARG CA C 54.803 0.300 1 976 94 94 ARG CB C 30.181 0.300 1 977 94 94 ARG CD C 43.346 0.300 1 978 94 94 ARG CG C 28.539 0.300 1 979 94 94 ARG N N 125.397 0.300 1 980 95 95 LEU H H 8.825 0.030 1 981 95 95 LEU HA H 4.553 0.030 1 982 95 95 LEU HB2 H 1.308 0.030 2 983 95 95 LEU HB3 H 1.771 0.030 2 984 95 95 LEU HD1 H 1.008 0.030 1 985 95 95 LEU HD2 H 1.065 0.030 1 986 95 95 LEU HG H 1.576 0.030 1 987 95 95 LEU C C 174.992 0.300 1 988 95 95 LEU CA C 53.157 0.300 1 989 95 95 LEU CB C 45.860 0.300 1 990 95 95 LEU CD1 C 26.239 0.300 2 991 95 95 LEU CD2 C 24.542 0.300 2 992 95 95 LEU CG C 26.608 0.300 1 993 95 95 LEU N N 127.966 0.300 1 994 96 96 LYS H H 9.452 0.030 1 995 96 96 LYS HA H 4.020 0.030 1 996 96 96 LYS HB2 H 1.684 0.030 2 997 96 96 LYS HB3 H 2.110 0.030 2 998 96 96 LYS HD2 H 1.782 0.030 1 999 96 96 LYS HD3 H 1.782 0.030 1 1000 96 96 LYS HE2 H 3.129 0.030 1 1001 96 96 LYS HE3 H 3.129 0.030 1 1002 96 96 LYS HG2 H 1.393 0.030 2 1003 96 96 LYS HG3 H 1.679 0.030 2 1004 96 96 LYS C C 174.465 0.300 1 1005 96 96 LYS CA C 58.375 0.300 1 1006 96 96 LYS CB C 32.489 0.300 1 1007 96 96 LYS CD C 29.540 0.300 1 1008 96 96 LYS CE C 41.949 0.300 1 1009 96 96 LYS CG C 25.130 0.300 1 1010 96 96 LYS N N 129.399 0.300 1 1011 97 97 SER H H 7.851 0.030 1 1012 97 97 SER HA H 5.616 0.030 1 1013 97 97 SER HB2 H 3.804 0.030 1 1014 97 97 SER HB3 H 3.804 0.030 1 1015 97 97 SER C C 177.955 0.300 1 1016 97 97 SER CA C 58.163 0.300 1 1017 97 97 SER CB C 67.482 0.300 1 1018 97 97 SER N N 121.382 0.300 1 1019 98 98 LEU H H 9.326 0.030 1 1020 98 98 LEU HA H 4.280 0.030 1 1021 98 98 LEU HB2 H 2.062 0.030 2 1022 98 98 LEU HB3 H 1.628 0.030 2 1023 98 98 LEU HD1 H 0.921 0.030 1 1024 98 98 LEU HD2 H 0.994 0.030 1 1025 98 98 LEU HG H 1.933 0.030 1 1026 98 98 LEU C C 178.444 0.300 1 1027 98 98 LEU CA C 57.314 0.300 1 1028 98 98 LEU CB C 41.360 0.300 1 1029 98 98 LEU CD1 C 24.609 0.300 2 1030 98 98 LEU CD2 C 22.126 0.300 2 1031 98 98 LEU CG C 27.672 0.300 1 1032 98 98 LEU N N 121.318 0.300 1 1033 99 99 GLN H H 7.443 0.030 1 1034 99 99 GLN HA H 4.128 0.030 1 1035 99 99 GLN HB2 H 2.521 0.030 2 1036 99 99 GLN HB3 H 2.058 0.030 2 1037 99 99 GLN HE21 H 6.385 0.030 2 1038 99 99 GLN HE22 H 7.106 0.030 2 1039 99 99 GLN HG2 H 2.609 0.030 2 1040 99 99 GLN HG3 H 2.652 0.030 2 1041 99 99 GLN C C 176.081 0.300 1 1042 99 99 GLN CA C 56.803 0.300 1 1043 99 99 GLN CB C 27.063 0.300 1 1044 99 99 GLN CG C 31.945 0.300 1 1045 99 99 GLN N N 119.363 0.300 1 1046 99 99 GLN NE2 N 105.893 0.300 1 1047 100 100 GLY H H 7.598 0.030 1 1048 100 100 GLY HA2 H 3.390 0.030 2 1049 100 100 GLY HA3 H 4.618 0.030 2 1050 100 100 GLY C C 174.392 0.300 1 1051 100 100 GLY CA C 45.303 0.300 1 1052 100 100 GLY N N 109.303 0.300 1 1053 101 101 ASP H H 8.804 0.030 1 1054 101 101 ASP HA H 4.866 0.030 1 1055 101 101 ASP HB2 H 2.877 0.030 2 1056 101 101 ASP HB3 H 3.075 0.030 2 1057 101 101 ASP C C 177.488 0.300 1 1058 101 101 ASP CA C 54.449 0.300 1 1059 101 101 ASP CB C 41.309 0.300 1 1060 101 101 ASP N N 121.280 0.300 1 1061 102 102 LYS H H 9.058 0.030 1 1062 102 102 LYS HA H 5.061 0.030 1 1063 102 102 LYS HB2 H 1.843 0.030 2 1064 102 102 LYS HB3 H 1.508 0.030 2 1065 102 102 LYS HD2 H 1.589 0.030 1 1066 102 102 LYS HD3 H 1.589 0.030 1 1067 102 102 LYS HE2 H 2.999 0.030 1 1068 102 102 LYS HE3 H 2.999 0.030 1 1069 102 102 LYS HG2 H 1.597 0.030 2 1070 102 102 LYS HG3 H 1.284 0.030 2 1071 102 102 LYS C C 176.788 0.300 1 1072 102 102 LYS CA C 55.970 0.300 1 1073 102 102 LYS CB C 33.890 0.300 1 1074 102 102 LYS CD C 29.436 0.300 1 1075 102 102 LYS CE C 42.411 0.300 1 1076 102 102 LYS CG C 26.014 0.300 1 1077 102 102 LYS N N 119.838 0.300 1 1078 103 103 LEU H H 9.402 0.030 1 1079 103 103 LEU HA H 4.352 0.030 1 1080 103 103 LEU HB2 H 1.527 0.030 2 1081 103 103 LEU HB3 H 0.787 0.030 2 1082 103 103 LEU HD1 H 0.603 0.030 1 1083 103 103 LEU HD2 H 0.013 0.030 1 1084 103 103 LEU HG H 1.123 0.030 1 1085 103 103 LEU C C 175.958 0.300 1 1086 103 103 LEU CA C 54.013 0.300 1 1087 103 103 LEU CB C 45.019 0.300 1 1088 103 103 LEU CD1 C 24.390 0.300 2 1089 103 103 LEU CD2 C 22.603 0.300 2 1090 103 103 LEU CG C 27.079 0.300 1 1091 103 103 LEU N N 126.320 0.300 1 1092 104 104 GLU H H 8.301 0.030 1 1093 104 104 GLU HA H 4.637 0.030 1 1094 104 104 GLU HB2 H 1.925 0.030 2 1095 104 104 GLU HB3 H 2.010 0.030 2 1096 104 104 GLU HG2 H 2.246 0.030 2 1097 104 104 GLU HG3 H 1.887 0.030 2 1098 104 104 GLU C C 175.012 0.300 1 1099 104 104 GLU CA C 55.687 0.300 1 1100 104 104 GLU CB C 30.263 0.300 1 1101 104 104 GLU CG C 37.257 0.300 1 1102 104 104 GLU N N 121.231 0.300 1 1103 105 105 VAL H H 9.337 0.030 1 1104 105 105 VAL HA H 5.020 0.030 1 1105 105 105 VAL HB H 1.950 0.030 1 1106 105 105 VAL HG1 H 0.854 0.030 1 1107 105 105 VAL HG2 H 0.721 0.030 1 1108 105 105 VAL C C 173.680 0.300 1 1109 105 105 VAL CA C 61.099 0.300 1 1110 105 105 VAL CB C 32.736 0.300 1 1111 105 105 VAL CG1 C 22.299 0.300 2 1112 105 105 VAL CG2 C 21.506 0.300 2 1113 105 105 VAL N N 130.845 0.300 1 1114 106 106 SER H H 9.018 0.030 1 1115 106 106 SER HA H 4.925 0.030 1 1116 106 106 SER HB2 H 3.580 0.030 2 1117 106 106 SER HB3 H 3.737 0.030 2 1118 106 106 SER C C 171.868 0.300 1 1119 106 106 SER CA C 56.500 0.300 1 1120 106 106 SER CB C 67.399 0.300 1 1121 106 106 SER N N 119.995 0.300 1 1122 107 107 LEU H H 7.904 0.030 1 1123 107 107 LEU HA H 5.035 0.030 1 1124 107 107 LEU HB2 H 1.664 0.030 2 1125 107 107 LEU HB3 H 1.174 0.030 2 1126 107 107 LEU HD1 H 0.680 0.030 1 1127 107 107 LEU HD2 H 0.877 0.030 1 1128 107 107 LEU HG H 1.278 0.030 1 1129 107 107 LEU C C 175.705 0.300 1 1130 107 107 LEU CA C 54.272 0.300 1 1131 107 107 LEU CB C 45.055 0.300 1 1132 107 107 LEU CD1 C 23.993 0.300 2 1133 107 107 LEU CD2 C 25.957 0.300 2 1134 107 107 LEU CG C 27.629 0.300 1 1135 107 107 LEU N N 122.851 0.300 1 1136 108 108 LYS H H 8.319 0.030 1 1137 108 108 LYS HA H 4.436 0.030 1 1138 108 108 LYS HB2 H 1.702 0.030 1 1139 108 108 LYS HB3 H 1.702 0.030 1 1140 108 108 LYS HD2 H 1.642 0.030 1 1141 108 108 LYS HD3 H 1.642 0.030 1 1142 108 108 LYS HE2 H 2.933 0.030 1 1143 108 108 LYS HE3 H 2.933 0.030 1 1144 108 108 LYS HG2 H 1.359 0.030 2 1145 108 108 LYS HG3 H 1.277 0.030 2 1146 108 108 LYS C C 176.163 0.300 1 1147 108 108 LYS CA C 55.696 0.300 1 1148 108 108 LYS CB C 34.984 0.300 1 1149 108 108 LYS CD C 29.112 0.300 1 1150 108 108 LYS CE C 42.186 0.300 1 1151 108 108 LYS CG C 24.656 0.300 1 1152 108 108 LYS N N 126.522 0.300 1 1153 109 109 ASN HA H 4.280 0.030 1 1154 109 109 ASN HB2 H 2.753 0.030 2 1155 109 109 ASN HB3 H 2.974 0.030 2 1156 109 109 ASN HD21 H 6.933 0.030 2 1157 109 109 ASN HD22 H 7.653 0.030 2 1158 109 109 ASN C C 174.106 0.300 1 1159 109 109 ASN CA C 54.732 0.300 1 1160 109 109 ASN CB C 37.198 0.300 1 1161 109 109 ASN ND2 N 113.009 0.300 1 1162 110 110 ASN H H 8.687 0.030 1 1163 110 110 ASN HA H 4.153 0.030 1 1164 110 110 ASN HB2 H 2.950 0.030 2 1165 110 110 ASN HB3 H 3.073 0.030 2 1166 110 110 ASN HD21 H 6.862 0.030 2 1167 110 110 ASN HD22 H 7.524 0.030 2 1168 110 110 ASN C C 173.743 0.300 1 1169 110 110 ASN CA C 55.121 0.300 1 1170 110 110 ASN CB C 38.196 0.300 1 1171 110 110 ASN N N 108.726 0.300 1 1172 110 110 ASN ND2 N 112.953 0.300 1 1173 111 111 VAL H H 7.900 0.030 1 1174 111 111 VAL HA H 4.277 0.030 1 1175 111 111 VAL HB H 2.093 0.030 1 1176 111 111 VAL HG1 H 0.917 0.030 1 1177 111 111 VAL HG2 H 0.954 0.030 1 1178 111 111 VAL C C 176.332 0.300 1 1179 111 111 VAL CA C 62.131 0.300 1 1180 111 111 VAL CB C 34.302 0.300 1 1181 111 111 VAL CG1 C 20.621 0.300 2 1182 111 111 VAL CG2 C 21.197 0.300 2 1183 111 111 VAL N N 121.672 0.300 1 1184 112 112 VAL H H 9.459 0.030 1 1185 112 112 VAL HA H 4.605 0.030 1 1186 112 112 VAL HB H 1.797 0.030 1 1187 112 112 VAL HG1 H 0.609 0.030 1 1188 112 112 VAL HG2 H 0.801 0.030 1 1189 112 112 VAL C C 174.664 0.300 1 1190 112 112 VAL CA C 61.564 0.300 1 1191 112 112 VAL CB C 32.146 0.300 1 1192 112 112 VAL CG1 C 21.733 0.300 2 1193 112 112 VAL CG2 C 22.782 0.300 2 1194 112 112 VAL N N 133.489 0.300 1 1195 113 113 SER H H 9.109 0.030 1 1196 113 113 SER HA H 5.356 0.030 1 1197 113 113 SER HB2 H 3.208 0.030 2 1198 113 113 SER HB3 H 3.318 0.030 2 1199 113 113 SER C C 171.896 0.300 1 1200 113 113 SER CA C 56.960 0.300 1 1201 113 113 SER CB C 66.368 0.300 1 1202 113 113 SER N N 120.688 0.300 1 1203 114 114 VAL H H 9.155 0.030 1 1204 114 114 VAL HA H 4.791 0.030 1 1205 114 114 VAL HB H 0.984 0.030 1 1206 114 114 VAL HG1 H 0.660 0.030 1 1207 114 114 VAL HG2 H -0.191 0.030 1 1208 114 114 VAL C C 173.864 0.300 1 1209 114 114 VAL CA C 57.385 0.300 1 1210 114 114 VAL CB C 33.973 0.300 1 1211 114 114 VAL CG1 C 18.207 0.300 2 1212 114 114 VAL CG2 C 22.052 0.300 2 1213 114 114 VAL N N 120.938 0.300 1 1214 115 115 ASN H H 9.784 0.030 1 1215 115 115 ASN HA H 4.264 0.030 1 1216 115 115 ASN HB2 H 2.972 0.030 2 1217 115 115 ASN HB3 H 3.023 0.030 2 1218 115 115 ASN HD21 H 7.187 0.030 2 1219 115 115 ASN HD22 H 7.705 0.030 2 1220 115 115 ASN C C 175.216 0.300 1 1221 115 115 ASN CA C 53.900 0.300 1 1222 115 115 ASN CB C 35.869 0.300 1 1223 115 115 ASN N N 128.251 0.300 1 1224 115 115 ASN ND2 N 111.361 0.300 1 1225 116 116 LYS H H 8.284 0.030 1 1226 116 116 LYS HA H 3.618 0.030 1 1227 116 116 LYS HB2 H 1.942 0.030 2 1228 116 116 LYS HB3 H 2.175 0.030 2 1229 116 116 LYS HD2 H 1.630 0.030 2 1230 116 116 LYS HD3 H 1.564 0.030 2 1231 116 116 LYS HE2 H 2.930 0.030 1 1232 116 116 LYS HE3 H 2.930 0.030 1 1233 116 116 LYS HG2 H 1.283 0.030 2 1234 116 116 LYS HG3 H 1.322 0.030 2 1235 116 116 LYS C C 175.602 0.300 1 1236 116 116 LYS CA C 58.475 0.300 1 1237 116 116 LYS CB C 30.511 0.300 1 1238 116 116 LYS CD C 28.985 0.300 1 1239 116 116 LYS CE C 42.265 0.300 1 1240 116 116 LYS CG C 25.499 0.300 1 1241 116 116 LYS N N 107.121 0.300 1 1242 117 117 GLU H H 8.541 0.030 1 1243 117 117 GLU HA H 4.789 0.030 1 1244 117 117 GLU HB2 H 2.036 0.030 2 1245 117 117 GLU HB3 H 2.176 0.030 2 1246 117 117 GLU HG2 H 2.136 0.030 2 1247 117 117 GLU HG3 H 2.182 0.030 2 1248 117 117 GLU C C 174.220 0.300 1 1249 117 117 GLU CA C 52.892 0.300 1 1250 117 117 GLU CB C 29.302 0.300 1 1251 117 117 GLU CG C 34.942 0.300 1 1252 117 117 GLU N N 125.358 0.300 1 1253 118 118 PRO HA H 4.657 0.030 1 1254 118 118 PRO HB2 H 1.788 0.030 2 1255 118 118 PRO HB3 H 2.070 0.030 2 1256 118 118 PRO HD2 H 3.835 0.030 1 1257 118 118 PRO HD3 H 3.835 0.030 1 1258 118 118 PRO HG2 H 2.140 0.030 2 1259 118 118 PRO HG3 H 1.957 0.030 2 1260 118 118 PRO C C 177.475 0.300 1 1261 118 118 PRO CA C 62.549 0.300 1 1262 118 118 PRO CB C 32.159 0.300 1 1263 118 118 PRO CD C 50.631 0.300 1 1264 118 118 PRO CG C 27.354 0.300 1 1265 119 119 VAL H H 9.225 0.030 1 1266 119 119 VAL HA H 4.279 0.030 1 1267 119 119 VAL HB H 2.214 0.030 1 1268 119 119 VAL HG1 H 0.995 0.030 1 1269 119 119 VAL HG2 H 0.845 0.030 1 1270 119 119 VAL C C 176.477 0.300 1 1271 119 119 VAL CA C 62.125 0.300 1 1272 119 119 VAL CB C 32.188 0.300 1 1273 119 119 VAL CG1 C 22.236 0.300 2 1274 119 119 VAL CG2 C 22.018 0.300 2 1275 119 119 VAL N N 124.946 0.300 1 1276 120 120 ALA H H 8.895 0.030 1 1277 120 120 ALA HA H 4.310 0.030 1 1278 120 120 ALA HB H 1.426 0.030 1 1279 120 120 ALA C C 178.335 0.300 1 1280 120 120 ALA CA C 54.024 0.300 1 1281 120 120 ALA CB C 19.647 0.300 1 1282 120 120 ALA N N 132.570 0.300 1 1283 121 121 GLU H H 6.841 0.030 1 1284 121 121 GLU HA H 4.850 0.030 1 1285 121 121 GLU HB2 H 2.026 0.030 1 1286 121 121 GLU HB3 H 2.026 0.030 1 1287 121 121 GLU HG2 H 2.225 0.030 1 1288 121 121 GLU HG3 H 2.225 0.030 1 1289 121 121 GLU C C 171.888 0.300 1 1290 121 121 GLU CA C 53.458 0.300 1 1291 121 121 GLU CB C 31.500 0.300 1 1292 121 121 GLU CG C 35.194 0.300 1 1293 121 121 GLU N N 115.049 0.300 1 1294 122 122 PRO HA H 5.635 0.030 1 1295 122 122 PRO HB2 H 2.025 0.030 2 1296 122 122 PRO HB3 H 2.079 0.030 2 1297 122 122 PRO HD2 H 3.961 0.030 2 1298 122 122 PRO HD3 H 3.541 0.030 2 1299 122 122 PRO HG2 H 2.082 0.030 1 1300 122 122 PRO HG3 H 2.082 0.030 1 1301 122 122 PRO C C 177.062 0.300 1 1302 122 122 PRO CA C 62.045 0.300 1 1303 122 122 PRO CB C 33.639 0.300 1 1304 122 122 PRO CD C 50.861 0.300 1 1305 122 122 PRO CG C 25.683 0.300 1 1306 123 123 ASP H H 9.729 0.030 1 1307 123 123 ASP HA H 3.874 0.030 1 1308 123 123 ASP HB2 H 2.873 0.030 2 1309 123 123 ASP HB3 H 2.972 0.030 2 1310 123 123 ASP C C 174.949 0.300 1 1311 123 123 ASP CA C 54.816 0.300 1 1312 123 123 ASP CB C 37.731 0.300 1 1313 123 123 ASP N N 114.268 0.300 1 1314 124 124 ILE H H 8.734 0.030 1 1315 124 124 ILE HA H 4.021 0.030 1 1316 124 124 ILE HB H 2.008 0.030 1 1317 124 124 ILE HD1 H 0.723 0.030 1 1318 124 124 ILE HG12 H 0.863 0.030 2 1319 124 124 ILE HG13 H 1.532 0.030 2 1320 124 124 ILE HG2 H 0.798 0.030 1 1321 124 124 ILE C C 175.775 0.300 1 1322 124 124 ILE CA C 62.797 0.300 1 1323 124 124 ILE CB C 36.572 0.300 1 1324 124 124 ILE CD1 C 13.900 0.300 1 1325 124 124 ILE CG1 C 26.932 0.300 1 1326 124 124 ILE CG2 C 18.360 0.300 1 1327 124 124 ILE N N 121.019 0.300 1 1328 125 125 MET H H 8.087 0.030 1 1329 125 125 MET HA H 4.601 0.030 1 1330 125 125 MET HB2 H 1.991 0.030 1 1331 125 125 MET HB3 H 1.991 0.030 1 1332 125 125 MET HE H 1.953 0.030 1 1333 125 125 MET HG2 H 2.652 0.030 2 1334 125 125 MET HG3 H 2.756 0.030 2 1335 125 125 MET C C 174.821 0.300 1 1336 125 125 MET CA C 54.909 0.300 1 1337 125 125 MET CB C 31.170 0.300 1 1338 125 125 MET CE C 15.550 0.300 1 1339 125 125 MET CG C 31.574 0.300 1 1340 125 125 MET N N 125.643 0.300 1 1341 126 126 ALA H H 8.367 0.030 1 1342 126 126 ALA HA H 4.869 0.030 1 1343 126 126 ALA HB H 1.293 0.030 1 1344 126 126 ALA C C 177.895 0.300 1 1345 126 126 ALA CA C 49.992 0.300 1 1346 126 126 ALA CB C 23.126 0.300 1 1347 126 126 ALA N N 122.850 0.300 1 1348 127 127 THR H H 9.179 0.030 1 1349 127 127 THR HA H 4.024 0.030 1 1350 127 127 THR HB H 4.241 0.030 1 1351 127 127 THR HG2 H 1.152 0.030 1 1352 127 127 THR C C 176.315 0.300 1 1353 127 127 THR CA C 64.410 0.300 1 1354 127 127 THR CB C 68.336 0.300 1 1355 127 127 THR CG2 C 22.687 0.300 1 1356 127 127 THR N N 111.020 0.300 1 1357 128 128 ASN H H 7.956 0.030 1 1358 128 128 ASN HA H 5.022 0.030 1 1359 128 128 ASN HB2 H 2.774 0.030 2 1360 128 128 ASN HB3 H 3.317 0.030 2 1361 128 128 ASN HD21 H 8.108 0.030 2 1362 128 128 ASN HD22 H 6.823 0.030 2 1363 128 128 ASN C C 173.202 0.300 1 1364 128 128 ASN CA C 51.124 0.300 1 1365 128 128 ASN CB C 36.921 0.300 1 1366 128 128 ASN N N 117.376 0.300 1 1367 128 128 ASN ND2 N 108.716 0.300 1 1368 129 129 GLY H H 6.893 0.030 1 1369 129 129 GLY HA2 H 3.662 0.030 2 1370 129 129 GLY HA3 H 5.024 0.030 2 1371 129 129 GLY C C 169.948 0.300 1 1372 129 129 GLY CA C 46.702 0.300 1 1373 129 129 GLY N N 102.693 0.300 1 1374 130 130 VAL H H 8.446 0.030 1 1375 130 130 VAL HA H 4.874 0.030 1 1376 130 130 VAL HB H 1.689 0.030 1 1377 130 130 VAL HG1 H 0.721 0.030 1 1378 130 130 VAL HG2 H 0.537 0.030 1 1379 130 130 VAL C C 170.817 0.300 1 1380 130 130 VAL CA C 58.517 0.300 1 1381 130 130 VAL CB C 34.900 0.300 1 1382 130 130 VAL CG1 C 21.036 0.300 2 1383 130 130 VAL CG2 C 23.156 0.300 2 1384 130 130 VAL N N 120.006 0.300 1 1385 131 131 VAL H H 9.093 0.030 1 1386 131 131 VAL HA H 4.626 0.030 1 1387 131 131 VAL HB H 1.837 0.030 1 1388 131 131 VAL HG1 H 0.537 0.030 1 1389 131 131 VAL HG2 H 0.613 0.030 1 1390 131 131 VAL C C 172.895 0.300 1 1391 131 131 VAL CA C 60.462 0.300 1 1392 131 131 VAL CB C 34.067 0.300 1 1393 131 131 VAL CG1 C 21.179 0.300 2 1394 131 131 VAL CG2 C 21.693 0.300 2 1395 131 131 VAL N N 127.534 0.300 1 1396 132 132 HIS H H 8.712 0.030 1 1397 132 132 HIS HA H 5.484 0.030 1 1398 132 132 HIS HB2 H 2.682 0.030 2 1399 132 132 HIS HB3 H 2.899 0.030 2 1400 132 132 HIS HD2 H 5.765 0.030 1 1401 132 132 HIS HE1 H 8.492 0.030 1 1402 132 132 HIS C C 175.654 0.300 1 1403 132 132 HIS CA C 53.175 0.300 1 1404 132 132 HIS CB C 34.265 0.300 1 1405 132 132 HIS CD2 C 117.767 0.300 1 1406 132 132 HIS CE1 C 140.250 0.300 1 1407 132 132 HIS N N 124.154 0.300 1 1408 133 133 VAL H H 8.819 0.030 1 1409 133 133 VAL HA H 4.468 0.030 1 1410 133 133 VAL HB H 2.174 0.030 1 1411 133 133 VAL HG1 H 1.173 0.030 1 1412 133 133 VAL HG2 H 1.315 0.030 1 1413 133 133 VAL C C 176.308 0.300 1 1414 133 133 VAL CA C 64.707 0.300 1 1415 133 133 VAL CB C 32.964 0.300 1 1416 133 133 VAL CG1 C 21.963 0.300 2 1417 133 133 VAL CG2 C 23.303 0.300 2 1418 133 133 VAL N N 124.772 0.300 1 1419 134 134 ILE H H 8.631 0.030 1 1420 134 134 ILE HA H 5.133 0.030 1 1421 134 134 ILE HB H 2.338 0.030 1 1422 134 134 ILE HD1 H 1.149 0.030 1 1423 134 134 ILE HG12 H 1.439 0.030 2 1424 134 134 ILE HG13 H 0.945 0.030 2 1425 134 134 ILE HG2 H 1.108 0.030 1 1426 134 134 ILE C C 175.064 0.300 1 1427 134 134 ILE CA C 60.144 0.300 1 1428 134 134 ILE CB C 42.463 0.300 1 1429 134 134 ILE CD1 C 15.554 0.300 1 1430 134 134 ILE CG1 C 25.003 0.300 1 1431 134 134 ILE CG2 C 19.220 0.300 1 1432 134 134 ILE N N 121.038 0.300 1 1433 135 135 THR H H 9.355 0.030 1 1434 135 135 THR HA H 4.655 0.030 1 1435 135 135 THR HB H 4.456 0.030 1 1436 135 135 THR HG2 H 1.134 0.030 1 1437 135 135 THR C C 173.041 0.300 1 1438 135 135 THR CA C 61.276 0.300 1 1439 135 135 THR CB C 68.724 0.300 1 1440 135 135 THR CG2 C 21.734 0.300 1 1441 135 135 THR N N 108.406 0.300 1 1442 136 136 ASN H H 7.376 0.030 1 1443 136 136 ASN HA H 4.806 0.030 1 1444 136 136 ASN HB2 H 2.312 0.030 2 1445 136 136 ASN HB3 H 2.426 0.030 2 1446 136 136 ASN HD21 H 6.628 0.030 2 1447 136 136 ASN HD22 H 8.094 0.030 2 1448 136 136 ASN C C 172.086 0.300 1 1449 136 136 ASN CA C 52.539 0.300 1 1450 136 136 ASN CB C 43.033 0.300 1 1451 136 136 ASN N N 117.674 0.300 1 1452 136 136 ASN ND2 N 114.684 0.300 1 1453 137 137 VAL H H 8.130 0.030 1 1454 137 137 VAL HA H 3.982 0.030 1 1455 137 137 VAL HB H 1.763 0.030 1 1456 137 137 VAL HG1 H 0.901 0.030 1 1457 137 137 VAL HG2 H 0.129 0.030 1 1458 137 137 VAL C C 176.646 0.300 1 1459 137 137 VAL CA C 62.337 0.300 1 1460 137 137 VAL CB C 32.579 0.300 1 1461 137 137 VAL CG1 C 21.102 0.300 2 1462 137 137 VAL CG2 C 21.212 0.300 2 1463 137 137 VAL N N 118.150 0.300 1 1464 138 138 LEU H H 10.893 0.030 1 1465 138 138 LEU HA H 4.204 0.030 1 1466 138 138 LEU HB2 H 1.098 0.030 2 1467 138 138 LEU HB3 H 0.789 0.030 2 1468 138 138 LEU HD1 H 0.215 0.030 1 1469 138 138 LEU HD2 H 0.637 0.030 1 1470 138 138 LEU HG H 1.525 0.030 1 1471 138 138 LEU C C 175.619 0.300 1 1472 138 138 LEU CA C 54.979 0.300 1 1473 138 138 LEU CB C 41.548 0.300 1 1474 138 138 LEU CD1 C 26.030 0.300 2 1475 138 138 LEU CD2 C 21.769 0.300 2 1476 138 138 LEU CG C 26.026 0.300 1 1477 138 138 LEU N N 131.960 0.300 1 1478 139 139 GLN H H 7.889 0.030 1 1479 139 139 GLN HA H 4.806 0.030 1 1480 139 139 GLN HB2 H 1.772 0.030 2 1481 139 139 GLN HB3 H 1.960 0.030 2 1482 139 139 GLN HE21 H 7.475 0.030 2 1483 139 139 GLN HE22 H 6.724 0.030 2 1484 139 139 GLN HG2 H 2.241 0.030 1 1485 139 139 GLN HG3 H 2.241 0.030 1 1486 139 139 GLN C C 173.662 0.300 1 1487 139 139 GLN CA C 52.185 0.300 1 1488 139 139 GLN CB C 31.253 0.300 1 1489 139 139 GLN CG C 33.569 0.300 1 1490 139 139 GLN N N 114.947 0.300 1 1491 139 139 GLN NE2 N 111.273 0.300 1 1492 140 140 PRO HA H 3.337 0.030 1 1493 140 140 PRO HB2 H 1.618 0.030 2 1494 140 140 PRO HB3 H 1.391 0.030 2 1495 140 140 PRO HD2 H 3.554 0.030 2 1496 140 140 PRO HD3 H 3.273 0.030 2 1497 140 140 PRO HG2 H 1.259 0.030 2 1498 140 140 PRO HG3 H 1.715 0.030 2 1499 140 140 PRO C C 176.537 0.300 1 1500 140 140 PRO CA C 62.479 0.300 1 1501 140 140 PRO CB C 31.500 0.300 1 1502 140 140 PRO CD C 50.434 0.300 1 1503 140 140 PRO CG C 26.389 0.300 1 1504 141 141 SER H H 8.075 0.030 1 1505 141 141 SER HA H 4.283 0.030 1 1506 141 141 SER HB2 H 3.841 0.030 2 1507 141 141 SER C C 174.823 0.300 1 1508 141 141 SER CA C 58.658 0.300 1 1509 141 141 SER CB C 63.986 0.300 1 1510 141 141 SER N N 115.955 0.300 1 1511 142 142 GLY H H 8.175 0.030 1 1512 142 142 GLY HA2 H 4.109 0.030 2 1513 142 142 GLY HA3 H 4.031 0.030 2 1514 142 142 GLY C C 171.718 0.300 1 1515 142 142 GLY CA C 44.739 0.300 1 1516 142 142 GLY N N 110.779 0.300 1 1517 143 143 PRO HA H 4.456 0.030 1 1518 143 143 PRO HB2 H 2.265 0.030 2 1519 143 143 PRO HB3 H 1.950 0.030 2 1520 143 143 PRO HD2 H 3.588 0.030 1 1521 143 143 PRO HD3 H 3.588 0.030 1 1522 143 143 PRO HG2 H 1.976 0.030 1 1523 143 143 PRO HG3 H 1.976 0.030 1 1524 143 143 PRO C C 177.411 0.300 1 1525 143 143 PRO CA C 63.115 0.300 1 1526 143 143 PRO CB C 32.213 0.300 1 1527 143 143 PRO CD C 49.773 0.300 1 1528 143 143 PRO CG C 26.966 0.300 1 1529 144 144 SER H H 8.545 0.030 1 1530 144 144 SER HA H 4.460 0.030 1 1531 144 144 SER HB2 H 3.884 0.030 2 1532 144 144 SER C C 174.779 0.300 1 1533 144 144 SER CA C 58.411 0.300 1 1534 144 144 SER CB C 63.731 0.300 1 1535 144 144 SER N N 116.510 0.300 1 1536 145 145 SER H H 8.364 0.030 1 1537 145 145 SER C C 173.977 0.300 1 1538 145 145 SER CA C 58.411 0.300 1 1539 145 145 SER CB C 63.895 0.300 1 1540 145 145 SER N N 118.014 0.300 1 stop_ save_