data_11102 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of the second thioredoxin domain of human Protein disulfide-isomerase A3 ; _BMRB_accession_number 11102 _BMRB_flat_file_name bmr11102.str _Entry_type original _Submission_date 2010-02-18 _Accession_date 2010-02-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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" 805 "13C chemical shifts" 611 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-17 original author . stop_ _Original_release_date 2011-02-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The solution structure of the second thioredoxin domain of human Protein disulfide-isomerase A3 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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 'Protein disulfide-isomerase A3' _Enzyme_commission_number E.C.5.3.4.1 loop_ _Mol_system_component_name _Mol_label 'thioredoxin 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 'thioredoxin domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; GSSGSSGFDGNLKRYLKSEP IPESNDGPVKVVVAENFDEI VNNENKDVLIEFYAPWCGHC KNLEPKYKELGEKLSKDPNI VIAKMDATANDVPSPYEVRG FPTIYFSPANKKLNPKKYEG GRELSDFISYLQREATSGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PHE 9 ASP 10 GLY 11 ASN 12 LEU 13 LYS 14 ARG 15 TYR 16 LEU 17 LYS 18 SER 19 GLU 20 PRO 21 ILE 22 PRO 23 GLU 24 SER 25 ASN 26 ASP 27 GLY 28 PRO 29 VAL 30 LYS 31 VAL 32 VAL 33 VAL 34 ALA 35 GLU 36 ASN 37 PHE 38 ASP 39 GLU 40 ILE 41 VAL 42 ASN 43 ASN 44 GLU 45 ASN 46 LYS 47 ASP 48 VAL 49 LEU 50 ILE 51 GLU 52 PHE 53 TYR 54 ALA 55 PRO 56 TRP 57 CYS 58 GLY 59 HIS 60 CYS 61 LYS 62 ASN 63 LEU 64 GLU 65 PRO 66 LYS 67 TYR 68 LYS 69 GLU 70 LEU 71 GLY 72 GLU 73 LYS 74 LEU 75 SER 76 LYS 77 ASP 78 PRO 79 ASN 80 ILE 81 VAL 82 ILE 83 ALA 84 LYS 85 MET 86 ASP 87 ALA 88 THR 89 ALA 90 ASN 91 ASP 92 VAL 93 PRO 94 SER 95 PRO 96 TYR 97 GLU 98 VAL 99 ARG 100 GLY 101 PHE 102 PRO 103 THR 104 ILE 105 TYR 106 PHE 107 SER 108 PRO 109 ALA 110 ASN 111 LYS 112 LYS 113 LEU 114 ASN 115 PRO 116 LYS 117 LYS 118 TYR 119 GLU 120 GLY 121 GLY 122 ARG 123 GLU 124 LEU 125 SER 126 ASP 127 PHE 128 ILE 129 SER 130 TYR 131 LEU 132 GLN 133 ARG 134 GLU 135 ALA 136 THR 137 SER 138 GLY 139 PRO 140 SER 141 SER 142 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 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 2DMM "The Solution Structure Of The Second Thioredoxin Domain Of Human Protein Disulfide-Isomerase A3" 100.00 142 100.00 100.00 3.56e-97 DBJ BAG56782 "unnamed protein product [Homo sapiens]" 92.25 279 98.47 99.24 5.04e-87 GB ACA57910 "protein disulfide isomerase-associated 3 precursor (predicted) [Callicebus moloch]" 92.96 301 97.73 99.24 1.25e-87 GB EQB77541 "protein disulfide isomerase-associated 3 precursor-like protein [Camelus ferus]" 78.87 417 98.21 99.11 1.39e-71 REF XP_004056140 "PREDICTED: protein disulfide-isomerase A3 [Gorilla gorilla gorilla]" 92.96 279 98.48 99.24 9.77e-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 . P050627-10 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.3mM thioredoxin 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 1.3 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 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_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 0.955 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $KUJIRA $CYANA stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'thioredoxin 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 4.477 0.030 1 2 6 6 SER HB2 H 3.888 0.030 2 3 6 6 SER C C 174.936 0.300 1 4 6 6 SER CA C 58.667 0.300 1 5 6 6 SER CB C 63.834 0.300 1 6 7 7 GLY H H 8.368 0.030 1 7 7 7 GLY HA2 H 3.920 0.030 2 8 7 7 GLY C C 173.923 0.300 1 9 7 7 GLY CA C 45.259 0.300 1 10 7 7 GLY N N 110.364 0.300 1 11 8 8 PHE H H 8.162 0.030 1 12 8 8 PHE HA H 4.619 0.030 1 13 8 8 PHE HB2 H 3.099 0.030 2 14 8 8 PHE HB3 H 3.001 0.030 2 15 8 8 PHE HD1 H 7.213 0.030 1 16 8 8 PHE HD2 H 7.213 0.030 1 17 8 8 PHE C C 175.578 0.300 1 18 8 8 PHE CA C 57.826 0.300 1 19 8 8 PHE CB C 39.682 0.300 1 20 8 8 PHE CD1 C 131.863 0.300 1 21 8 8 PHE CD2 C 131.863 0.300 1 22 8 8 PHE N N 120.279 0.300 1 23 9 9 ASP H H 8.289 0.030 1 24 9 9 ASP HA H 4.531 0.030 1 25 9 9 ASP HB2 H 2.626 0.030 2 26 9 9 ASP C C 176.654 0.300 1 27 9 9 ASP CA C 54.074 0.300 1 28 9 9 ASP CB C 41.189 0.300 1 29 9 9 ASP N N 122.773 0.300 1 30 10 10 GLY H H 7.890 0.030 1 31 10 10 GLY HA2 H 3.841 0.030 1 32 10 10 GLY HA3 H 3.841 0.030 1 33 10 10 GLY C C 174.211 0.300 1 34 10 10 GLY CA C 45.758 0.300 1 35 10 10 GLY N N 109.097 0.300 1 36 11 11 ASN H H 8.299 0.030 1 37 11 11 ASN HA H 4.671 0.030 1 38 11 11 ASN HB2 H 2.814 0.030 2 39 11 11 ASN HB3 H 2.741 0.030 2 40 11 11 ASN HD21 H 7.637 0.030 2 41 11 11 ASN HD22 H 6.921 0.030 2 42 11 11 ASN C C 175.249 0.300 1 43 11 11 ASN CA C 53.429 0.300 1 44 11 11 ASN CB C 38.807 0.300 1 45 11 11 ASN N N 118.554 0.300 1 46 11 11 ASN ND2 N 113.192 0.300 1 47 12 12 LEU H H 8.060 0.030 1 48 12 12 LEU HA H 4.267 0.030 1 49 12 12 LEU HB2 H 1.616 0.030 2 50 12 12 LEU HB3 H 1.551 0.030 2 51 12 12 LEU HD1 H 0.879 0.030 1 52 12 12 LEU HD2 H 0.846 0.030 1 53 12 12 LEU HG H 1.568 0.030 1 54 12 12 LEU C C 177.159 0.300 1 55 12 12 LEU CA C 55.375 0.300 1 56 12 12 LEU CB C 42.306 0.300 1 57 12 12 LEU CD1 C 24.928 0.300 2 58 12 12 LEU CD2 C 23.507 0.300 2 59 12 12 LEU CG C 26.934 0.300 1 60 12 12 LEU N N 122.063 0.300 1 61 13 13 LYS H H 8.205 0.030 1 62 13 13 LYS HA H 4.199 0.030 1 63 13 13 LYS HB2 H 1.659 0.030 1 64 13 13 LYS HB3 H 1.659 0.030 1 65 13 13 LYS HD2 H 1.627 0.030 1 66 13 13 LYS HD3 H 1.627 0.030 1 67 13 13 LYS HE2 H 2.942 0.030 2 68 13 13 LYS HG2 H 1.336 0.030 2 69 13 13 LYS HG3 H 1.282 0.030 2 70 13 13 LYS C C 176.098 0.300 1 71 13 13 LYS CA C 55.961 0.300 1 72 13 13 LYS CB C 32.689 0.300 1 73 13 13 LYS CD C 29.026 0.300 1 74 13 13 LYS CE C 42.115 0.300 1 75 13 13 LYS CG C 24.772 0.300 1 76 13 13 LYS N N 122.097 0.300 1 77 14 14 ARG H H 8.206 0.030 1 78 14 14 ARG HA H 4.195 0.030 1 79 14 14 ARG HB2 H 1.658 0.030 2 80 14 14 ARG HB3 H 1.596 0.030 2 81 14 14 ARG HD2 H 3.093 0.030 1 82 14 14 ARG HD3 H 3.093 0.030 1 83 14 14 ARG HG2 H 1.460 0.030 2 84 14 14 ARG HG3 H 1.404 0.030 2 85 14 14 ARG C C 175.425 0.300 1 86 14 14 ARG CA C 55.960 0.300 1 87 14 14 ARG CB C 31.008 0.300 1 88 14 14 ARG CD C 43.328 0.300 1 89 14 14 ARG CG C 27.034 0.300 1 90 14 14 ARG N N 122.149 0.300 1 91 15 15 TYR H H 7.897 0.030 1 92 15 15 TYR HA H 4.580 0.030 1 93 15 15 TYR HB2 H 2.992 0.030 2 94 15 15 TYR HB3 H 2.758 0.030 2 95 15 15 TYR HD1 H 7.004 0.030 1 96 15 15 TYR HD2 H 7.004 0.030 1 97 15 15 TYR HE1 H 6.759 0.030 1 98 15 15 TYR HE2 H 6.759 0.030 1 99 15 15 TYR C C 174.990 0.300 1 100 15 15 TYR CA C 56.954 0.300 1 101 15 15 TYR CB C 39.193 0.300 1 102 15 15 TYR CD1 C 133.336 0.300 1 103 15 15 TYR CD2 C 133.336 0.300 1 104 15 15 TYR CE1 C 118.018 0.300 1 105 15 15 TYR CE2 C 118.018 0.300 1 106 15 15 TYR N N 119.988 0.300 1 107 16 16 LEU H H 8.752 0.030 1 108 16 16 LEU HA H 4.260 0.030 1 109 16 16 LEU HB2 H 1.668 0.030 2 110 16 16 LEU HB3 H 1.552 0.030 2 111 16 16 LEU HD1 H 0.801 0.030 1 112 16 16 LEU HD2 H 0.881 0.030 1 113 16 16 LEU HG H 1.488 0.030 1 114 16 16 LEU C C 176.852 0.300 1 115 16 16 LEU CA C 55.654 0.300 1 116 16 16 LEU CB C 42.831 0.300 1 117 16 16 LEU CD1 C 24.052 0.300 2 118 16 16 LEU CD2 C 24.786 0.300 2 119 16 16 LEU CG C 27.131 0.300 1 120 16 16 LEU N N 124.920 0.300 1 121 17 17 LYS H H 8.541 0.030 1 122 17 17 LYS HA H 4.351 0.030 1 123 17 17 LYS HB2 H 1.598 0.030 2 124 17 17 LYS HB3 H 1.553 0.030 2 125 17 17 LYS HD2 H 1.544 0.030 1 126 17 17 LYS HD3 H 1.544 0.030 1 127 17 17 LYS HE2 H 2.808 0.030 2 128 17 17 LYS HE3 H 2.729 0.030 2 129 17 17 LYS HG2 H 1.318 0.030 2 130 17 17 LYS HG3 H 1.125 0.030 2 131 17 17 LYS C C 174.887 0.300 1 132 17 17 LYS CA C 55.856 0.300 1 133 17 17 LYS CB C 33.210 0.300 1 134 17 17 LYS CD C 29.403 0.300 1 135 17 17 LYS CE C 42.006 0.300 1 136 17 17 LYS CG C 24.351 0.300 1 137 17 17 LYS N N 124.604 0.300 1 138 18 18 SER H H 8.191 0.030 1 139 18 18 SER HA H 5.182 0.030 1 140 18 18 SER HB2 H 3.623 0.030 2 141 18 18 SER HB3 H 3.500 0.030 2 142 18 18 SER C C 175.381 0.300 1 143 18 18 SER CA C 56.921 0.300 1 144 18 18 SER CB C 65.900 0.300 1 145 18 18 SER N N 117.829 0.300 1 146 19 19 GLU H H 8.402 0.030 1 147 19 19 GLU HA H 4.628 0.030 1 148 19 19 GLU HB2 H 2.064 0.030 2 149 19 19 GLU HB3 H 2.205 0.030 2 150 19 19 GLU HG2 H 2.373 0.030 2 151 19 19 GLU HG3 H 2.241 0.030 2 152 19 19 GLU C C 174.415 0.300 1 153 19 19 GLU CA C 55.997 0.300 1 154 19 19 GLU CB C 31.236 0.300 1 155 19 19 GLU CG C 38.680 0.300 1 156 19 19 GLU N N 128.344 0.300 1 157 20 20 PRO HA H 4.489 0.030 1 158 20 20 PRO HB2 H 2.286 0.030 2 159 20 20 PRO HB3 H 1.727 0.030 2 160 20 20 PRO HD2 H 3.837 0.030 2 161 20 20 PRO HD3 H 3.629 0.030 2 162 20 20 PRO HG2 H 2.003 0.030 2 163 20 20 PRO C C 176.118 0.300 1 164 20 20 PRO CA C 62.428 0.300 1 165 20 20 PRO CB C 31.825 0.300 1 166 20 20 PRO CD C 50.365 0.300 1 167 20 20 PRO CG C 27.507 0.300 1 168 21 21 ILE H H 8.465 0.030 1 169 21 21 ILE HA H 3.856 0.030 1 170 21 21 ILE HB H 1.689 0.030 1 171 21 21 ILE HD1 H 0.823 0.030 1 172 21 21 ILE HG12 H 1.653 0.030 2 173 21 21 ILE HG13 H 0.834 0.030 2 174 21 21 ILE HG2 H 0.935 0.030 1 175 21 21 ILE C C 175.287 0.300 1 176 21 21 ILE CA C 59.974 0.300 1 177 21 21 ILE CB C 38.351 0.300 1 178 21 21 ILE CD1 C 13.343 0.300 1 179 21 21 ILE CG1 C 28.852 0.300 1 180 21 21 ILE CG2 C 16.887 0.300 1 181 21 21 ILE N N 122.635 0.300 1 182 22 22 PRO HA H 4.367 0.030 1 183 22 22 PRO HB2 H 2.301 0.030 2 184 22 22 PRO HB3 H 1.930 0.030 2 185 22 22 PRO HD2 H 3.480 0.030 2 186 22 22 PRO HD3 H 3.762 0.030 2 187 22 22 PRO HG2 H 1.891 0.030 1 188 22 22 PRO HG3 H 1.891 0.030 1 189 22 22 PRO C C 176.985 0.300 1 190 22 22 PRO CA C 62.658 0.300 1 191 22 22 PRO CB C 32.271 0.300 1 192 22 22 PRO CD C 50.772 0.300 1 193 22 22 PRO CG C 27.320 0.300 1 194 23 23 GLU H H 8.755 0.030 1 195 23 23 GLU HA H 3.993 0.030 1 196 23 23 GLU HB2 H 2.024 0.030 2 197 23 23 GLU HG2 H 2.352 0.030 2 198 23 23 GLU HG3 H 2.277 0.030 2 199 23 23 GLU C C 176.413 0.300 1 200 23 23 GLU CA C 58.576 0.300 1 201 23 23 GLU CB C 29.995 0.300 1 202 23 23 GLU CG C 36.565 0.300 1 203 23 23 GLU N N 122.989 0.300 1 204 24 24 SER H H 7.818 0.030 1 205 24 24 SER HA H 4.462 0.030 1 206 24 24 SER HB2 H 3.754 0.030 2 207 24 24 SER HB3 H 3.814 0.030 2 208 24 24 SER C C 173.293 0.300 1 209 24 24 SER CA C 57.015 0.300 1 210 24 24 SER CB C 64.456 0.300 1 211 24 24 SER N N 110.976 0.300 1 212 25 25 ASN H H 8.963 0.030 1 213 25 25 ASN HA H 4.981 0.030 1 214 25 25 ASN HB2 H 3.274 0.030 2 215 25 25 ASN HB3 H 2.366 0.030 2 216 25 25 ASN HD21 H 8.148 0.030 2 217 25 25 ASN HD22 H 7.846 0.030 2 218 25 25 ASN C C 174.007 0.300 1 219 25 25 ASN CA C 50.924 0.300 1 220 25 25 ASN CB C 38.487 0.300 1 221 25 25 ASN N N 125.082 0.300 1 222 25 25 ASN ND2 N 110.093 0.300 1 223 26 26 ASP H H 8.428 0.030 1 224 26 26 ASP HA H 4.855 0.030 1 225 26 26 ASP HB2 H 2.718 0.030 2 226 26 26 ASP HB3 H 2.608 0.030 2 227 26 26 ASP C C 176.648 0.300 1 228 26 26 ASP CA C 53.810 0.300 1 229 26 26 ASP CB C 41.463 0.300 1 230 26 26 ASP N N 119.396 0.300 1 231 27 27 GLY H H 8.358 0.030 1 232 27 27 GLY HA2 H 3.855 0.030 2 233 27 27 GLY HA3 H 4.284 0.030 2 234 27 27 GLY C C 171.554 0.300 1 235 27 27 GLY CA C 44.587 0.300 1 236 27 27 GLY N N 109.004 0.300 1 237 28 28 PRO HA H 4.170 0.030 1 238 28 28 PRO HB2 H 2.086 0.030 2 239 28 28 PRO HB3 H 1.707 0.030 2 240 28 28 PRO HD2 H 3.731 0.030 2 241 28 28 PRO HD3 H 3.556 0.030 2 242 28 28 PRO HG2 H 1.964 0.030 2 243 28 28 PRO HG3 H 2.083 0.030 2 244 28 28 PRO C C 175.713 0.300 1 245 28 28 PRO CA C 64.383 0.300 1 246 28 28 PRO CB C 31.523 0.300 1 247 28 28 PRO CD C 49.230 0.300 1 248 28 28 PRO CG C 27.402 0.300 1 249 29 29 VAL H H 7.077 0.030 1 250 29 29 VAL HA H 4.283 0.030 1 251 29 29 VAL HB H 1.758 0.030 1 252 29 29 VAL HG1 H 0.776 0.030 1 253 29 29 VAL HG2 H 0.721 0.030 1 254 29 29 VAL C C 176.740 0.300 1 255 29 29 VAL CA C 60.122 0.300 1 256 29 29 VAL CB C 33.166 0.300 1 257 29 29 VAL CG1 C 21.151 0.300 2 258 29 29 VAL CG2 C 21.716 0.300 2 259 29 29 VAL N N 114.465 0.300 1 260 30 30 LYS H H 9.410 0.030 1 261 30 30 LYS HA H 4.001 0.030 1 262 30 30 LYS HB2 H 1.576 0.030 2 263 30 30 LYS HB3 H 1.499 0.030 2 264 30 30 LYS HD2 H 1.557 0.030 2 265 30 30 LYS HD3 H 1.481 0.030 2 266 30 30 LYS HE2 H 3.015 0.030 2 267 30 30 LYS HE3 H 2.958 0.030 2 268 30 30 LYS HG2 H 1.404 0.030 1 269 30 30 LYS HG3 H 1.404 0.030 1 270 30 30 LYS C C 175.071 0.300 1 271 30 30 LYS CA C 55.305 0.300 1 272 30 30 LYS CB C 32.131 0.300 1 273 30 30 LYS CD C 27.783 0.300 1 274 30 30 LYS CE C 42.722 0.300 1 275 30 30 LYS CG C 25.037 0.300 1 276 30 30 LYS N N 129.461 0.300 1 277 31 31 VAL H H 9.318 0.030 1 278 31 31 VAL HA H 3.949 0.030 1 279 31 31 VAL HB H 1.907 0.030 1 280 31 31 VAL HG1 H 0.889 0.030 1 281 31 31 VAL HG2 H 1.010 0.030 1 282 31 31 VAL C C 175.015 0.300 1 283 31 31 VAL CA C 64.062 0.300 1 284 31 31 VAL CB C 32.322 0.300 1 285 31 31 VAL CG1 C 21.059 0.300 2 286 31 31 VAL CG2 C 21.797 0.300 2 287 31 31 VAL N N 126.130 0.300 1 288 32 32 VAL H H 8.891 0.030 1 289 32 32 VAL HA H 4.455 0.030 1 290 32 32 VAL HB H 1.612 0.030 1 291 32 32 VAL HG1 H 0.887 0.030 1 292 32 32 VAL HG2 H 0.524 0.030 1 293 32 32 VAL C C 174.073 0.300 1 294 32 32 VAL CA C 60.532 0.300 1 295 32 32 VAL CB C 33.133 0.300 1 296 32 32 VAL CG1 C 23.939 0.300 2 297 32 32 VAL CG2 C 23.954 0.300 2 298 32 32 VAL N N 129.527 0.300 1 299 33 33 VAL H H 9.272 0.030 1 300 33 33 VAL HA H 4.511 0.030 1 301 33 33 VAL HB H 2.616 0.030 1 302 33 33 VAL HG1 H 0.788 0.030 1 303 33 33 VAL HG2 H 0.573 0.030 1 304 33 33 VAL C C 176.123 0.300 1 305 33 33 VAL CA C 58.153 0.300 1 306 33 33 VAL CB C 34.063 0.300 1 307 33 33 VAL CG1 C 22.331 0.300 2 308 33 33 VAL CG2 C 19.479 0.300 2 309 33 33 VAL N N 120.688 0.300 1 310 34 34 ALA H H 8.571 0.030 1 311 34 34 ALA HA H 3.913 0.030 1 312 34 34 ALA HB H 1.473 0.030 1 313 34 34 ALA C C 181.048 0.300 1 314 34 34 ALA CA C 57.028 0.300 1 315 34 34 ALA CB C 17.600 0.300 1 316 34 34 ALA N N 125.792 0.300 1 317 35 35 GLU H H 8.233 0.030 1 318 35 35 GLU HA H 4.058 0.030 1 319 35 35 GLU HB2 H 1.867 0.030 2 320 35 35 GLU HB3 H 1.953 0.030 2 321 35 35 GLU HG2 H 2.392 0.030 2 322 35 35 GLU HG3 H 2.296 0.030 2 323 35 35 GLU C C 176.743 0.300 1 324 35 35 GLU CA C 58.949 0.300 1 325 35 35 GLU CB C 30.464 0.300 1 326 35 35 GLU CG C 37.005 0.300 1 327 35 35 GLU N N 111.904 0.300 1 328 36 36 ASN H H 7.369 0.030 1 329 36 36 ASN HA H 5.311 0.030 1 330 36 36 ASN HB2 H 3.410 0.030 2 331 36 36 ASN HB3 H 2.425 0.030 2 332 36 36 ASN HD21 H 7.714 0.030 2 333 36 36 ASN HD22 H 6.092 0.030 2 334 36 36 ASN C C 175.498 0.300 1 335 36 36 ASN CA C 51.754 0.300 1 336 36 36 ASN CB C 39.118 0.300 1 337 36 36 ASN N N 114.662 0.300 1 338 36 36 ASN ND2 N 103.721 0.300 1 339 37 37 PHE H H 7.357 0.030 1 340 37 37 PHE HA H 3.686 0.030 1 341 37 37 PHE HB2 H 3.165 0.030 2 342 37 37 PHE HB3 H 3.052 0.030 2 343 37 37 PHE HD1 H 6.980 0.030 1 344 37 37 PHE HD2 H 6.980 0.030 1 345 37 37 PHE HE1 H 7.056 0.030 1 346 37 37 PHE HE2 H 7.056 0.030 1 347 37 37 PHE HZ H 6.226 0.030 1 348 37 37 PHE C C 177.981 0.300 1 349 37 37 PHE CA C 62.339 0.300 1 350 37 37 PHE CB C 41.018 0.300 1 351 37 37 PHE CD1 C 132.686 0.300 1 352 37 37 PHE CD2 C 132.686 0.300 1 353 37 37 PHE CE1 C 130.576 0.300 1 354 37 37 PHE CE2 C 130.576 0.300 1 355 37 37 PHE CZ C 129.860 0.300 1 356 37 37 PHE N N 121.025 0.300 1 357 38 38 ASP H H 8.970 0.030 1 358 38 38 ASP HA H 4.422 0.030 1 359 38 38 ASP HB2 H 2.701 0.030 1 360 38 38 ASP HB3 H 2.701 0.030 1 361 38 38 ASP C C 178.277 0.300 1 362 38 38 ASP CA C 58.048 0.300 1 363 38 38 ASP CB C 40.459 0.300 1 364 38 38 ASP N N 117.540 0.300 1 365 39 39 GLU H H 7.950 0.030 1 366 39 39 GLU HA H 3.853 0.030 1 367 39 39 GLU HB2 H 2.105 0.030 2 368 39 39 GLU HB3 H 2.037 0.030 2 369 39 39 GLU HG2 H 2.286 0.030 2 370 39 39 GLU HG3 H 2.130 0.030 2 371 39 39 GLU C C 177.570 0.300 1 372 39 39 GLU CA C 58.794 0.300 1 373 39 39 GLU CB C 29.728 0.300 1 374 39 39 GLU CG C 35.977 0.300 1 375 39 39 GLU N N 119.152 0.300 1 376 40 40 ILE H H 7.637 0.030 1 377 40 40 ILE HA H 3.958 0.030 1 378 40 40 ILE HB H 1.445 0.030 1 379 40 40 ILE HD1 H 0.697 0.030 1 380 40 40 ILE HG12 H 1.181 0.030 2 381 40 40 ILE HG13 H 1.483 0.030 2 382 40 40 ILE HG2 H 0.487 0.030 1 383 40 40 ILE C C 176.601 0.300 1 384 40 40 ILE CA C 62.509 0.300 1 385 40 40 ILE CB C 38.273 0.300 1 386 40 40 ILE CD1 C 12.018 0.300 1 387 40 40 ILE CG1 C 28.089 0.300 1 388 40 40 ILE CG2 C 16.222 0.300 1 389 40 40 ILE N N 115.161 0.300 1 390 41 41 VAL H H 8.356 0.030 1 391 41 41 VAL HA H 3.308 0.030 1 392 41 41 VAL HB H 1.058 0.030 1 393 41 41 VAL HG1 H 0.530 0.030 1 394 41 41 VAL HG2 H -0.165 0.030 1 395 41 41 VAL C C 176.421 0.300 1 396 41 41 VAL CA C 65.287 0.300 1 397 41 41 VAL CB C 31.140 0.300 1 398 41 41 VAL CG1 C 20.784 0.300 2 399 41 41 VAL CG2 C 22.152 0.300 2 400 41 41 VAL N N 116.990 0.300 1 401 42 42 ASN H H 6.922 0.030 1 402 42 42 ASN HA H 4.883 0.030 1 403 42 42 ASN HB2 H 3.176 0.030 2 404 42 42 ASN HB3 H 3.068 0.030 2 405 42 42 ASN HD21 H 8.239 0.030 2 406 42 42 ASN HD22 H 6.825 0.030 2 407 42 42 ASN CA C 52.812 0.300 1 408 42 42 ASN CB C 37.488 0.300 1 409 42 42 ASN N N 113.243 0.300 1 410 42 42 ASN ND2 N 111.252 0.300 1 411 43 43 ASN H H 8.853 0.030 1 412 43 43 ASN HA H 4.453 0.030 1 413 43 43 ASN HB2 H 2.806 0.030 2 414 43 43 ASN HB3 H 2.610 0.030 2 415 43 43 ASN HD21 H 7.031 0.030 2 416 43 43 ASN HD22 H 7.923 0.030 2 417 43 43 ASN CA C 53.606 0.300 1 418 43 43 ASN CB C 37.932 0.300 1 419 43 43 ASN N N 126.875 0.300 1 420 43 43 ASN ND2 N 111.934 0.300 1 421 44 44 GLU H H 6.205 0.030 1 422 44 44 GLU HB2 H 2.129 0.030 2 423 44 44 GLU HB3 H 1.977 0.030 2 424 44 44 GLU HG2 H 2.287 0.030 2 425 44 44 GLU HG3 H 2.342 0.030 2 426 44 44 GLU C C 175.409 0.300 1 427 44 44 GLU CA C 58.771 0.300 1 428 44 44 GLU CB C 29.764 0.300 1 429 44 44 GLU CG C 36.260 0.300 1 430 45 45 ASN H H 8.113 0.030 1 431 45 45 ASN HA H 4.776 0.030 1 432 45 45 ASN HB2 H 2.917 0.030 2 433 45 45 ASN HB3 H 2.605 0.030 2 434 45 45 ASN HD21 H 7.047 0.030 2 435 45 45 ASN HD22 H 7.633 0.030 2 436 45 45 ASN C C 175.145 0.300 1 437 45 45 ASN CA C 53.372 0.300 1 438 45 45 ASN CB C 39.735 0.300 1 439 45 45 ASN N N 112.420 0.300 1 440 45 45 ASN ND2 N 114.086 0.300 1 441 46 46 LYS H H 7.748 0.030 1 442 46 46 LYS HA H 4.883 0.030 1 443 46 46 LYS HB2 H 1.512 0.030 2 444 46 46 LYS HB3 H 1.482 0.030 2 445 46 46 LYS HD2 H 1.339 0.030 2 446 46 46 LYS HD3 H 1.604 0.030 2 447 46 46 LYS HE2 H 2.856 0.030 2 448 46 46 LYS HE3 H 2.783 0.030 2 449 46 46 LYS HG2 H 1.072 0.030 2 450 46 46 LYS HG3 H 1.436 0.030 2 451 46 46 LYS C C 175.733 0.300 1 452 46 46 LYS CA C 53.520 0.300 1 453 46 46 LYS CB C 35.053 0.300 1 454 46 46 LYS CD C 28.669 0.300 1 455 46 46 LYS CE C 42.606 0.300 1 456 46 46 LYS CG C 24.251 0.300 1 457 46 46 LYS N N 117.333 0.300 1 458 47 47 ASP H H 8.563 0.030 1 459 47 47 ASP HA H 4.844 0.030 1 460 47 47 ASP HB2 H 2.833 0.030 2 461 47 47 ASP HB3 H 2.713 0.030 2 462 47 47 ASP C C 175.016 0.300 1 463 47 47 ASP CA C 53.697 0.300 1 464 47 47 ASP CB C 43.003 0.300 1 465 47 47 ASP N N 125.064 0.300 1 466 48 48 VAL H H 7.900 0.030 1 467 48 48 VAL HA H 5.021 0.030 1 468 48 48 VAL HB H 1.877 0.030 1 469 48 48 VAL HG1 H 0.564 0.030 1 470 48 48 VAL HG2 H 0.871 0.030 1 471 48 48 VAL C C 173.806 0.300 1 472 48 48 VAL CA C 60.526 0.300 1 473 48 48 VAL CB C 35.129 0.300 1 474 48 48 VAL CG1 C 20.583 0.300 2 475 48 48 VAL CG2 C 20.508 0.300 2 476 48 48 VAL N N 122.306 0.300 1 477 49 49 LEU H H 9.073 0.030 1 478 49 49 LEU HA H 5.433 0.030 1 479 49 49 LEU HB2 H 2.281 0.030 2 480 49 49 LEU HB3 H 1.161 0.030 2 481 49 49 LEU HD1 H 0.962 0.030 1 482 49 49 LEU HD2 H 0.667 0.030 1 483 49 49 LEU HG H 1.688 0.030 1 484 49 49 LEU C C 173.666 0.300 1 485 49 49 LEU CA C 53.440 0.300 1 486 49 49 LEU CB C 45.204 0.300 1 487 49 49 LEU CD1 C 24.074 0.300 2 488 49 49 LEU CD2 C 27.787 0.300 2 489 49 49 LEU CG C 26.889 0.300 1 490 49 49 LEU N N 131.865 0.300 1 491 50 50 ILE H H 9.576 0.030 1 492 50 50 ILE HA H 4.894 0.030 1 493 50 50 ILE HB H 1.060 0.030 1 494 50 50 ILE HD1 H 0.245 0.030 1 495 50 50 ILE HG12 H 0.340 0.030 2 496 50 50 ILE HG13 H 0.132 0.030 2 497 50 50 ILE HG2 H 0.774 0.030 1 498 50 50 ILE C C 171.225 0.300 1 499 50 50 ILE CA C 56.603 0.300 1 500 50 50 ILE CB C 42.207 0.300 1 501 50 50 ILE CD1 C 15.304 0.300 1 502 50 50 ILE CG1 C 28.999 0.300 1 503 50 50 ILE CG2 C 15.912 0.300 1 504 50 50 ILE N N 124.415 0.300 1 505 51 51 GLU H H 7.974 0.030 1 506 51 51 GLU HA H 4.636 0.030 1 507 51 51 GLU HB2 H 1.922 0.030 2 508 51 51 GLU HB3 H 1.140 0.030 2 509 51 51 GLU HG2 H 1.717 0.030 2 510 51 51 GLU HG3 H 1.791 0.030 2 511 51 51 GLU C C 174.058 0.300 1 512 51 51 GLU CA C 53.756 0.300 1 513 51 51 GLU CB C 28.837 0.300 1 514 51 51 GLU CG C 31.022 0.300 1 515 51 51 GLU N N 127.865 0.300 1 516 52 52 PHE H H 9.881 0.030 1 517 52 52 PHE HA H 5.716 0.030 1 518 52 52 PHE HB2 H 3.409 0.030 2 519 52 52 PHE HB3 H 3.014 0.030 2 520 52 52 PHE HD1 H 7.266 0.030 1 521 52 52 PHE HD2 H 7.266 0.030 1 522 52 52 PHE HE1 H 7.330 0.030 1 523 52 52 PHE HE2 H 7.330 0.030 1 524 52 52 PHE HZ H 6.419 0.030 1 525 52 52 PHE C C 175.506 0.300 1 526 52 52 PHE CA C 56.823 0.300 1 527 52 52 PHE CB C 39.855 0.300 1 528 52 52 PHE CD1 C 131.515 0.300 1 529 52 52 PHE CD2 C 131.515 0.300 1 530 52 52 PHE CE1 C 131.522 0.300 1 531 52 52 PHE CE2 C 131.522 0.300 1 532 52 52 PHE CZ C 128.736 0.300 1 533 52 52 PHE N N 128.719 0.300 1 534 53 53 TYR H H 8.784 0.030 1 535 53 53 TYR HA H 5.408 0.030 1 536 53 53 TYR HB2 H 2.868 0.030 2 537 53 53 TYR HB3 H 2.541 0.030 2 538 53 53 TYR HD1 H 6.563 0.030 1 539 53 53 TYR HD2 H 6.563 0.030 1 540 53 53 TYR HE1 H 6.401 0.030 1 541 53 53 TYR HE2 H 6.401 0.030 1 542 53 53 TYR C C 170.786 0.300 1 543 53 53 TYR CA C 54.940 0.300 1 544 53 53 TYR CB C 42.962 0.300 1 545 53 53 TYR CD1 C 133.058 0.300 1 546 53 53 TYR CD2 C 133.058 0.300 1 547 53 53 TYR CE1 C 117.262 0.300 1 548 53 53 TYR CE2 C 117.262 0.300 1 549 53 53 TYR N N 120.926 0.300 1 550 54 54 ALA H H 7.046 0.030 1 551 54 54 ALA HA H 4.235 0.030 1 552 54 54 ALA HB H -0.880 0.030 1 553 54 54 ALA C C 176.985 0.300 1 554 54 54 ALA CA C 47.567 0.300 1 555 54 54 ALA CB C 19.249 0.300 1 556 54 54 ALA N N 119.735 0.300 1 557 55 55 PRO HA H 4.292 0.030 1 558 55 55 PRO HB2 H 2.318 0.030 2 559 55 55 PRO HB3 H 2.041 0.030 2 560 55 55 PRO HD2 H 3.436 0.030 2 561 55 55 PRO HD3 H 3.132 0.030 2 562 55 55 PRO HG2 H 2.095 0.030 2 563 55 55 PRO HG3 H 2.026 0.030 2 564 55 55 PRO C C 175.651 0.300 1 565 55 55 PRO CA C 64.464 0.300 1 566 55 55 PRO CB C 31.883 0.300 1 567 55 55 PRO CD C 51.088 0.300 1 568 55 55 PRO CG C 27.496 0.300 1 569 56 56 TRP H H 5.923 0.030 1 570 56 56 TRP HA H 4.601 0.030 1 571 56 56 TRP HB2 H 3.577 0.030 2 572 56 56 TRP HB3 H 3.193 0.030 2 573 56 56 TRP HD1 H 7.316 0.030 1 574 56 56 TRP HE1 H 10.337 0.030 1 575 56 56 TRP HE3 H 7.376 0.030 1 576 56 56 TRP HH2 H 7.410 0.030 1 577 56 56 TRP HZ2 H 7.486 0.030 1 578 56 56 TRP HZ3 H 7.277 0.030 1 579 56 56 TRP C C 176.034 0.300 1 580 56 56 TRP CA C 53.907 0.300 1 581 56 56 TRP CB C 29.278 0.300 1 582 56 56 TRP CD1 C 128.448 0.300 1 583 56 56 TRP CE3 C 120.835 0.300 1 584 56 56 TRP CH2 C 125.702 0.300 1 585 56 56 TRP CZ2 C 115.041 0.300 1 586 56 56 TRP CZ3 C 122.370 0.300 1 587 56 56 TRP N N 110.394 0.300 1 588 56 56 TRP NE1 N 130.865 0.300 1 589 57 57 CYS H H 6.592 0.030 1 590 57 57 CYS HA H 4.400 0.030 1 591 57 57 CYS HB2 H 2.646 0.030 2 592 57 57 CYS HB3 H 2.266 0.030 2 593 57 57 CYS C C 177.981 0.300 1 594 57 57 CYS CA C 60.068 0.300 1 595 57 57 CYS CB C 30.106 0.300 1 596 57 57 CYS N N 126.281 0.300 1 597 58 58 GLY H H 9.087 0.030 1 598 58 58 GLY HA2 H 3.972 0.030 2 599 58 58 GLY HA3 H 3.825 0.030 2 600 58 58 GLY C C 176.930 0.300 1 601 58 58 GLY CA C 47.572 0.300 1 602 58 58 GLY N N 119.337 0.300 1 603 59 59 HIS H H 9.460 0.030 1 604 59 59 HIS HA H 4.653 0.030 1 605 59 59 HIS HB2 H 3.474 0.030 2 606 59 59 HIS HB3 H 3.041 0.030 2 607 59 59 HIS HD2 H 7.339 0.030 1 608 59 59 HIS HE1 H 7.861 0.030 1 609 59 59 HIS C C 180.791 0.300 1 610 59 59 HIS CA C 59.390 0.300 1 611 59 59 HIS CB C 30.933 0.300 1 612 59 59 HIS CD2 C 119.791 0.300 1 613 59 59 HIS CE1 C 139.303 0.300 1 614 59 59 HIS N N 127.130 0.300 1 615 60 60 CYS H H 9.821 0.030 1 616 60 60 CYS HA H 3.971 0.030 1 617 60 60 CYS HB2 H 3.541 0.030 2 618 60 60 CYS HB3 H 2.727 0.030 2 619 60 60 CYS C C 178.469 0.300 1 620 60 60 CYS CA C 64.435 0.300 1 621 60 60 CYS CB C 28.689 0.300 1 622 60 60 CYS N N 128.329 0.300 1 623 61 61 LYS H H 8.715 0.030 1 624 61 61 LYS HA H 4.008 0.030 1 625 61 61 LYS HB2 H 1.887 0.030 2 626 61 61 LYS HE2 H 2.964 0.030 2 627 61 61 LYS HG2 H 1.530 0.030 2 628 61 61 LYS HG3 H 1.437 0.030 2 629 61 61 LYS C C 179.067 0.300 1 630 61 61 LYS CA C 59.639 0.300 1 631 61 61 LYS CB C 31.943 0.300 1 632 61 61 LYS CD C 28.811 0.300 1 633 61 61 LYS CE C 42.051 0.300 1 634 61 61 LYS CG C 24.869 0.300 1 635 61 61 LYS N N 123.912 0.300 1 636 62 62 ASN H H 7.845 0.030 1 637 62 62 ASN HA H 4.488 0.030 1 638 62 62 ASN HB2 H 2.976 0.030 2 639 62 62 ASN HB3 H 2.877 0.030 2 640 62 62 ASN HD21 H 7.766 0.030 2 641 62 62 ASN HD22 H 6.910 0.030 2 642 62 62 ASN C C 176.805 0.300 1 643 62 62 ASN CA C 55.667 0.300 1 644 62 62 ASN CB C 38.733 0.300 1 645 62 62 ASN N N 117.242 0.300 1 646 62 62 ASN ND2 N 112.231 0.300 1 647 63 63 LEU H H 7.464 0.030 1 648 63 63 LEU HA H 4.433 0.030 1 649 63 63 LEU HB2 H 1.679 0.030 2 650 63 63 LEU HB3 H 1.848 0.030 2 651 63 63 LEU HD1 H 1.286 0.030 1 652 63 63 LEU HD2 H 0.813 0.030 1 653 63 63 LEU HG H 1.630 0.030 1 654 63 63 LEU C C 177.189 0.300 1 655 63 63 LEU CA C 55.939 0.300 1 656 63 63 LEU CB C 42.591 0.300 1 657 63 63 LEU CD1 C 24.218 0.300 2 658 63 63 LEU CD2 C 26.732 0.300 2 659 63 63 LEU CG C 27.113 0.300 1 660 63 63 LEU N N 117.905 0.300 1 661 64 64 GLU H H 7.482 0.030 1 662 64 64 GLU HA H 4.004 0.030 1 663 64 64 GLU HB2 H 2.237 0.030 2 664 64 64 GLU HB3 H 2.031 0.030 2 665 64 64 GLU HG2 H 2.195 0.030 2 666 64 64 GLU HG3 H 2.043 0.030 2 667 64 64 GLU C C 174.841 0.300 1 668 64 64 GLU CA C 61.770 0.300 1 669 64 64 GLU CB C 27.330 0.300 1 670 64 64 GLU CG C 35.895 0.300 1 671 64 64 GLU N N 119.562 0.300 1 672 65 65 PRO HA H 4.392 0.030 1 673 65 65 PRO HB2 H 2.341 0.030 2 674 65 65 PRO HB3 H 1.968 0.030 2 675 65 65 PRO HD2 H 3.767 0.030 2 676 65 65 PRO HD3 H 3.941 0.030 2 677 65 65 PRO HG2 H 2.128 0.030 2 678 65 65 PRO HG3 H 2.075 0.030 2 679 65 65 PRO C C 179.967 0.300 1 680 65 65 PRO CA C 65.969 0.300 1 681 65 65 PRO CB C 31.012 0.300 1 682 65 65 PRO CD C 49.944 0.300 1 683 65 65 PRO CG C 28.512 0.300 1 684 66 66 LYS H H 7.174 0.030 1 685 66 66 LYS HA H 4.363 0.030 1 686 66 66 LYS HB2 H 2.181 0.030 2 687 66 66 LYS HB3 H 1.900 0.030 2 688 66 66 LYS HD2 H 1.913 0.030 2 689 66 66 LYS HD3 H 1.856 0.030 2 690 66 66 LYS HE2 H 3.130 0.030 2 691 66 66 LYS HG2 H 1.722 0.030 2 692 66 66 LYS HG3 H 1.619 0.030 2 693 66 66 LYS C C 177.385 0.300 1 694 66 66 LYS CA C 58.535 0.300 1 695 66 66 LYS CB C 32.928 0.300 1 696 66 66 LYS CD C 29.851 0.300 1 697 66 66 LYS CE C 42.287 0.300 1 698 66 66 LYS CG C 25.798 0.300 1 699 66 66 LYS N N 119.495 0.300 1 700 67 67 TYR H H 8.391 0.030 1 701 67 67 TYR HA H 3.610 0.030 1 702 67 67 TYR HB2 H 2.914 0.030 2 703 67 67 TYR HB3 H 2.469 0.030 2 704 67 67 TYR HD1 H 6.363 0.030 1 705 67 67 TYR HD2 H 6.363 0.030 1 706 67 67 TYR HE1 H 6.014 0.030 1 707 67 67 TYR HE2 H 6.014 0.030 1 708 67 67 TYR C C 176.730 0.300 1 709 67 67 TYR CA C 61.977 0.300 1 710 67 67 TYR CB C 38.677 0.300 1 711 67 67 TYR CD1 C 131.514 0.300 1 712 67 67 TYR CD2 C 131.514 0.300 1 713 67 67 TYR CE1 C 117.496 0.300 1 714 67 67 TYR CE2 C 117.496 0.300 1 715 67 67 TYR N N 122.866 0.300 1 716 68 68 LYS H H 7.782 0.030 1 717 68 68 LYS HA H 3.767 0.030 1 718 68 68 LYS HB2 H 1.816 0.030 2 719 68 68 LYS HB3 H 1.738 0.030 2 720 68 68 LYS HD2 H 1.666 0.030 2 721 68 68 LYS HD3 H 1.605 0.030 2 722 68 68 LYS HE2 H 2.915 0.030 1 723 68 68 LYS HE3 H 2.915 0.030 1 724 68 68 LYS HG2 H 1.358 0.030 2 725 68 68 LYS HG3 H 1.271 0.030 2 726 68 68 LYS C C 178.241 0.300 1 727 68 68 LYS CA C 59.525 0.300 1 728 68 68 LYS CB C 32.312 0.300 1 729 68 68 LYS CD C 29.776 0.300 1 730 68 68 LYS CE C 42.049 0.300 1 731 68 68 LYS CG C 25.171 0.300 1 732 68 68 LYS N N 116.706 0.300 1 733 69 69 GLU H H 7.488 0.030 1 734 69 69 GLU HA H 4.006 0.030 1 735 69 69 GLU HB2 H 2.189 0.030 2 736 69 69 GLU HB3 H 2.126 0.030 2 737 69 69 GLU HG2 H 2.471 0.030 2 738 69 69 GLU HG3 H 2.171 0.030 2 739 69 69 GLU C C 178.604 0.300 1 740 69 69 GLU CA C 59.449 0.300 1 741 69 69 GLU CB C 29.279 0.300 1 742 69 69 GLU CG C 36.863 0.300 1 743 69 69 GLU N N 119.701 0.300 1 744 70 70 LEU H H 7.911 0.030 1 745 70 70 LEU HA H 3.709 0.030 1 746 70 70 LEU HB2 H 1.941 0.030 2 747 70 70 LEU HB3 H 1.012 0.030 2 748 70 70 LEU HD1 H 0.732 0.030 1 749 70 70 LEU HD2 H 0.036 0.030 1 750 70 70 LEU HG H 1.025 0.030 1 751 70 70 LEU C C 177.634 0.300 1 752 70 70 LEU CA C 58.294 0.300 1 753 70 70 LEU CB C 40.796 0.300 1 754 70 70 LEU CD1 C 24.127 0.300 2 755 70 70 LEU CD2 C 26.276 0.300 2 756 70 70 LEU CG C 26.418 0.300 1 757 70 70 LEU N N 121.708 0.300 1 758 71 71 GLY H H 7.633 0.030 1 759 71 71 GLY HA2 H 3.380 0.030 1 760 71 71 GLY HA3 H 3.380 0.030 1 761 71 71 GLY C C 176.752 0.300 1 762 71 71 GLY CA C 47.307 0.300 1 763 71 71 GLY N N 103.918 0.300 1 764 72 72 GLU H H 8.357 0.030 1 765 72 72 GLU HA H 3.923 0.030 1 766 72 72 GLU HB2 H 2.228 0.030 2 767 72 72 GLU HB3 H 1.985 0.030 2 768 72 72 GLU HG2 H 2.378 0.030 2 769 72 72 GLU HG3 H 2.148 0.030 2 770 72 72 GLU C C 180.560 0.300 1 771 72 72 GLU CA C 59.718 0.300 1 772 72 72 GLU CB C 29.547 0.300 1 773 72 72 GLU CG C 36.704 0.300 1 774 72 72 GLU N N 121.460 0.300 1 775 73 73 LYS H H 8.748 0.030 1 776 73 73 LYS HA H 4.078 0.030 1 777 73 73 LYS HB2 H 2.024 0.030 2 778 73 73 LYS HB3 H 1.892 0.030 2 779 73 73 LYS HE2 H 2.962 0.030 2 780 73 73 LYS HG2 H 1.602 0.030 2 781 73 73 LYS HG3 H 1.543 0.030 2 782 73 73 LYS C C 178.970 0.300 1 783 73 73 LYS CA C 58.710 0.300 1 784 73 73 LYS CB C 31.961 0.300 1 785 73 73 LYS CD C 28.948 0.300 1 786 73 73 LYS CE C 42.054 0.300 1 787 73 73 LYS CG C 25.444 0.300 1 788 73 73 LYS N N 121.361 0.300 1 789 74 74 LEU H H 7.616 0.030 1 790 74 74 LEU HA H 4.581 0.030 1 791 74 74 LEU HB2 H 1.839 0.030 2 792 74 74 LEU HB3 H 1.586 0.030 2 793 74 74 LEU HD1 H 0.794 0.030 1 794 74 74 LEU HD2 H 0.824 0.030 1 795 74 74 LEU HG H 1.633 0.030 1 796 74 74 LEU C C 178.512 0.300 1 797 74 74 LEU CA C 54.129 0.300 1 798 74 74 LEU CB C 40.826 0.300 1 799 74 74 LEU CD1 C 26.684 0.300 2 800 74 74 LEU CD2 C 22.762 0.300 2 801 74 74 LEU CG C 27.582 0.300 1 802 74 74 LEU N N 117.986 0.300 1 803 75 75 SER H H 7.488 0.030 1 804 75 75 SER HA H 4.110 0.030 1 805 75 75 SER HB2 H 4.177 0.030 2 806 75 75 SER HB3 H 4.003 0.030 2 807 75 75 SER C C 175.420 0.300 1 808 75 75 SER CA C 61.873 0.300 1 809 75 75 SER CB C 63.207 0.300 1 810 75 75 SER N N 117.210 0.300 1 811 76 76 LYS H H 8.171 0.030 1 812 76 76 LYS HA H 4.403 0.030 1 813 76 76 LYS HB2 H 1.998 0.030 2 814 76 76 LYS HB3 H 1.749 0.030 2 815 76 76 LYS HD2 H 1.647 0.030 1 816 76 76 LYS HD3 H 1.647 0.030 1 817 76 76 LYS HE2 H 3.005 0.030 2 818 76 76 LYS HG2 H 1.445 0.030 2 819 76 76 LYS HG3 H 1.381 0.030 2 820 76 76 LYS C C 175.972 0.300 1 821 76 76 LYS CA C 55.774 0.300 1 822 76 76 LYS CB C 31.487 0.300 1 823 76 76 LYS CD C 28.742 0.300 1 824 76 76 LYS CE C 42.260 0.300 1 825 76 76 LYS CG C 24.763 0.300 1 826 76 76 LYS N N 119.130 0.300 1 827 77 77 ASP H H 7.960 0.030 1 828 77 77 ASP HA H 4.920 0.030 1 829 77 77 ASP HB2 H 3.037 0.030 2 830 77 77 ASP HB3 H 2.523 0.030 2 831 77 77 ASP C C 175.381 0.300 1 832 77 77 ASP CA C 52.011 0.300 1 833 77 77 ASP CB C 42.726 0.300 1 834 77 77 ASP N N 123.773 0.300 1 835 78 78 PRO HA H 4.489 0.030 1 836 78 78 PRO HB2 H 2.259 0.030 2 837 78 78 PRO HB3 H 1.955 0.030 2 838 78 78 PRO HD2 H 3.944 0.030 2 839 78 78 PRO HD3 H 3.845 0.030 2 840 78 78 PRO HG2 H 2.019 0.030 2 841 78 78 PRO HG3 H 1.921 0.030 2 842 78 78 PRO C C 177.112 0.300 1 843 78 78 PRO CA C 63.835 0.300 1 844 78 78 PRO CB C 32.308 0.300 1 845 78 78 PRO CD C 50.837 0.300 1 846 78 78 PRO CG C 26.793 0.300 1 847 79 79 ASN H H 8.710 0.030 1 848 79 79 ASN HA H 4.851 0.030 1 849 79 79 ASN HB2 H 3.095 0.030 2 850 79 79 ASN HB3 H 2.914 0.030 2 851 79 79 ASN HD21 H 7.021 0.030 2 852 79 79 ASN HD22 H 8.021 0.030 2 853 79 79 ASN C C 173.493 0.300 1 854 79 79 ASN CA C 54.339 0.300 1 855 79 79 ASN CB C 40.535 0.300 1 856 79 79 ASN N N 115.997 0.300 1 857 79 79 ASN ND2 N 115.653 0.300 1 858 80 80 ILE H H 7.692 0.030 1 859 80 80 ILE HA H 5.168 0.030 1 860 80 80 ILE HB H 1.661 0.030 1 861 80 80 ILE HD1 H 0.946 0.030 1 862 80 80 ILE HG12 H 1.132 0.030 2 863 80 80 ILE HG13 H 1.678 0.030 2 864 80 80 ILE HG2 H 0.853 0.030 1 865 80 80 ILE C C 174.977 0.300 1 866 80 80 ILE CA C 59.615 0.300 1 867 80 80 ILE CB C 40.499 0.300 1 868 80 80 ILE CD1 C 14.377 0.300 1 869 80 80 ILE CG1 C 28.894 0.300 1 870 80 80 ILE CG2 C 18.035 0.300 1 871 80 80 ILE N N 119.511 0.300 1 872 81 81 VAL H H 8.905 0.030 1 873 81 81 VAL HA H 4.060 0.030 1 874 81 81 VAL HB H 1.859 0.030 1 875 81 81 VAL HG1 H 0.702 0.030 1 876 81 81 VAL HG2 H 0.863 0.030 1 877 81 81 VAL C C 172.800 0.300 1 878 81 81 VAL CA C 61.315 0.300 1 879 81 81 VAL CB C 35.089 0.300 1 880 81 81 VAL CG1 C 20.535 0.300 2 881 81 81 VAL CG2 C 20.831 0.300 2 882 81 81 VAL N N 128.945 0.300 1 883 82 82 ILE H H 8.845 0.030 1 884 82 82 ILE HA H 4.501 0.030 1 885 82 82 ILE HB H 2.110 0.030 1 886 82 82 ILE HD1 H 0.481 0.030 1 887 82 82 ILE HG12 H 1.607 0.030 2 888 82 82 ILE HG13 H 0.752 0.030 2 889 82 82 ILE HG2 H 0.209 0.030 1 890 82 82 ILE C C 174.952 0.300 1 891 82 82 ILE CA C 58.399 0.300 1 892 82 82 ILE CB C 35.126 0.300 1 893 82 82 ILE CD1 C 9.946 0.300 1 894 82 82 ILE CG1 C 26.669 0.300 1 895 82 82 ILE CG2 C 18.416 0.300 1 896 82 82 ILE N N 128.359 0.300 1 897 83 83 ALA H H 9.359 0.030 1 898 83 83 ALA HA H 5.603 0.030 1 899 83 83 ALA HB H 0.994 0.030 1 900 83 83 ALA C C 176.154 0.300 1 901 83 83 ALA CA C 50.530 0.300 1 902 83 83 ALA CB C 23.721 0.300 1 903 83 83 ALA N N 128.744 0.300 1 904 84 84 LYS H H 9.094 0.030 1 905 84 84 LYS HA H 5.488 0.030 1 906 84 84 LYS HB2 H 1.854 0.030 2 907 84 84 LYS HB3 H 1.565 0.030 2 908 84 84 LYS HD2 H 1.307 0.030 2 909 84 84 LYS HD3 H 1.182 0.030 2 910 84 84 LYS HE2 H 2.637 0.030 2 911 84 84 LYS HE3 H 2.858 0.030 2 912 84 84 LYS HG2 H 1.318 0.030 2 913 84 84 LYS HG3 H 1.502 0.030 2 914 84 84 LYS C C 171.867 0.300 1 915 84 84 LYS CA C 54.572 0.300 1 916 84 84 LYS CB C 36.581 0.300 1 917 84 84 LYS CD C 30.113 0.300 1 918 84 84 LYS CE C 42.527 0.300 1 919 84 84 LYS CG C 23.496 0.300 1 920 84 84 LYS N N 120.513 0.300 1 921 85 85 MET H H 8.987 0.030 1 922 85 85 MET HA H 4.823 0.030 1 923 85 85 MET HB2 H 1.611 0.030 2 924 85 85 MET HB3 H 1.770 0.030 2 925 85 85 MET HE H 1.964 0.030 1 926 85 85 MET HG2 H 2.813 0.030 2 927 85 85 MET HG3 H 1.861 0.030 2 928 85 85 MET C C 173.575 0.300 1 929 85 85 MET CA C 55.172 0.300 1 930 85 85 MET CB C 39.855 0.300 1 931 85 85 MET CE C 20.173 0.300 1 932 85 85 MET CG C 33.191 0.300 1 933 85 85 MET N N 119.162 0.300 1 934 86 86 ASP H H 9.167 0.030 1 935 86 86 ASP HA H 3.308 0.030 1 936 86 86 ASP HB2 H 2.645 0.030 2 937 86 86 ASP HB3 H 2.200 0.030 2 938 86 86 ASP C C 177.125 0.300 1 939 86 86 ASP CA C 52.688 0.300 1 940 86 86 ASP CB C 38.880 0.300 1 941 86 86 ASP N N 127.392 0.300 1 942 87 87 ALA H H 8.698 0.030 1 943 87 87 ALA HA H 4.519 0.030 1 944 87 87 ALA HB H 1.669 0.030 1 945 87 87 ALA C C 176.076 0.300 1 946 87 87 ALA CA C 52.542 0.300 1 947 87 87 ALA CB C 19.838 0.300 1 948 87 87 ALA N N 131.966 0.300 1 949 88 88 THR H H 9.138 0.030 1 950 88 88 THR HA H 4.633 0.030 1 951 88 88 THR HB H 4.415 0.030 1 952 88 88 THR HG2 H 1.070 0.030 1 953 88 88 THR C C 175.241 0.300 1 954 88 88 THR CA C 62.221 0.300 1 955 88 88 THR CB C 69.279 0.300 1 956 88 88 THR CG2 C 23.079 0.300 1 957 88 88 THR N N 110.143 0.300 1 958 89 89 ALA H H 6.792 0.030 1 959 89 89 ALA HA H 4.502 0.030 1 960 89 89 ALA HB H 1.213 0.030 1 961 89 89 ALA C C 174.848 0.300 1 962 89 89 ALA CA C 50.696 0.300 1 963 89 89 ALA CB C 21.399 0.300 1 964 89 89 ALA N N 124.020 0.300 1 965 90 90 ASN H H 7.032 0.030 1 966 90 90 ASN HA H 4.962 0.030 1 967 90 90 ASN HB2 H 2.456 0.030 1 968 90 90 ASN HB3 H 2.456 0.030 1 969 90 90 ASN HD21 H 8.957 0.030 2 970 90 90 ASN HD22 H 8.537 0.030 2 971 90 90 ASN C C 173.756 0.300 1 972 90 90 ASN CA C 51.761 0.300 1 973 90 90 ASN CB C 46.462 0.300 1 974 90 90 ASN N N 114.133 0.300 1 975 90 90 ASN ND2 N 122.451 0.300 1 976 91 91 ASP H H 8.175 0.030 1 977 91 91 ASP HA H 4.462 0.030 1 978 91 91 ASP HB2 H 2.529 0.030 2 979 91 91 ASP HB3 H 2.466 0.030 2 980 91 91 ASP C C 174.882 0.300 1 981 91 91 ASP CA C 55.054 0.300 1 982 91 91 ASP CB C 41.518 0.300 1 983 91 91 ASP N N 121.608 0.300 1 984 92 92 VAL H H 8.334 0.030 1 985 92 92 VAL HA H 3.872 0.030 1 986 92 92 VAL HB H 1.776 0.030 1 987 92 92 VAL HG1 H 0.303 0.030 1 988 92 92 VAL HG2 H 0.808 0.030 1 989 92 92 VAL C C 174.821 0.300 1 990 92 92 VAL CA C 59.292 0.300 1 991 92 92 VAL CB C 32.833 0.300 1 992 92 92 VAL CG1 C 21.559 0.300 2 993 92 92 VAL CG2 C 21.204 0.300 2 994 92 92 VAL N N 123.979 0.300 1 995 93 93 PRO HA H 4.401 0.030 1 996 93 93 PRO HB2 H 1.883 0.030 2 997 93 93 PRO HB3 H 1.706 0.030 2 998 93 93 PRO HD2 H 3.219 0.030 2 999 93 93 PRO HD3 H 2.493 0.030 2 1000 93 93 PRO HG2 H 0.924 0.030 2 1001 93 93 PRO HG3 H 0.641 0.030 2 1002 93 93 PRO C C 176.078 0.300 1 1003 93 93 PRO CA C 62.394 0.300 1 1004 93 93 PRO CB C 31.940 0.300 1 1005 93 93 PRO CD C 50.534 0.300 1 1006 93 93 PRO CG C 25.989 0.300 1 1007 94 94 SER H H 8.266 0.030 1 1008 94 94 SER HA H 4.513 0.030 1 1009 94 94 SER HB2 H 3.773 0.030 2 1010 94 94 SER HB3 H 3.864 0.030 2 1011 94 94 SER C C 174.213 0.300 1 1012 94 94 SER CA C 57.237 0.300 1 1013 94 94 SER CB C 62.825 0.300 1 1014 94 94 SER N N 115.062 0.300 1 1015 95 95 PRO HA H 4.855 0.030 1 1016 95 95 PRO HB2 H 2.313 0.030 2 1017 95 95 PRO HB3 H 1.965 0.030 2 1018 95 95 PRO HD2 H 3.500 0.030 2 1019 95 95 PRO HD3 H 3.144 0.030 2 1020 95 95 PRO HG2 H 1.779 0.030 2 1021 95 95 PRO HG3 H 0.801 0.030 2 1022 95 95 PRO C C 175.226 0.300 1 1023 95 95 PRO CA C 63.520 0.300 1 1024 95 95 PRO CB C 32.639 0.300 1 1025 95 95 PRO CD C 49.129 0.300 1 1026 95 95 PRO CG C 23.897 0.300 1 1027 96 96 TYR H H 8.317 0.030 1 1028 96 96 TYR HA H 3.197 0.030 1 1029 96 96 TYR HB2 H 2.894 0.030 2 1030 96 96 TYR HB3 H 1.784 0.030 2 1031 96 96 TYR HD1 H 6.230 0.030 1 1032 96 96 TYR HD2 H 6.230 0.030 1 1033 96 96 TYR HE1 H 6.645 0.030 1 1034 96 96 TYR HE2 H 6.645 0.030 1 1035 96 96 TYR C C 174.213 0.300 1 1036 96 96 TYR CA C 60.452 0.300 1 1037 96 96 TYR CB C 37.795 0.300 1 1038 96 96 TYR CD1 C 132.735 0.300 1 1039 96 96 TYR CD2 C 132.735 0.300 1 1040 96 96 TYR CE1 C 117.447 0.300 1 1041 96 96 TYR CE2 C 117.447 0.300 1 1042 96 96 TYR N N 125.861 0.300 1 1043 97 97 GLU H H 7.800 0.030 1 1044 97 97 GLU HA H 4.368 0.030 1 1045 97 97 GLU HB2 H 1.892 0.030 2 1046 97 97 GLU HG2 H 2.164 0.030 2 1047 97 97 GLU HG3 H 1.990 0.030 2 1048 97 97 GLU C C 174.699 0.300 1 1049 97 97 GLU CA C 55.243 0.300 1 1050 97 97 GLU CB C 32.296 0.300 1 1051 97 97 GLU CG C 36.153 0.300 1 1052 97 97 GLU N N 120.983 0.300 1 1053 98 98 VAL H H 8.765 0.030 1 1054 98 98 VAL HA H 4.066 0.030 1 1055 98 98 VAL HB H 1.855 0.030 1 1056 98 98 VAL HG1 H 0.591 0.030 1 1057 98 98 VAL HG2 H 0.372 0.030 1 1058 98 98 VAL C C 174.943 0.300 1 1059 98 98 VAL CA C 61.925 0.300 1 1060 98 98 VAL CB C 32.326 0.300 1 1061 98 98 VAL CG1 C 22.009 0.300 2 1062 98 98 VAL CG2 C 22.236 0.300 2 1063 98 98 VAL N N 125.723 0.300 1 1064 99 99 ARG HA H 4.389 0.030 1 1065 99 99 ARG HB2 H 1.863 0.030 2 1066 99 99 ARG HB3 H 1.546 0.030 2 1067 99 99 ARG HD2 H 3.137 0.030 2 1068 99 99 ARG HD3 H 3.093 0.030 2 1069 99 99 ARG HG2 H 1.486 0.030 2 1070 99 99 ARG HG3 H 1.424 0.030 2 1071 99 99 ARG C C 175.106 0.300 1 1072 99 99 ARG CA C 54.867 0.300 1 1073 99 99 ARG CB C 30.485 0.300 1 1074 99 99 ARG CD C 43.082 0.300 1 1075 99 99 ARG CG C 27.202 0.300 1 1076 100 100 GLY H H 7.315 0.030 1 1077 100 100 GLY HA2 H 3.849 0.030 2 1078 100 100 GLY HA3 H 3.494 0.030 2 1079 100 100 GLY C C 170.794 0.300 1 1080 100 100 GLY CA C 43.645 0.300 1 1081 100 100 GLY N N 108.598 0.300 1 1082 101 101 PHE H H 8.505 0.030 1 1083 101 101 PHE HA H 5.120 0.030 1 1084 101 101 PHE HB2 H 3.144 0.030 2 1085 101 101 PHE HB3 H 2.830 0.030 2 1086 101 101 PHE HD1 H 7.056 0.030 1 1087 101 101 PHE HD2 H 7.056 0.030 1 1088 101 101 PHE HE1 H 7.153 0.030 1 1089 101 101 PHE HE2 H 7.153 0.030 1 1090 101 101 PHE HZ H 7.118 0.030 1 1091 101 101 PHE C C 173.594 0.300 1 1092 101 101 PHE CA C 54.554 0.300 1 1093 101 101 PHE CB C 42.259 0.300 1 1094 101 101 PHE CD1 C 131.886 0.300 1 1095 101 101 PHE CD2 C 131.886 0.300 1 1096 101 101 PHE CE1 C 131.028 0.300 1 1097 101 101 PHE CE2 C 131.028 0.300 1 1098 101 101 PHE CZ C 129.134 0.300 1 1099 101 101 PHE N N 116.568 0.300 1 1100 102 102 PRO HA H 5.266 0.030 1 1101 102 102 PRO HB2 H 2.933 0.030 2 1102 102 102 PRO HB3 H 1.798 0.030 2 1103 102 102 PRO HD2 H 3.814 0.030 2 1104 102 102 PRO HD3 H 3.428 0.030 2 1105 102 102 PRO HG2 H 1.916 0.030 1 1106 102 102 PRO HG3 H 1.916 0.030 1 1107 102 102 PRO C C 177.639 0.300 1 1108 102 102 PRO CA C 63.514 0.300 1 1109 102 102 PRO CB C 34.549 0.300 1 1110 102 102 PRO CD C 49.671 0.300 1 1111 102 102 PRO CG C 24.465 0.300 1 1112 103 103 THR H H 8.931 0.030 1 1113 103 103 THR HA H 4.663 0.030 1 1114 103 103 THR HB H 4.344 0.030 1 1115 103 103 THR HG2 H 1.709 0.030 1 1116 103 103 THR C C 172.284 0.300 1 1117 103 103 THR CA C 63.997 0.300 1 1118 103 103 THR CB C 72.267 0.300 1 1119 103 103 THR CG2 C 22.245 0.300 1 1120 103 103 THR N N 117.258 0.300 1 1121 104 104 ILE H H 9.869 0.030 1 1122 104 104 ILE HA H 5.484 0.030 1 1123 104 104 ILE HB H 1.910 0.030 1 1124 104 104 ILE HD1 H 0.953 0.030 1 1125 104 104 ILE HG12 H 0.779 0.030 2 1126 104 104 ILE HG13 H 1.631 0.030 2 1127 104 104 ILE HG2 H 0.822 0.030 1 1128 104 104 ILE C C 174.208 0.300 1 1129 104 104 ILE CA C 60.025 0.300 1 1130 104 104 ILE CB C 40.778 0.300 1 1131 104 104 ILE CD1 C 14.052 0.300 1 1132 104 104 ILE CG1 C 28.741 0.300 1 1133 104 104 ILE CG2 C 17.694 0.300 1 1134 104 104 ILE N N 130.136 0.300 1 1135 105 105 TYR H H 9.499 0.030 1 1136 105 105 TYR HA H 5.620 0.030 1 1137 105 105 TYR HB2 H 3.246 0.030 2 1138 105 105 TYR HB3 H 3.036 0.030 2 1139 105 105 TYR HD1 H 7.100 0.030 1 1140 105 105 TYR HD2 H 7.100 0.030 1 1141 105 105 TYR HE1 H 6.926 0.030 1 1142 105 105 TYR HE2 H 6.926 0.030 1 1143 105 105 TYR C C 173.749 0.300 1 1144 105 105 TYR CA C 56.396 0.300 1 1145 105 105 TYR CB C 46.179 0.300 1 1146 105 105 TYR CD1 C 133.389 0.300 1 1147 105 105 TYR CD2 C 133.389 0.300 1 1148 105 105 TYR CE1 C 118.385 0.300 1 1149 105 105 TYR CE2 C 118.385 0.300 1 1150 105 105 TYR N N 126.058 0.300 1 1151 106 106 PHE H H 10.123 0.030 1 1152 106 106 PHE HA H 5.700 0.030 1 1153 106 106 PHE HB2 H 3.442 0.030 2 1154 106 106 PHE HB3 H 3.207 0.030 2 1155 106 106 PHE HD1 H 7.186 0.030 1 1156 106 106 PHE HD2 H 7.186 0.030 1 1157 106 106 PHE HE1 H 7.147 0.030 1 1158 106 106 PHE HE2 H 7.147 0.030 1 1159 106 106 PHE HZ H 7.135 0.030 1 1160 106 106 PHE C C 173.712 0.300 1 1161 106 106 PHE CA C 55.854 0.300 1 1162 106 106 PHE CB C 43.416 0.300 1 1163 106 106 PHE CD1 C 131.570 0.300 1 1164 106 106 PHE CD2 C 131.570 0.300 1 1165 106 106 PHE CE1 C 131.279 0.300 1 1166 106 106 PHE CE2 C 131.279 0.300 1 1167 106 106 PHE CZ C 128.889 0.300 1 1168 106 106 PHE N N 120.547 0.300 1 1169 107 107 SER H H 9.626 0.030 1 1170 107 107 SER HA H 4.904 0.030 1 1171 107 107 SER HB2 H 3.810 0.030 2 1172 107 107 SER HB3 H 3.970 0.030 2 1173 107 107 SER C C 173.750 0.300 1 1174 107 107 SER CA C 53.638 0.300 1 1175 107 107 SER CB C 61.966 0.300 1 1176 107 107 SER N N 124.489 0.300 1 1177 108 108 PRO HA H 4.103 0.030 1 1178 108 108 PRO HB2 H 2.524 0.030 2 1179 108 108 PRO HB3 H 1.743 0.030 2 1180 108 108 PRO HD2 H 3.461 0.030 2 1181 108 108 PRO HD3 H 4.353 0.030 2 1182 108 108 PRO HG2 H 2.002 0.030 1 1183 108 108 PRO HG3 H 2.002 0.030 1 1184 108 108 PRO C C 176.706 0.300 1 1185 108 108 PRO CA C 61.746 0.300 1 1186 108 108 PRO CB C 32.095 0.300 1 1187 108 108 PRO CD C 50.848 0.300 1 1188 108 108 PRO CG C 26.882 0.300 1 1189 109 109 ALA H H 9.297 0.030 1 1190 109 109 ALA HA H 3.743 0.030 1 1191 109 109 ALA HB H 1.107 0.030 1 1192 109 109 ALA CA C 54.407 0.300 1 1193 109 109 ALA CB C 18.266 0.300 1 1194 109 109 ALA N N 125.750 0.300 1 1195 110 110 ASN H H 8.572 0.030 1 1196 110 110 ASN HA H 4.637 0.030 1 1197 110 110 ASN HB2 H 3.023 0.030 2 1198 110 110 ASN HB3 H 2.956 0.030 2 1199 110 110 ASN HD21 H 7.625 0.030 2 1200 110 110 ASN HD22 H 6.950 0.030 2 1201 110 110 ASN C C 175.409 0.300 1 1202 110 110 ASN CA C 54.346 0.300 1 1203 110 110 ASN CB C 38.683 0.300 1 1204 110 110 ASN ND2 N 112.550 0.300 1 1205 111 111 LYS H H 7.638 0.030 1 1206 111 111 LYS HA H 4.969 0.030 1 1207 111 111 LYS HB2 H 2.069 0.030 2 1208 111 111 LYS HB3 H 1.247 0.030 2 1209 111 111 LYS HD2 H 1.626 0.030 2 1210 111 111 LYS HD3 H 1.815 0.030 2 1211 111 111 LYS HE2 H 3.014 0.030 2 1212 111 111 LYS HE3 H 2.957 0.030 2 1213 111 111 LYS HG2 H 1.425 0.030 2 1214 111 111 LYS HG3 H 1.358 0.030 2 1215 111 111 LYS C C 177.213 0.300 1 1216 111 111 LYS CA C 54.700 0.300 1 1217 111 111 LYS CB C 33.049 0.300 1 1218 111 111 LYS CD C 29.523 0.300 1 1219 111 111 LYS CE C 42.568 0.300 1 1220 111 111 LYS CG C 24.921 0.300 1 1221 111 111 LYS N N 122.058 0.300 1 1222 112 112 LYS H H 8.224 0.030 1 1223 112 112 LYS HA H 3.968 0.030 1 1224 112 112 LYS HB2 H 1.833 0.030 1 1225 112 112 LYS HB3 H 1.833 0.030 1 1226 112 112 LYS HD2 H 1.673 0.030 2 1227 112 112 LYS HE2 H 2.710 0.030 2 1228 112 112 LYS HE3 H 3.098 0.030 2 1229 112 112 LYS HG2 H 1.396 0.030 2 1230 112 112 LYS HG3 H 1.288 0.030 2 1231 112 112 LYS C C 180.011 0.300 1 1232 112 112 LYS CA C 55.940 0.300 1 1233 112 112 LYS CB C 30.813 0.300 1 1234 112 112 LYS CD C 27.231 0.300 1 1235 112 112 LYS CE C 44.879 0.300 1 1236 112 112 LYS CG C 23.975 0.300 1 1237 112 112 LYS N N 115.226 0.300 1 1238 113 113 LEU H H 8.367 0.030 1 1239 113 113 LEU HA H 4.252 0.030 1 1240 113 113 LEU HB2 H 1.587 0.030 2 1241 113 113 LEU HB3 H 1.689 0.030 2 1242 113 113 LEU HD2 H 0.818 0.030 1 1243 113 113 LEU C C 176.321 0.300 1 1244 113 113 LEU CA C 55.157 0.300 1 1245 113 113 LEU CB C 41.476 0.300 1 1246 113 113 LEU CD1 C 24.831 0.300 2 1247 113 113 LEU CD2 C 22.917 0.300 2 1248 113 113 LEU N N 117.307 0.300 1 1249 114 114 ASN H H 7.602 0.030 1 1250 114 114 ASN HA H 5.180 0.030 1 1251 114 114 ASN HB2 H 2.817 0.030 2 1252 114 114 ASN HB3 H 2.307 0.030 2 1253 114 114 ASN HD21 H 6.814 0.030 2 1254 114 114 ASN HD22 H 7.637 0.030 2 1255 114 114 ASN CA C 51.480 0.300 1 1256 114 114 ASN CB C 40.784 0.300 1 1257 114 114 ASN N N 116.071 0.300 1 1258 114 114 ASN ND2 N 112.394 0.300 1 1259 115 115 PRO HA H 4.876 0.030 1 1260 115 115 PRO HB2 H 2.305 0.030 2 1261 115 115 PRO HB3 H 1.954 0.030 2 1262 115 115 PRO HD2 H 3.330 0.030 2 1263 115 115 PRO HD3 H 3.182 0.030 2 1264 115 115 PRO HG2 H 1.366 0.030 2 1265 115 115 PRO HG3 H 0.971 0.030 2 1266 115 115 PRO C C 175.997 0.300 1 1267 115 115 PRO CA C 63.402 0.300 1 1268 115 115 PRO CB C 33.052 0.300 1 1269 115 115 PRO CD C 49.426 0.300 1 1270 115 115 PRO CG C 26.341 0.300 1 1271 116 116 LYS H H 9.381 0.030 1 1272 116 116 LYS HA H 4.844 0.030 1 1273 116 116 LYS HB2 H 2.129 0.030 2 1274 116 116 LYS HB3 H 2.049 0.030 2 1275 116 116 LYS HD2 H 1.913 0.030 2 1276 116 116 LYS HE2 H 3.123 0.030 2 1277 116 116 LYS HG2 H 1.639 0.030 2 1278 116 116 LYS HG3 H 1.763 0.030 2 1279 116 116 LYS C C 175.409 0.300 1 1280 116 116 LYS CA C 54.995 0.300 1 1281 116 116 LYS CB C 35.171 0.300 1 1282 116 116 LYS CD C 29.874 0.300 1 1283 116 116 LYS CE C 42.260 0.300 1 1284 116 116 LYS CG C 24.893 0.300 1 1285 116 116 LYS N N 119.263 0.300 1 1286 117 117 LYS H H 8.911 0.030 1 1287 117 117 LYS HA H 3.602 0.030 1 1288 117 117 LYS HB2 H 1.593 0.030 2 1289 117 117 LYS HB3 H 1.314 0.030 2 1290 117 117 LYS HD2 H 1.558 0.030 2 1291 117 117 LYS HE2 H 2.962 0.030 1 1292 117 117 LYS HE3 H 2.962 0.030 1 1293 117 117 LYS HG2 H 0.977 0.030 1 1294 117 117 LYS HG3 H 0.977 0.030 1 1295 117 117 LYS C C 176.362 0.300 1 1296 117 117 LYS CA C 57.296 0.300 1 1297 117 117 LYS CB C 32.485 0.300 1 1298 117 117 LYS CD C 29.291 0.300 1 1299 117 117 LYS CE C 42.123 0.300 1 1300 117 117 LYS CG C 25.386 0.300 1 1301 117 117 LYS N N 126.173 0.300 1 1302 118 118 TYR H H 9.155 0.030 1 1303 118 118 TYR HA H 4.165 0.030 1 1304 118 118 TYR HB2 H 2.743 0.030 2 1305 118 118 TYR HB3 H 2.363 0.030 2 1306 118 118 TYR HD1 H 6.128 0.030 1 1307 118 118 TYR HD2 H 6.128 0.030 1 1308 118 118 TYR HE1 H 6.100 0.030 1 1309 118 118 TYR HE2 H 6.100 0.030 1 1310 118 118 TYR CA C 58.624 0.300 1 1311 118 118 TYR CB C 38.692 0.300 1 1312 118 118 TYR CD1 C 131.956 0.300 1 1313 118 118 TYR CD2 C 131.956 0.300 1 1314 118 118 TYR CE1 C 118.150 0.300 1 1315 118 118 TYR CE2 C 118.150 0.300 1 1316 118 118 TYR N N 129.720 0.300 1 1317 119 119 GLU H H 8.060 0.030 1 1318 119 119 GLU HA H 4.454 0.030 1 1319 119 119 GLU HB2 H 2.089 0.030 2 1320 119 119 GLU HB3 H 1.545 0.030 2 1321 119 119 GLU HG2 H 2.007 0.030 2 1322 119 119 GLU HG3 H 1.908 0.030 2 1323 119 119 GLU C C 175.277 0.300 1 1324 119 119 GLU CA C 54.759 0.300 1 1325 119 119 GLU CB C 30.842 0.300 1 1326 119 119 GLU CG C 36.316 0.300 1 1327 119 119 GLU N N 128.225 0.300 1 1328 120 120 GLY H H 5.532 0.030 1 1329 120 120 GLY HA2 H 3.945 0.030 2 1330 120 120 GLY HA3 H 3.438 0.030 2 1331 120 120 GLY C C 173.378 0.300 1 1332 120 120 GLY CA C 44.097 0.300 1 1333 120 120 GLY N N 105.750 0.300 1 1334 121 121 GLY H H 8.325 0.030 1 1335 121 121 GLY HA2 H 3.714 0.030 2 1336 121 121 GLY HA3 H 3.921 0.030 2 1337 121 121 GLY C C 173.879 0.300 1 1338 121 121 GLY CA C 44.978 0.300 1 1339 121 121 GLY N N 105.037 0.300 1 1340 122 122 ARG H H 8.435 0.030 1 1341 122 122 ARG HA H 4.321 0.030 1 1342 122 122 ARG HB2 H 2.306 0.030 2 1343 122 122 ARG HB3 H 1.597 0.030 2 1344 122 122 ARG HD2 H 3.233 0.030 1 1345 122 122 ARG HD3 H 3.233 0.030 1 1346 122 122 ARG HG2 H 1.726 0.030 2 1347 122 122 ARG HG3 H 1.463 0.030 2 1348 122 122 ARG C C 175.763 0.300 1 1349 122 122 ARG CA C 55.160 0.300 1 1350 122 122 ARG CB C 30.112 0.300 1 1351 122 122 ARG CD C 44.289 0.300 1 1352 122 122 ARG CG C 28.373 0.300 1 1353 122 122 ARG N N 117.792 0.300 1 1354 123 123 GLU H H 8.102 0.030 1 1355 123 123 GLU HA H 4.632 0.030 1 1356 123 123 GLU HB2 H 2.194 0.030 2 1357 123 123 GLU HB3 H 1.834 0.030 2 1358 123 123 GLU HG2 H 2.399 0.030 2 1359 123 123 GLU HG3 H 2.216 0.030 2 1360 123 123 GLU C C 177.892 0.300 1 1361 123 123 GLU CA C 54.189 0.300 1 1362 123 123 GLU CB C 29.757 0.300 1 1363 123 123 GLU CG C 35.605 0.300 1 1364 123 123 GLU N N 116.501 0.300 1 1365 124 124 LEU H H 9.304 0.030 1 1366 124 124 LEU HA H 4.122 0.030 1 1367 124 124 LEU HB2 H 1.866 0.030 2 1368 124 124 LEU HB3 H 1.654 0.030 2 1369 124 124 LEU HD1 H 0.901 0.030 1 1370 124 124 LEU HD2 H 0.939 0.030 1 1371 124 124 LEU HG H 1.659 0.030 1 1372 124 124 LEU C C 178.663 0.300 1 1373 124 124 LEU CA C 59.715 0.300 1 1374 124 124 LEU CB C 41.673 0.300 1 1375 124 124 LEU CD1 C 25.586 0.300 2 1376 124 124 LEU CD2 C 24.141 0.300 2 1377 124 124 LEU CG C 27.194 0.300 1 1378 124 124 LEU N N 123.954 0.300 1 1379 125 125 SER H H 8.610 0.030 1 1380 125 125 SER HA H 4.002 0.030 1 1381 125 125 SER HB2 H 3.885 0.030 2 1382 125 125 SER HB3 H 3.818 0.030 2 1383 125 125 SER C C 177.254 0.300 1 1384 125 125 SER CA C 61.192 0.300 1 1385 125 125 SER CB C 62.098 0.300 1 1386 125 125 SER N N 109.469 0.300 1 1387 126 126 ASP H H 7.148 0.030 1 1388 126 126 ASP HA H 4.344 0.030 1 1389 126 126 ASP HB2 H 2.542 0.030 2 1390 126 126 ASP HB3 H 2.362 0.030 2 1391 126 126 ASP C C 178.562 0.300 1 1392 126 126 ASP CA C 57.526 0.300 1 1393 126 126 ASP CB C 40.989 0.300 1 1394 126 126 ASP N N 122.462 0.300 1 1395 127 127 PHE H H 7.522 0.030 1 1396 127 127 PHE HA H 4.201 0.030 1 1397 127 127 PHE HB2 H 2.997 0.030 2 1398 127 127 PHE HB3 H 2.856 0.030 2 1399 127 127 PHE HD1 H 6.738 0.030 1 1400 127 127 PHE HD2 H 6.738 0.030 1 1401 127 127 PHE HE1 H 6.798 0.030 1 1402 127 127 PHE HE2 H 6.798 0.030 1 1403 127 127 PHE HZ H 6.872 0.030 1 1404 127 127 PHE C C 178.316 0.300 1 1405 127 127 PHE CA C 61.434 0.300 1 1406 127 127 PHE CB C 41.124 0.300 1 1407 127 127 PHE CD1 C 131.699 0.300 1 1408 127 127 PHE CD2 C 131.699 0.300 1 1409 127 127 PHE CE1 C 130.461 0.300 1 1410 127 127 PHE CE2 C 130.461 0.300 1 1411 127 127 PHE CZ C 127.997 0.300 1 1412 127 127 PHE N N 118.550 0.300 1 1413 128 128 ILE H H 8.405 0.030 1 1414 128 128 ILE HA H 3.626 0.030 1 1415 128 128 ILE HB H 1.889 0.030 1 1416 128 128 ILE HD1 H 0.736 0.030 1 1417 128 128 ILE HG12 H 1.639 0.030 2 1418 128 128 ILE HG13 H 1.138 0.030 2 1419 128 128 ILE HG2 H 0.844 0.030 1 1420 128 128 ILE C C 178.381 0.300 1 1421 128 128 ILE CA C 64.800 0.300 1 1422 128 128 ILE CB C 37.168 0.300 1 1423 128 128 ILE CD1 C 11.922 0.300 1 1424 128 128 ILE CG1 C 28.837 0.300 1 1425 128 128 ILE CG2 C 16.666 0.300 1 1426 128 128 ILE N N 118.095 0.300 1 1427 129 129 SER H H 7.973 0.030 1 1428 129 129 SER HA H 4.233 0.030 1 1429 129 129 SER HB2 H 4.026 0.030 1 1430 129 129 SER HB3 H 4.026 0.030 1 1431 129 129 SER C C 176.849 0.300 1 1432 129 129 SER CA C 61.780 0.300 1 1433 129 129 SER CB C 62.780 0.300 1 1434 129 129 SER N N 114.719 0.300 1 1435 130 130 TYR H H 8.005 0.030 1 1436 130 130 TYR HA H 4.101 0.030 1 1437 130 130 TYR HB2 H 3.349 0.030 2 1438 130 130 TYR HB3 H 3.227 0.030 2 1439 130 130 TYR HD1 H 6.830 0.030 1 1440 130 130 TYR HD2 H 6.830 0.030 1 1441 130 130 TYR HE1 H 6.492 0.030 1 1442 130 130 TYR HE2 H 6.492 0.030 1 1443 130 130 TYR C C 177.087 0.300 1 1444 130 130 TYR CA C 61.995 0.300 1 1445 130 130 TYR CB C 39.207 0.300 1 1446 130 130 TYR CD1 C 133.155 0.300 1 1447 130 130 TYR CD2 C 133.155 0.300 1 1448 130 130 TYR CE1 C 118.235 0.300 1 1449 130 130 TYR CE2 C 118.235 0.300 1 1450 130 130 TYR N N 122.683 0.300 1 1451 131 131 LEU H H 8.445 0.030 1 1452 131 131 LEU HA H 3.549 0.030 1 1453 131 131 LEU HB2 H 1.965 0.030 2 1454 131 131 LEU HB3 H 1.272 0.030 2 1455 131 131 LEU HD1 H 0.815 0.030 1 1456 131 131 LEU HD2 H 0.683 0.030 1 1457 131 131 LEU HG H 1.994 0.030 1 1458 131 131 LEU C C 179.046 0.300 1 1459 131 131 LEU CA C 57.608 0.300 1 1460 131 131 LEU CB C 41.654 0.300 1 1461 131 131 LEU CD1 C 27.027 0.300 2 1462 131 131 LEU CD2 C 23.478 0.300 2 1463 131 131 LEU CG C 27.225 0.300 1 1464 131 131 LEU N N 118.494 0.300 1 1465 132 132 GLN H H 8.227 0.030 1 1466 132 132 GLN HA H 3.966 0.030 1 1467 132 132 GLN HB2 H 2.247 0.030 2 1468 132 132 GLN HB3 H 2.037 0.030 2 1469 132 132 GLN HE21 H 6.763 0.030 2 1470 132 132 GLN HE22 H 7.426 0.030 2 1471 132 132 GLN HG2 H 2.591 0.030 2 1472 132 132 GLN HG3 H 2.357 0.030 2 1473 132 132 GLN C C 178.051 0.300 1 1474 132 132 GLN CA C 58.846 0.300 1 1475 132 132 GLN CB C 28.183 0.300 1 1476 132 132 GLN CG C 34.326 0.300 1 1477 132 132 GLN N N 117.381 0.300 1 1478 132 132 GLN NE2 N 111.219 0.300 1 1479 133 133 ARG H H 7.369 0.030 1 1480 133 133 ARG HA H 4.182 0.030 1 1481 133 133 ARG HB2 H 1.882 0.030 2 1482 133 133 ARG HB3 H 1.814 0.030 2 1483 133 133 ARG HD2 H 3.230 0.030 2 1484 133 133 ARG HG2 H 1.737 0.030 2 1485 133 133 ARG HG3 H 1.495 0.030 2 1486 133 133 ARG C C 178.285 0.300 1 1487 133 133 ARG CA C 58.240 0.300 1 1488 133 133 ARG CB C 31.150 0.300 1 1489 133 133 ARG CD C 43.564 0.300 1 1490 133 133 ARG CG C 27.779 0.300 1 1491 133 133 ARG N N 117.119 0.300 1 1492 134 134 GLU H H 7.960 0.030 1 1493 134 134 GLU HA H 4.103 0.030 1 1494 134 134 GLU HB2 H 0.620 0.030 2 1495 134 134 GLU HB3 H 1.837 0.030 2 1496 134 134 GLU HG2 H 1.146 0.030 2 1497 134 134 GLU HG3 H 1.529 0.030 2 1498 134 134 GLU C C 176.944 0.300 1 1499 134 134 GLU CA C 56.522 0.300 1 1500 134 134 GLU CB C 30.385 0.300 1 1501 134 134 GLU CG C 34.232 0.300 1 1502 134 134 GLU N N 115.897 0.300 1 1503 135 135 ALA H H 7.977 0.030 1 1504 135 135 ALA HA H 4.437 0.030 1 1505 135 135 ALA HB H 1.514 0.030 1 1506 135 135 ALA C C 178.308 0.300 1 1507 135 135 ALA CA C 52.940 0.300 1 1508 135 135 ALA CB C 19.035 0.300 1 1509 135 135 ALA N N 121.440 0.300 1 1510 136 136 THR H H 9.918 0.030 1 1511 136 136 THR HA H 4.157 0.030 1 1512 136 136 THR HB H 4.316 0.030 1 1513 136 136 THR HG2 H 1.287 0.030 1 1514 136 136 THR C C 175.652 0.300 1 1515 136 136 THR CA C 64.323 0.300 1 1516 136 136 THR CB C 68.948 0.300 1 1517 136 136 THR CG2 C 21.966 0.300 1 1518 136 136 THR N N 119.186 0.300 1 1519 137 137 SER H H 8.477 0.030 1 1520 137 137 SER HA H 4.497 0.030 1 1521 137 137 SER HB2 H 3.854 0.030 1 1522 137 137 SER HB3 H 3.854 0.030 1 1523 137 137 SER C C 174.579 0.300 1 1524 137 137 SER CA C 58.332 0.300 1 1525 137 137 SER CB C 63.846 0.300 1 1526 137 137 SER N N 118.294 0.300 1 1527 138 138 GLY H H 8.208 0.030 1 1528 138 138 GLY HA2 H 4.164 0.030 2 1529 138 138 GLY HA3 H 4.024 0.030 2 1530 138 138 GLY C C 171.942 0.300 1 1531 138 138 GLY CA C 44.797 0.300 1 1532 138 138 GLY N N 110.680 0.300 1 1533 139 139 PRO HA H 4.496 0.030 1 1534 139 139 PRO HB2 H 2.269 0.030 2 1535 139 139 PRO HB3 H 1.959 0.030 2 1536 139 139 PRO HD2 H 3.623 0.030 1 1537 139 139 PRO HD3 H 3.623 0.030 1 1538 139 139 PRO HG2 H 2.014 0.030 2 1539 139 139 PRO C C 177.416 0.300 1 1540 139 139 PRO CA C 63.197 0.300 1 1541 139 139 PRO CB C 32.161 0.300 1 1542 139 139 PRO CD C 49.892 0.300 1 1543 139 139 PRO CG C 27.261 0.300 1 1544 140 140 SER H H 8.623 0.030 1 1545 140 140 SER C C 174.740 0.300 1 1546 140 140 SER CA C 58.358 0.300 1 1547 140 140 SER CB C 64.043 0.300 1 1548 140 140 SER N N 116.821 0.300 1 stop_ save_