data_10253 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of protein kinase C, D2 type from human ; _BMRB_accession_number 10253 _BMRB_flat_file_name bmr10253.str _Entry_type new _Submission_date 2008-11-20 _Accession_date 2008-11-20 _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 Li H. . . 2 Saito K. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 684 "13C chemical shifts" 498 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-20 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the PH domain of protein kinase C, D2 type from human' _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 Li H. . . 2 Saito K. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein kinase C, D2 type' _Enzyme_commission_number E.C.2.7.1.- loop_ _Mol_system_component_name _Mol_label 'PH 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 'PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; GSSGSSGTLREGWVVHYSNK DTLRKRHYWRLDCKCITLFQ NNTTNRYYKEIPLSEILTVE SAQNFSLVPPGTNPHCFEIV TANATYFVGEMPGGTPGGPS GQGAEAARGWETAIRQALMS GPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 LEU 10 ARG 11 GLU 12 GLY 13 TRP 14 VAL 15 VAL 16 HIS 17 TYR 18 SER 19 ASN 20 LYS 21 ASP 22 THR 23 LEU 24 ARG 25 LYS 26 ARG 27 HIS 28 TYR 29 TRP 30 ARG 31 LEU 32 ASP 33 CYS 34 LYS 35 CYS 36 ILE 37 THR 38 LEU 39 PHE 40 GLN 41 ASN 42 ASN 43 THR 44 THR 45 ASN 46 ARG 47 TYR 48 TYR 49 LYS 50 GLU 51 ILE 52 PRO 53 LEU 54 SER 55 GLU 56 ILE 57 LEU 58 THR 59 VAL 60 GLU 61 SER 62 ALA 63 GLN 64 ASN 65 PHE 66 SER 67 LEU 68 VAL 69 PRO 70 PRO 71 GLY 72 THR 73 ASN 74 PRO 75 HIS 76 CYS 77 PHE 78 GLU 79 ILE 80 VAL 81 THR 82 ALA 83 ASN 84 ALA 85 THR 86 TYR 87 PHE 88 VAL 89 GLY 90 GLU 91 MET 92 PRO 93 GLY 94 GLY 95 THR 96 PRO 97 GLY 98 GLY 99 PRO 100 SER 101 GLY 102 GLN 103 GLY 104 ALA 105 GLU 106 ALA 107 ALA 108 ARG 109 GLY 110 TRP 111 GLU 112 THR 113 ALA 114 ILE 115 ARG 116 GLN 117 ALA 118 LEU 119 MET 120 SER 121 GLY 122 PRO 123 SER 124 SER 125 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2COA "Solution Structure Of The Ph Domain Of Protein Kinase C, D2 Type From Human" 100.00 125 100.00 100.00 6.11e-87 DBJ BAC11127 "unnamed protein product [Homo sapiens]" 92.00 721 99.13 99.13 2.72e-74 DBJ BAC11508 "unnamed protein product [Homo sapiens]" 92.00 721 98.26 98.26 4.57e-73 DBJ BAG53158 "unnamed protein product [Homo sapiens]" 92.00 721 99.13 99.13 2.72e-74 DBJ BAG62084 "unnamed protein product [Homo sapiens]" 92.00 888 99.13 99.13 4.51e-73 DBJ BAG64637 "unnamed protein product [Homo sapiens]" 92.00 497 99.13 99.13 4.19e-76 EMBL CAB43292 "hypothetical protein [Homo sapiens]" 92.00 542 99.13 99.13 7.10e-76 GB AAI56074 "Protein kinase D2, partial [synthetic construct]" 92.00 878 99.13 99.13 2.25e-73 GB AAI56947 "Protein kinase D2 [synthetic construct]" 92.00 878 99.13 99.13 2.25e-73 GB AAK01149 "protein kinase D2 [Homo sapiens]" 92.00 878 99.13 99.13 2.25e-73 GB EAW57441 "protein kinase D2 [Homo sapiens]" 92.00 878 99.13 99.13 2.25e-73 GB EHH59714 "hypothetical protein EGM_09899 [Macaca fascicularis]" 92.00 707 98.26 98.26 2.16e-73 REF NP_001073349 "serine/threonine-protein kinase D2 isoform A [Homo sapiens]" 92.00 878 99.13 99.13 2.25e-73 REF NP_001073350 "serine/threonine-protein kinase D2 isoform A [Homo sapiens]" 92.00 878 99.13 99.13 2.25e-73 REF NP_001073351 "serine/threonine-protein kinase D2 isoform B [Homo sapiens]" 92.00 721 99.13 99.13 2.72e-74 REF NP_057541 "serine/threonine-protein kinase D2 isoform A [Homo sapiens]" 92.00 878 99.13 99.13 2.25e-73 REF XP_003915810 "PREDICTED: serine/threonine-protein kinase D2 [Papio anubis]" 92.00 878 97.39 98.26 1.07e-72 SP Q9BZL6 "RecName: Full=Serine/threonine-protein kinase D2; AltName: Full=nPKC-D2" 92.00 878 99.13 99.13 2.29e-73 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_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P041129-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.38 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.913 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 'PH 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 H H 8.337 0.030 1 2 6 6 SER HA H 4.597 0.030 1 3 6 6 SER HB2 H 3.936 0.030 1 4 6 6 SER HB3 H 3.936 0.030 1 5 6 6 SER C C 174.637 0.300 1 6 6 6 SER CA C 58.469 0.300 1 7 6 6 SER CB C 64.221 0.300 1 8 6 6 SER N N 117.887 0.300 1 9 7 7 GLY H H 8.280 0.030 1 10 7 7 GLY HA2 H 4.063 0.030 1 11 7 7 GLY HA3 H 4.063 0.030 1 12 7 7 GLY C C 173.724 0.300 1 13 7 7 GLY CA C 44.941 0.300 1 14 7 7 GLY N N 110.151 0.300 1 15 8 8 THR H H 8.212 0.030 1 16 8 8 THR HA H 4.173 0.030 1 17 8 8 THR HB H 4.100 0.030 1 18 8 8 THR HG2 H 1.252 0.030 1 19 8 8 THR C C 174.723 0.300 1 20 8 8 THR CA C 63.622 0.300 1 21 8 8 THR CB C 69.460 0.300 1 22 8 8 THR CG2 C 23.353 0.300 1 23 8 8 THR N N 116.817 0.300 1 24 9 9 LEU H H 9.374 0.030 1 25 9 9 LEU HA H 4.302 0.030 1 26 9 9 LEU HB2 H 1.392 0.030 2 27 9 9 LEU HB3 H 1.443 0.030 2 28 9 9 LEU HD1 H 0.783 0.030 1 29 9 9 LEU HD2 H 0.822 0.030 1 30 9 9 LEU HG H 1.713 0.030 1 31 9 9 LEU C C 177.468 0.300 1 32 9 9 LEU CA C 55.936 0.300 1 33 9 9 LEU CB C 42.843 0.300 1 34 9 9 LEU CD1 C 24.773 0.300 2 35 9 9 LEU CD2 C 22.443 0.300 2 36 9 9 LEU CG C 27.623 0.300 1 37 9 9 LEU N N 127.798 0.300 1 38 10 10 ARG H H 7.512 0.030 1 39 10 10 ARG HA H 4.199 0.030 1 40 10 10 ARG HB2 H 1.263 0.030 2 41 10 10 ARG HB3 H 0.694 0.030 2 42 10 10 ARG HD2 H 2.253 0.030 2 43 10 10 ARG HD3 H 1.093 0.030 2 44 10 10 ARG HG2 H 0.184 0.030 2 45 10 10 ARG HG3 H 1.052 0.030 2 46 10 10 ARG C C 172.501 0.300 1 47 10 10 ARG CA C 56.165 0.300 1 48 10 10 ARG CB C 32.442 0.300 1 49 10 10 ARG CD C 43.492 0.300 1 50 10 10 ARG CG C 28.116 0.300 1 51 10 10 ARG N N 117.979 0.300 1 52 11 11 GLU H H 8.434 0.030 1 53 11 11 GLU HA H 5.993 0.030 1 54 11 11 GLU HB2 H 2.253 0.030 2 55 11 11 GLU HB3 H 2.183 0.030 2 56 11 11 GLU HG2 H 2.220 0.030 1 57 11 11 GLU HG3 H 2.220 0.030 1 58 11 11 GLU C C 174.800 0.300 1 59 11 11 GLU CA C 54.570 0.300 1 60 11 11 GLU CB C 34.245 0.300 1 61 11 11 GLU CG C 35.149 0.300 1 62 11 11 GLU N N 120.782 0.300 1 63 12 12 GLY H H 8.131 0.030 1 64 12 12 GLY HA2 H 4.714 0.030 2 65 12 12 GLY HA3 H 3.763 0.030 2 66 12 12 GLY C C 171.060 0.300 1 67 12 12 GLY CA C 45.241 0.300 1 68 12 12 GLY N N 107.457 0.300 1 69 13 13 TRP H H 8.783 0.030 1 70 13 13 TRP HA H 5.152 0.030 1 71 13 13 TRP HB2 H 3.235 0.030 2 72 13 13 TRP HB3 H 3.055 0.030 2 73 13 13 TRP HD1 H 7.636 0.030 1 74 13 13 TRP HE1 H 10.443 0.030 1 75 13 13 TRP HE3 H 7.464 0.030 1 76 13 13 TRP HH2 H 7.403 0.030 1 77 13 13 TRP HZ2 H 7.576 0.030 1 78 13 13 TRP HZ3 H 7.145 0.030 1 79 13 13 TRP C C 177.528 0.300 1 80 13 13 TRP CA C 57.783 0.300 1 81 13 13 TRP CB C 30.222 0.300 1 82 13 13 TRP CD1 C 128.243 0.300 1 83 13 13 TRP CE3 C 120.630 0.300 1 84 13 13 TRP CH2 C 124.309 0.300 1 85 13 13 TRP CZ2 C 114.409 0.300 1 86 13 13 TRP CZ3 C 121.986 0.300 1 87 13 13 TRP N N 120.792 0.300 1 88 13 13 TRP NE1 N 129.971 0.300 1 89 14 14 VAL H H 9.179 0.030 1 90 14 14 VAL HA H 4.072 0.030 1 91 14 14 VAL HB H -0.619 0.030 1 92 14 14 VAL HG1 H -0.667 0.030 1 93 14 14 VAL HG2 H -0.756 0.030 1 94 14 14 VAL C C 174.981 0.300 1 95 14 14 VAL CA C 61.741 0.300 1 96 14 14 VAL CB C 35.143 0.300 1 97 14 14 VAL CG1 C 21.943 0.300 2 98 14 14 VAL CG2 C 20.763 0.300 2 99 14 14 VAL N N 125.476 0.300 1 100 15 15 VAL H H 8.403 0.030 1 101 15 15 VAL HA H 5.532 0.030 1 102 15 15 VAL HB H 1.870 0.030 1 103 15 15 VAL HG1 H 0.987 0.030 1 104 15 15 VAL HG2 H 0.959 0.030 1 105 15 15 VAL C C 175.078 0.300 1 106 15 15 VAL CA C 59.489 0.300 1 107 15 15 VAL CB C 34.210 0.300 1 108 15 15 VAL CG1 C 21.233 0.300 2 109 15 15 VAL CG2 C 20.880 0.300 2 110 15 15 VAL N N 126.189 0.300 1 111 16 16 HIS H H 9.122 0.030 1 112 16 16 HIS HA H 5.823 0.030 1 113 16 16 HIS HB2 H 3.113 0.030 2 114 16 16 HIS HB3 H 3.303 0.030 2 115 16 16 HIS HD2 H 6.680 0.030 1 116 16 16 HIS HE1 H 7.202 0.030 1 117 16 16 HIS C C 172.998 0.300 1 118 16 16 HIS CA C 56.253 0.300 1 119 16 16 HIS CB C 34.273 0.300 1 120 16 16 HIS CD2 C 118.359 0.300 1 121 16 16 HIS CE1 C 136.681 0.300 1 122 16 16 HIS N N 121.152 0.300 1 123 17 17 TYR H H 8.465 0.030 1 124 17 17 TYR HA H 5.096 0.030 1 125 17 17 TYR HB2 H 3.382 0.030 2 126 17 17 TYR HB3 H 2.502 0.030 2 127 17 17 TYR HD1 H 6.912 0.030 1 128 17 17 TYR HD2 H 6.912 0.030 1 129 17 17 TYR HE1 H 6.055 0.030 1 130 17 17 TYR HE2 H 6.055 0.030 1 131 17 17 TYR C C 173.640 0.300 1 132 17 17 TYR CA C 56.903 0.300 1 133 17 17 TYR CB C 40.103 0.300 1 134 17 17 TYR CD1 C 133.480 0.300 1 135 17 17 TYR CD2 C 133.480 0.300 1 136 17 17 TYR CE1 C 118.236 0.300 1 137 17 17 TYR CE2 C 118.236 0.300 1 138 17 17 TYR N N 115.558 0.300 1 139 18 18 SER H H 9.122 0.030 1 140 18 18 SER HA H 6.144 0.030 1 141 18 18 SER HB2 H 4.089 0.030 2 142 18 18 SER HB3 H 3.913 0.030 2 143 18 18 SER C C 173.204 0.300 1 144 18 18 SER CA C 56.640 0.300 1 145 18 18 SER CB C 68.788 0.300 1 146 18 18 SER N N 118.846 0.300 1 147 19 19 ASN H H 9.053 0.030 1 148 19 19 ASN HA H 4.473 0.030 1 149 19 19 ASN HB2 H 3.133 0.030 2 150 19 19 ASN HB3 H 2.741 0.030 2 151 19 19 ASN HD21 H 7.804 0.030 2 152 19 19 ASN HD22 H 7.332 0.030 2 153 19 19 ASN C C 175.396 0.300 1 154 19 19 ASN CA C 55.373 0.300 1 155 19 19 ASN CB C 36.900 0.300 1 156 19 19 ASN N N 113.712 0.300 1 157 19 19 ASN ND2 N 115.382 0.300 1 158 20 20 LYS H H 7.677 0.030 1 159 20 20 LYS HA H 4.413 0.030 1 160 20 20 LYS HB2 H 1.983 0.030 2 161 20 20 LYS HB3 H 1.632 0.030 2 162 20 20 LYS HD2 H 1.673 0.030 1 163 20 20 LYS HD3 H 1.673 0.030 1 164 20 20 LYS HE2 H 3.052 0.030 1 165 20 20 LYS HE3 H 3.052 0.030 1 166 20 20 LYS HG2 H 1.415 0.030 2 167 20 20 LYS HG3 H 1.552 0.030 2 168 20 20 LYS C C 176.078 0.300 1 169 20 20 LYS CA C 55.679 0.300 1 170 20 20 LYS CB C 33.023 0.300 1 171 20 20 LYS CD C 28.303 0.300 1 172 20 20 LYS CE C 42.223 0.300 1 173 20 20 LYS CG C 24.622 0.300 1 174 20 20 LYS N N 117.213 0.300 1 175 21 21 ASP H H 7.395 0.030 1 176 21 21 ASP HA H 4.808 0.030 1 177 21 21 ASP HB2 H 2.834 0.030 2 178 21 21 ASP HB3 H 2.695 0.030 2 179 21 21 ASP C C 176.413 0.300 1 180 21 21 ASP CA C 53.983 0.300 1 181 21 21 ASP CB C 41.199 0.300 1 182 21 21 ASP N N 119.879 0.300 1 183 22 22 THR H H 8.593 0.030 1 184 22 22 THR HA H 4.352 0.030 1 185 22 22 THR HB H 4.203 0.030 1 186 22 22 THR HG2 H 1.222 0.030 1 187 22 22 THR C C 172.913 0.300 1 188 22 22 THR CA C 62.691 0.300 1 189 22 22 THR CB C 68.332 0.300 1 190 22 22 THR CG2 C 22.031 0.300 1 191 22 22 THR N N 116.299 0.300 1 192 23 23 LEU H H 7.645 0.030 1 193 23 23 LEU HA H 4.318 0.030 1 194 23 23 LEU HB2 H 1.663 0.030 2 195 23 23 LEU HB3 H 1.563 0.030 2 196 23 23 LEU HD1 H 0.955 0.030 1 197 23 23 LEU HD2 H 0.894 0.030 1 198 23 23 LEU HG H 1.535 0.030 1 199 23 23 LEU C C 176.692 0.300 1 200 23 23 LEU CA C 54.617 0.300 1 201 23 23 LEU CB C 41.939 0.300 1 202 23 23 LEU CD1 C 24.227 0.300 2 203 23 23 LEU CD2 C 25.003 0.300 2 204 23 23 LEU CG C 26.880 0.300 1 205 23 23 LEU N N 123.606 0.300 1 206 24 24 ARG H H 8.563 0.030 1 207 24 24 ARG HA H 4.373 0.030 1 208 24 24 ARG HB2 H 1.753 0.030 2 209 24 24 ARG HB3 H 1.575 0.030 2 210 24 24 ARG HD2 H 2.992 0.030 2 211 24 24 ARG HD3 H 3.401 0.030 2 212 24 24 ARG HE H 7.604 0.030 1 213 24 24 ARG HG2 H 1.493 0.030 2 214 24 24 ARG HG3 H 1.865 0.030 2 215 24 24 ARG C C 176.584 0.300 1 216 24 24 ARG CA C 57.854 0.300 1 217 24 24 ARG CB C 31.126 0.300 1 218 24 24 ARG CD C 43.903 0.300 1 219 24 24 ARG CG C 31.843 0.300 1 220 24 24 ARG N N 127.152 0.300 1 221 24 24 ARG NE N 86.132 0.300 1 222 25 25 LYS H H 8.633 0.030 1 223 25 25 LYS HA H 4.513 0.030 1 224 25 25 LYS HB2 H 1.398 0.030 1 225 25 25 LYS HB3 H 1.398 0.030 1 226 25 25 LYS HD2 H 1.586 0.030 2 227 25 25 LYS HD3 H 1.712 0.030 2 228 25 25 LYS HE2 H 3.031 0.030 2 229 25 25 LYS HG2 H 1.444 0.030 2 230 25 25 LYS HG3 H 1.352 0.030 2 231 25 25 LYS C C 173.567 0.300 1 232 25 25 LYS CA C 54.792 0.300 1 233 25 25 LYS CB C 37.416 0.300 1 234 25 25 LYS CD C 29.253 0.300 1 235 25 25 LYS CE C 42.341 0.300 1 236 25 25 LYS CG C 24.536 0.300 1 237 25 25 LYS N N 122.682 0.300 1 238 26 26 ARG H H 8.303 0.030 1 239 26 26 ARG HA H 5.153 0.030 1 240 26 26 ARG HB2 H 1.589 0.030 2 241 26 26 ARG HB3 H 1.821 0.030 2 242 26 26 ARG HD2 H 2.971 0.030 1 243 26 26 ARG HD3 H 2.971 0.030 1 244 26 26 ARG HG2 H 1.523 0.030 2 245 26 26 ARG HG3 H 1.653 0.030 2 246 26 26 ARG C C 174.554 0.300 1 247 26 26 ARG CA C 55.083 0.300 1 248 26 26 ARG CB C 32.789 0.300 1 249 26 26 ARG CD C 43.315 0.300 1 250 26 26 ARG CG C 28.621 0.300 1 251 26 26 ARG N N 121.819 0.300 1 252 27 27 HIS H H 8.793 0.030 1 253 27 27 HIS HA H 5.155 0.030 1 254 27 27 HIS HB2 H 3.153 0.030 2 255 27 27 HIS HB3 H 3.720 0.030 2 256 27 27 HIS HD2 H 6.884 0.030 1 257 27 27 HIS HE1 H 7.553 0.030 1 258 27 27 HIS CA C 56.904 0.300 1 259 27 27 HIS CB C 34.683 0.300 1 260 27 27 HIS CD2 C 122.016 0.300 1 261 27 27 HIS CE1 C 138.642 0.300 1 262 27 27 HIS N N 122.102 0.300 1 263 28 28 TYR H H 9.273 0.030 1 264 28 28 TYR HA H 4.332 0.030 1 265 28 28 TYR HB2 H 1.003 0.030 2 266 28 28 TYR HB3 H 2.474 0.030 2 267 28 28 TYR HD1 H 5.542 0.030 1 268 28 28 TYR HD2 H 5.542 0.030 1 269 28 28 TYR HE1 H 6.475 0.030 1 270 28 28 TYR HE2 H 6.475 0.030 1 271 28 28 TYR C C 174.730 0.300 1 272 28 28 TYR CA C 58.680 0.300 1 273 28 28 TYR CB C 38.673 0.300 1 274 28 28 TYR CD1 C 132.285 0.300 1 275 28 28 TYR CD2 C 132.285 0.300 1 276 28 28 TYR CE1 C 117.607 0.300 1 277 28 28 TYR CE2 C 117.607 0.300 1 278 28 28 TYR N N 125.605 0.300 1 279 29 29 TRP H H 9.273 0.030 1 280 29 29 TRP HA H 5.543 0.030 1 281 29 29 TRP HB2 H 2.783 0.030 2 282 29 29 TRP HB3 H 2.433 0.030 2 283 29 29 TRP HD1 H 6.884 0.030 1 284 29 29 TRP HE1 H 10.763 0.030 1 285 29 29 TRP HE3 H 6.362 0.030 1 286 29 29 TRP HH2 H 6.326 0.030 1 287 29 29 TRP HZ2 H 6.472 0.030 1 288 29 29 TRP HZ3 H 6.414 0.030 1 289 29 29 TRP C C 176.172 0.300 1 290 29 29 TRP CA C 56.658 0.300 1 291 29 29 TRP CB C 32.154 0.300 1 292 29 29 TRP CD1 C 122.016 0.300 1 293 29 29 TRP CE3 C 121.329 0.300 1 294 29 29 TRP CH2 C 123.358 0.300 1 295 29 29 TRP CZ2 C 112.469 0.300 1 296 29 29 TRP CZ3 C 118.713 0.300 1 297 29 29 TRP N N 131.340 0.300 1 298 30 30 ARG H H 9.164 0.030 1 299 30 30 ARG HA H 5.302 0.030 1 300 30 30 ARG HB2 H 1.851 0.030 2 301 30 30 ARG HB3 H 2.103 0.030 2 302 30 30 ARG HD2 H 3.184 0.030 2 303 30 30 ARG HD3 H 3.094 0.030 2 304 30 30 ARG HE H 7.273 0.030 1 305 30 30 ARG HG2 H 1.653 0.030 2 306 30 30 ARG HG3 H 1.873 0.030 2 307 30 30 ARG C C 174.774 0.300 1 308 30 30 ARG CA C 56.271 0.300 1 309 30 30 ARG CB C 34.203 0.300 1 310 30 30 ARG CD C 43.489 0.300 1 311 30 30 ARG CG C 29.253 0.300 1 312 30 30 ARG N N 116.040 0.300 1 313 30 30 ARG NE N 84.885 0.300 1 314 31 31 LEU H H 9.273 0.030 1 315 31 31 LEU HA H 5.324 0.030 1 316 31 31 LEU HB2 H 2.040 0.030 2 317 31 31 LEU HB3 H 1.712 0.030 2 318 31 31 LEU HD1 H 1.097 0.030 1 319 31 31 LEU HD2 H 0.743 0.030 1 320 31 31 LEU HG H 1.623 0.030 1 321 31 31 LEU C C 174.488 0.300 1 322 31 31 LEU CA C 53.807 0.300 1 323 31 31 LEU CB C 46.667 0.300 1 324 31 31 LEU CD1 C 25.243 0.300 2 325 31 31 LEU CD2 C 27.133 0.300 2 326 31 31 LEU CG C 27.833 0.300 1 327 31 31 LEU N N 127.075 0.300 1 328 32 32 ASP H H 8.854 0.030 1 329 32 32 ASP HA H 4.902 0.030 1 330 32 32 ASP HB2 H 3.253 0.030 2 331 32 32 ASP HB3 H 2.673 0.030 2 332 32 32 ASP C C 173.474 0.300 1 333 32 32 ASP CA C 53.104 0.300 1 334 32 32 ASP CB C 42.931 0.300 1 335 32 32 ASP N N 129.349 0.300 1 336 33 33 CYS H H 8.153 0.030 1 337 33 33 CYS HA H 4.323 0.030 1 338 33 33 CYS HB2 H 3.143 0.030 2 339 33 33 CYS HB3 H 3.023 0.030 2 340 33 33 CYS C C 174.476 0.300 1 341 33 33 CYS CA C 59.853 0.300 1 342 33 33 CYS CB C 27.508 0.300 1 343 33 33 CYS N N 108.439 0.300 1 344 34 34 LYS H H 9.144 0.030 1 345 34 34 LYS HA H 4.616 0.030 1 346 34 34 LYS HB2 H 1.933 0.030 1 347 34 34 LYS HB3 H 1.933 0.030 1 348 34 34 LYS HD2 H 1.693 0.030 1 349 34 34 LYS HD3 H 1.693 0.030 1 350 34 34 LYS HE2 H 2.985 0.030 1 351 34 34 LYS HE3 H 2.985 0.030 1 352 34 34 LYS HG2 H 1.474 0.030 2 353 34 34 LYS HG3 H 1.524 0.030 2 354 34 34 LYS C C 177.601 0.300 1 355 34 34 LYS CA C 57.185 0.300 1 356 34 34 LYS CB C 35.623 0.300 1 357 34 34 LYS CD C 29.103 0.300 1 358 34 34 LYS CE C 42.176 0.300 1 359 34 34 LYS CG C 25.003 0.300 1 360 34 34 LYS N N 119.884 0.300 1 361 35 35 CYS H H 9.102 0.030 1 362 35 35 CYS HA H 4.935 0.030 1 363 35 35 CYS HB2 H 2.933 0.030 2 364 35 35 CYS HB3 H 2.413 0.030 2 365 35 35 CYS C C 172.283 0.300 1 366 35 35 CYS CA C 57.748 0.300 1 367 35 35 CYS CB C 31.537 0.300 1 368 35 35 CYS N N 120.317 0.300 1 369 36 36 ILE H H 8.213 0.030 1 370 36 36 ILE HA H 4.617 0.030 1 371 36 36 ILE HB H 1.283 0.030 1 372 36 36 ILE HD1 H 0.753 0.030 1 373 36 36 ILE HG12 H 0.890 0.030 2 374 36 36 ILE HG13 H 1.722 0.030 2 375 36 36 ILE HG2 H 0.194 0.030 1 376 36 36 ILE C C 175.312 0.300 1 377 36 36 ILE CA C 60.967 0.300 1 378 36 36 ILE CB C 39.718 0.300 1 379 36 36 ILE CD1 C 14.714 0.300 1 380 36 36 ILE CG1 C 28.795 0.300 1 381 36 36 ILE CG2 C 19.113 0.300 1 382 36 36 ILE N N 121.905 0.300 1 383 37 37 THR H H 9.076 0.030 1 384 37 37 THR HA H 4.364 0.030 1 385 37 37 THR HB H 3.663 0.030 1 386 37 37 THR HG2 H 0.241 0.030 1 387 37 37 THR CA C 61.834 0.300 1 388 37 37 THR CB C 69.237 0.300 1 389 37 37 THR CG2 C 23.444 0.300 1 390 37 37 THR N N 122.500 0.300 1 391 38 38 LEU H H 8.263 0.030 1 392 38 38 LEU HA H 4.445 0.030 1 393 38 38 LEU HB2 H 1.080 0.030 1 394 38 38 LEU HB3 H 1.080 0.030 1 395 38 38 LEU HD1 H -0.562 0.030 1 396 38 38 LEU HD2 H 0.064 0.030 1 397 38 38 LEU HG H 0.144 0.030 1 398 38 38 LEU CA C 55.611 0.300 1 399 38 38 LEU CB C 42.702 0.300 1 400 38 38 LEU CD1 C 22.795 0.300 2 401 38 38 LEU CD2 C 26.883 0.300 2 402 38 38 LEU CG C 29.317 0.300 1 403 38 38 LEU N N 126.987 0.300 1 404 39 39 PHE H H 9.520 0.030 1 405 39 39 PHE HA H 4.998 0.030 1 406 39 39 PHE HB2 H 3.438 0.030 2 407 39 39 PHE HB3 H 3.603 0.030 2 408 39 39 PHE HD1 H 7.554 0.030 1 409 39 39 PHE HD2 H 7.554 0.030 1 410 39 39 PHE HE1 H 7.360 0.030 1 411 39 39 PHE HE2 H 7.360 0.030 1 412 39 39 PHE HZ H 7.492 0.030 1 413 39 39 PHE CA C 57.331 0.300 1 414 39 39 PHE CB C 42.453 0.300 1 415 39 39 PHE CD1 C 133.714 0.300 1 416 39 39 PHE CD2 C 133.714 0.300 1 417 39 39 PHE CE1 C 130.944 0.300 1 418 39 39 PHE CE2 C 130.944 0.300 1 419 39 39 PHE CZ C 130.914 0.300 1 420 39 39 PHE N N 120.545 0.300 1 421 40 40 GLN H H 9.878 0.030 1 422 40 40 GLN HA H 4.376 0.030 1 423 40 40 GLN HB2 H 2.273 0.030 1 424 40 40 GLN HB3 H 2.273 0.030 1 425 40 40 GLN HE21 H 7.493 0.030 2 426 40 40 GLN HE22 H 6.899 0.030 2 427 40 40 GLN HG2 H 2.518 0.030 2 428 40 40 GLN HG3 H 2.563 0.030 2 429 40 40 GLN CA C 59.513 0.300 1 430 40 40 GLN CB C 29.317 0.300 1 431 40 40 GLN CG C 33.857 0.300 1 432 40 40 GLN NE2 N 111.399 0.300 1 433 41 41 ASN H H 7.732 0.030 1 434 41 41 ASN HA H 4.812 0.030 1 435 41 41 ASN HB2 H 3.313 0.030 2 436 41 41 ASN HB3 H 3.499 0.030 2 437 41 41 ASN HD21 H 7.103 0.030 2 438 41 41 ASN HD22 H 7.993 0.030 2 439 41 41 ASN CA C 52.618 0.300 1 440 41 41 ASN CB C 39.362 0.300 1 441 41 41 ASN N N 107.613 0.300 1 442 41 41 ASN ND2 N 115.832 0.300 1 443 42 42 ASN HA H 3.476 0.030 1 444 42 42 ASN HB2 H 0.924 0.030 2 445 42 42 ASN HB3 H 2.093 0.030 2 446 42 42 ASN HD21 H 7.503 0.030 2 447 42 42 ASN HD22 H 7.095 0.030 2 448 42 42 ASN C C 173.607 0.300 1 449 42 42 ASN CA C 54.888 0.300 1 450 42 42 ASN CB C 35.613 0.300 1 451 42 42 ASN ND2 N 114.602 0.300 1 452 43 43 THR H H 8.394 0.030 1 453 43 43 THR HA H 4.403 0.030 1 454 43 43 THR HB H 4.192 0.030 1 455 43 43 THR HG2 H 1.049 0.030 1 456 43 43 THR C C 174.464 0.300 1 457 43 43 THR CA C 61.978 0.300 1 458 43 43 THR CB C 70.036 0.300 1 459 43 43 THR CG2 C 21.233 0.300 1 460 43 43 THR N N 111.795 0.300 1 461 44 44 THR H H 8.058 0.030 1 462 44 44 THR HA H 4.464 0.030 1 463 44 44 THR HB H 4.439 0.030 1 464 44 44 THR HG2 H 1.519 0.030 1 465 44 44 THR CA C 61.599 0.300 1 466 44 44 THR CB C 69.137 0.300 1 467 44 44 THR CG2 C 20.797 0.300 1 468 44 44 THR N N 116.514 0.300 1 469 45 45 ASN H H 6.653 0.030 1 470 45 45 ASN HA H 4.945 0.030 1 471 45 45 ASN HB2 H 3.033 0.030 2 472 45 45 ASN HB3 H 2.943 0.030 2 473 45 45 ASN HD21 H 7.603 0.030 2 474 45 45 ASN HD22 H 6.894 0.030 2 475 45 45 ASN CA C 53.227 0.300 1 476 45 45 ASN CB C 38.483 0.300 1 477 45 45 ASN ND2 N 111.932 0.300 1 478 46 46 ARG H H 8.213 0.030 1 479 46 46 ARG HA H 4.583 0.030 1 480 46 46 ARG HB2 H 1.771 0.030 2 481 46 46 ARG HB3 H 1.820 0.030 2 482 46 46 ARG HD2 H 3.192 0.030 1 483 46 46 ARG HD3 H 3.192 0.030 1 484 46 46 ARG HG2 H 1.665 0.030 2 485 46 46 ARG HG3 H 1.582 0.030 2 486 46 46 ARG CA C 55.487 0.300 1 487 46 46 ARG CB C 31.153 0.300 1 488 46 46 ARG CD C 43.315 0.300 1 489 46 46 ARG CG C 26.853 0.300 1 490 46 46 ARG N N 121.652 0.300 1 491 47 47 TYR H H 7.973 0.030 1 492 47 47 TYR HB2 H 1.893 0.030 2 493 47 47 TYR HB3 H 2.472 0.030 2 494 47 47 TYR HD1 H 6.615 0.030 1 495 47 47 TYR HD2 H 6.615 0.030 1 496 47 47 TYR HE1 H 6.680 0.030 1 497 47 47 TYR HE2 H 6.680 0.030 1 498 47 47 TYR CB C 39.356 0.300 1 499 47 47 TYR CD1 C 133.407 0.300 1 500 47 47 TYR CD2 C 133.407 0.300 1 501 47 47 TYR CE1 C 118.359 0.300 1 502 47 47 TYR CE2 C 118.359 0.300 1 503 48 48 TYR H H 9.023 0.030 1 504 48 48 TYR HA H 4.662 0.030 1 505 48 48 TYR HB2 H 2.343 0.030 2 506 48 48 TYR HB3 H 3.258 0.030 2 507 48 48 TYR HD1 H 6.783 0.030 1 508 48 48 TYR HD2 H 6.783 0.030 1 509 48 48 TYR HE1 H 6.686 0.030 1 510 48 48 TYR HE2 H 6.686 0.030 1 511 48 48 TYR CB C 39.863 0.300 1 512 48 48 TYR CD1 C 133.606 0.300 1 513 48 48 TYR CD2 C 133.606 0.300 1 514 48 48 TYR CE1 C 117.802 0.300 1 515 48 48 TYR CE2 C 117.802 0.300 1 516 48 48 TYR N N 121.223 0.300 1 517 49 49 LYS H H 7.134 0.030 1 518 49 49 LYS HA H 4.283 0.030 1 519 49 49 LYS HB2 H 1.193 0.030 2 520 49 49 LYS HB3 H 1.072 0.030 2 521 49 49 LYS HD2 H 1.523 0.030 2 522 49 49 LYS HD3 H 1.313 0.030 2 523 49 49 LYS HE2 H 2.774 0.030 2 524 49 49 LYS HE3 H 2.873 0.030 2 525 49 49 LYS HG2 H 0.913 0.030 1 526 49 49 LYS HG3 H 0.913 0.030 1 527 49 49 LYS CA C 55.167 0.300 1 528 49 49 LYS CB C 36.699 0.300 1 529 49 49 LYS CD C 28.445 0.300 1 530 49 49 LYS CE C 41.354 0.300 1 531 49 49 LYS CG C 24.005 0.300 1 532 49 49 LYS N N 117.339 0.300 1 533 50 50 GLU H H 8.411 0.030 1 534 50 50 GLU HA H 4.583 0.030 1 535 50 50 GLU HB2 H 1.552 0.030 2 536 50 50 GLU HB3 H 1.426 0.030 2 537 50 50 GLU HG2 H 1.626 0.030 2 538 50 50 GLU HG3 H 1.573 0.030 2 539 50 50 GLU CA C 54.592 0.300 1 540 50 50 GLU CB C 33.263 0.300 1 541 50 50 GLU CG C 36.585 0.300 1 542 50 50 GLU N N 123.825 0.300 1 543 51 51 ILE H H 9.225 0.030 1 544 51 51 ILE HA H 4.277 0.030 1 545 51 51 ILE HB H 1.442 0.030 1 546 51 51 ILE HD1 H -0.427 0.030 1 547 51 51 ILE HG12 H 0.733 0.030 2 548 51 51 ILE HG13 H 0.393 0.030 2 549 51 51 ILE HG2 H 0.521 0.030 1 550 51 51 ILE CA C 58.182 0.300 1 551 51 51 ILE CB C 39.663 0.300 1 552 51 51 ILE CD1 C 12.240 0.300 1 553 51 51 ILE CG1 C 25.953 0.300 1 554 51 51 ILE CG2 C 16.425 0.300 1 555 51 51 ILE N N 125.271 0.300 1 556 52 52 PRO HA H 4.543 0.030 1 557 52 52 PRO HB2 H 2.425 0.030 2 558 52 52 PRO HB3 H 1.863 0.030 2 559 52 52 PRO HD2 H 3.653 0.030 2 560 52 52 PRO HD3 H 3.544 0.030 2 561 52 52 PRO HG2 H 2.054 0.030 2 562 52 52 PRO HG3 H 1.854 0.030 2 563 52 52 PRO C C 178.340 0.300 1 564 52 52 PRO CA C 62.726 0.300 1 565 52 52 PRO CB C 32.003 0.300 1 566 52 52 PRO CD C 51.243 0.300 1 567 52 52 PRO CG C 28.116 0.300 1 568 53 53 LEU H H 8.723 0.030 1 569 53 53 LEU HA H 3.891 0.030 1 570 53 53 LEU HB2 H 1.653 0.030 2 571 53 53 LEU HB3 H 1.482 0.030 2 572 53 53 LEU HD1 H 0.815 0.030 1 573 53 53 LEU HD2 H 0.752 0.030 1 574 53 53 LEU HG H 1.364 0.030 1 575 53 53 LEU C C 179.673 0.300 1 576 53 53 LEU CA C 58.205 0.300 1 577 53 53 LEU CB C 40.171 0.300 1 578 53 53 LEU CD1 C 25.978 0.300 2 579 53 53 LEU CD2 C 22.413 0.300 2 580 53 53 LEU CG C 27.875 0.300 1 581 53 53 LEU N N 125.150 0.300 1 582 54 54 SER H H 8.360 0.030 1 583 54 54 SER HA H 4.164 0.030 1 584 54 54 SER HB2 H 4.043 0.030 2 585 54 54 SER HB3 H 3.864 0.030 2 586 54 54 SER C C 175.517 0.300 1 587 54 54 SER CA C 60.193 0.300 1 588 54 54 SER CB C 62.617 0.300 1 589 54 54 SER N N 111.266 0.300 1 590 55 55 GLU H H 7.666 0.030 1 591 55 55 GLU HA H 4.363 0.030 1 592 55 55 GLU HB2 H 2.322 0.030 2 593 55 55 GLU HB3 H 2.043 0.030 2 594 55 55 GLU HG2 H 2.313 0.030 1 595 55 55 GLU HG3 H 2.313 0.030 1 596 55 55 GLU C C 176.753 0.300 1 597 55 55 GLU CA C 56.200 0.300 1 598 55 55 GLU CB C 30.526 0.300 1 599 55 55 GLU CG C 37.160 0.300 1 600 55 55 GLU N N 119.485 0.300 1 601 56 56 ILE H H 7.601 0.030 1 602 56 56 ILE HA H 3.793 0.030 1 603 56 56 ILE HB H 2.091 0.030 1 604 56 56 ILE HD1 H 0.783 0.030 1 605 56 56 ILE HG12 H 0.485 0.030 2 606 56 56 ILE HG13 H 1.883 0.030 2 607 56 56 ILE HG2 H 0.743 0.030 1 608 56 56 ILE C C 175.142 0.300 1 609 56 56 ILE CA C 63.518 0.300 1 610 56 56 ILE CB C 37.169 0.300 1 611 56 56 ILE CD1 C 14.303 0.300 1 612 56 56 ILE CG1 C 27.404 0.300 1 613 56 56 ILE CG2 C 17.933 0.300 1 614 56 56 ILE N N 120.430 0.300 1 615 57 57 LEU H H 9.263 0.030 1 616 57 57 LEU HA H 4.343 0.030 1 617 57 57 LEU HB2 H 1.553 0.030 1 618 57 57 LEU HB3 H 1.553 0.030 1 619 57 57 LEU HD1 H 0.811 0.030 1 620 57 57 LEU HD2 H 0.853 0.030 1 621 57 57 LEU HG H 1.693 0.030 1 622 57 57 LEU C C 177.898 0.300 1 623 57 57 LEU CA C 56.569 0.300 1 624 57 57 LEU CB C 41.980 0.300 1 625 57 57 LEU CD1 C 25.320 0.300 2 626 57 57 LEU CD2 C 22.525 0.300 2 627 57 57 LEU CG C 27.623 0.300 1 628 57 57 LEU N N 129.464 0.300 1 629 58 58 THR H H 7.414 0.030 1 630 58 58 THR HA H 4.512 0.030 1 631 58 58 THR HB H 4.203 0.030 1 632 58 58 THR HG2 H 1.093 0.030 1 633 58 58 THR C C 171.314 0.300 1 634 58 58 THR CA C 60.562 0.300 1 635 58 58 THR CB C 70.803 0.300 1 636 58 58 THR CG2 C 21.209 0.300 1 637 58 58 THR N N 109.129 0.300 1 638 59 59 VAL H H 8.152 0.030 1 639 59 59 VAL HA H 5.061 0.030 1 640 59 59 VAL HB H 1.893 0.030 1 641 59 59 VAL HG1 H 0.990 0.030 1 642 59 59 VAL HG2 H 0.983 0.030 1 643 59 59 VAL C C 174.985 0.300 1 644 59 59 VAL CA C 61.354 0.300 1 645 59 59 VAL CB C 33.855 0.300 1 646 59 59 VAL CG1 C 21.703 0.300 2 647 59 59 VAL CG2 C 22.643 0.300 2 648 59 59 VAL N N 123.676 0.300 1 649 60 60 GLU H H 9.074 0.030 1 650 60 60 GLU HA H 4.977 0.030 1 651 60 60 GLU HB2 H 2.203 0.030 2 652 60 60 GLU HB3 H 1.743 0.030 2 653 60 60 GLU HG2 H 2.343 0.030 2 654 60 60 GLU HG3 H 2.166 0.030 2 655 60 60 GLU C C 176.063 0.300 1 656 60 60 GLU CA C 53.807 0.300 1 657 60 60 GLU CB C 33.739 0.300 1 658 60 60 GLU CG C 35.149 0.300 1 659 60 60 GLU N N 125.125 0.300 1 660 61 61 SER H H 8.763 0.030 1 661 61 61 SER HA H 4.452 0.030 1 662 61 61 SER HB2 H 4.052 0.030 2 663 61 61 SER HB3 H 3.913 0.030 2 664 61 61 SER C C 173.288 0.300 1 665 61 61 SER CA C 59.384 0.300 1 666 61 61 SER CB C 63.390 0.300 1 667 61 61 SER N N 117.523 0.300 1 668 62 62 ALA H H 7.293 0.030 1 669 62 62 ALA HA H 3.817 0.030 1 670 62 62 ALA HB H 0.652 0.030 1 671 62 62 ALA C C 176.717 0.300 1 672 62 62 ALA CA C 53.966 0.300 1 673 62 62 ALA CB C 18.640 0.300 1 674 62 62 ALA N N 122.650 0.300 1 675 63 63 GLN H H 8.736 0.030 1 676 63 63 GLN HA H 4.445 0.030 1 677 63 63 GLN HB2 H 2.055 0.030 1 678 63 63 GLN HB3 H 2.055 0.030 1 679 63 63 GLN HE21 H 6.839 0.030 2 680 63 63 GLN HE22 H 7.773 0.030 2 681 63 63 GLN HG2 H 2.374 0.030 2 682 63 63 GLN HG3 H 2.328 0.030 2 683 63 63 GLN C C 173.700 0.300 1 684 63 63 GLN CA C 56.376 0.300 1 685 63 63 GLN CB C 31.515 0.300 1 686 63 63 GLN CG C 32.885 0.300 1 687 63 63 GLN N N 120.251 0.300 1 688 63 63 GLN NE2 N 112.930 0.300 1 689 64 64 ASN H H 9.272 0.030 1 690 64 64 ASN HA H 4.906 0.030 1 691 64 64 ASN HB2 H 3.311 0.030 2 692 64 64 ASN HB3 H 2.893 0.030 2 693 64 64 ASN HD21 H 8.087 0.030 2 694 64 64 ASN HD22 H 6.889 0.030 2 695 64 64 ASN C C 174.754 0.300 1 696 64 64 ASN CA C 51.837 0.300 1 697 64 64 ASN CB C 38.156 0.300 1 698 64 64 ASN N N 122.346 0.300 1 699 64 64 ASN ND2 N 110.842 0.300 1 700 65 65 PHE H H 8.854 0.030 1 701 65 65 PHE HA H 4.947 0.030 1 702 65 65 PHE HB2 H 3.563 0.030 2 703 65 65 PHE HB3 H 2.733 0.030 2 704 65 65 PHE HD1 H 7.333 0.030 1 705 65 65 PHE HD2 H 7.333 0.030 1 706 65 65 PHE HE1 H 7.086 0.030 1 707 65 65 PHE HE2 H 7.086 0.030 1 708 65 65 PHE HZ H 6.964 0.030 1 709 65 65 PHE C C 177.274 0.300 1 710 65 65 PHE CA C 57.519 0.300 1 711 65 65 PHE CB C 38.485 0.300 1 712 65 65 PHE CD1 C 132.185 0.300 1 713 65 65 PHE CD2 C 132.185 0.300 1 714 65 65 PHE CE1 C 131.149 0.300 1 715 65 65 PHE CE2 C 131.149 0.300 1 716 65 65 PHE CZ C 129.440 0.300 1 717 65 65 PHE N N 123.638 0.300 1 718 66 66 SER H H 8.163 0.030 1 719 66 66 SER HA H 4.393 0.030 1 720 66 66 SER HB2 H 4.063 0.030 1 721 66 66 SER HB3 H 4.063 0.030 1 722 66 66 SER C C 175.699 0.300 1 723 66 66 SER CA C 60.791 0.300 1 724 66 66 SER CB C 64.591 0.300 1 725 66 66 SER N N 113.913 0.300 1 726 67 67 LEU H H 8.574 0.030 1 727 67 67 LEU HA H 4.302 0.030 1 728 67 67 LEU HB2 H 1.473 0.030 2 729 67 67 LEU HB3 H 1.542 0.030 2 730 67 67 LEU HD1 H 0.788 0.030 1 731 67 67 LEU HD2 H 0.823 0.030 1 732 67 67 LEU HG H 1.532 0.030 1 733 67 67 LEU C C 176.269 0.300 1 734 67 67 LEU CA C 55.601 0.300 1 735 67 67 LEU CB C 42.021 0.300 1 736 67 67 LEU CD1 C 26.183 0.300 2 737 67 67 LEU CD2 C 22.936 0.300 2 738 67 67 LEU CG C 27.307 0.300 1 739 67 67 LEU N N 121.264 0.300 1 740 68 68 VAL H H 6.921 0.030 1 741 68 68 VAL HA H 4.473 0.030 1 742 68 68 VAL HB H 2.143 0.030 1 743 68 68 VAL HG1 H 0.455 0.030 1 744 68 68 VAL HG2 H 0.913 0.030 1 745 68 68 VAL C C 173.809 0.300 1 746 68 68 VAL CA C 58.047 0.300 1 747 68 68 VAL CB C 32.295 0.300 1 748 68 68 VAL CG1 C 21.943 0.300 2 749 68 68 VAL CG2 C 18.636 0.300 2 750 68 68 VAL N N 111.287 0.300 1 751 69 69 PRO HA H 4.658 0.030 1 752 69 69 PRO HB2 H 1.723 0.030 2 753 69 69 PRO HB3 H 2.392 0.030 2 754 69 69 PRO HD2 H 3.700 0.030 2 755 69 69 PRO HD3 H 3.433 0.030 2 756 69 69 PRO HG2 H 1.923 0.030 1 757 69 69 PRO HG3 H 1.923 0.030 1 758 69 69 PRO CA C 61.747 0.300 1 759 69 69 PRO CB C 30.693 0.300 1 760 69 69 PRO CD C 50.576 0.300 1 761 69 69 PRO CG C 27.604 0.300 1 762 70 70 PRO HA H 4.414 0.030 1 763 70 70 PRO HB2 H 2.362 0.030 2 764 70 70 PRO HB3 H 1.898 0.030 2 765 70 70 PRO HD2 H 3.633 0.030 2 766 70 70 PRO HD3 H 3.915 0.030 2 767 70 70 PRO HG2 H 2.130 0.030 2 768 70 70 PRO HG3 H 2.073 0.030 2 769 70 70 PRO CA C 63.997 0.300 1 770 70 70 PRO CB C 31.602 0.300 1 771 70 70 PRO CD C 50.974 0.300 1 772 70 70 PRO CG C 27.665 0.300 1 773 71 71 GLY H H 8.824 0.030 1 774 71 71 GLY HA2 H 3.703 0.030 2 775 71 71 GLY HA3 H 4.193 0.030 2 776 71 71 GLY C C 174.052 0.300 1 777 71 71 GLY CA C 45.065 0.300 1 778 71 71 GLY N N 111.845 0.300 1 779 72 72 THR H H 7.597 0.030 1 780 72 72 THR HA H 4.133 0.030 1 781 72 72 THR HB H 3.974 0.030 1 782 72 72 THR HG2 H 1.204 0.030 1 783 72 72 THR CA C 63.129 0.300 1 784 72 72 THR CB C 69.560 0.300 1 785 72 72 THR CG2 C 21.233 0.300 1 786 72 72 THR N N 117.485 0.300 1 787 73 73 ASN H H 9.280 0.030 1 788 73 73 ASN HA H 4.786 0.030 1 789 73 73 ASN HB2 H 2.789 0.030 2 790 73 73 ASN HB3 H 2.953 0.030 2 791 73 73 ASN HD21 H 7.153 0.030 2 792 73 73 ASN HD22 H 8.393 0.030 2 793 73 73 ASN CA C 52.009 0.300 1 794 73 73 ASN CB C 37.553 0.300 1 795 73 73 ASN N N 127.641 0.300 1 796 73 73 ASN ND2 N 113.832 0.300 1 797 74 74 PRO HA H 4.752 0.030 1 798 74 74 PRO HB2 H 2.306 0.030 2 799 74 74 PRO HB3 H 2.133 0.030 2 800 74 74 PRO HD2 H 3.871 0.030 1 801 74 74 PRO HD3 H 3.871 0.030 1 802 74 74 PRO HG2 H 1.982 0.030 1 803 74 74 PRO HG3 H 1.982 0.030 1 804 74 74 PRO C C 175.190 0.300 1 805 74 74 PRO CA C 63.395 0.300 1 806 74 74 PRO CB C 33.164 0.300 1 807 74 74 PRO CD C 51.038 0.300 1 808 74 74 PRO CG C 27.294 0.300 1 809 75 75 HIS H H 8.025 0.030 1 810 75 75 HIS HA H 5.047 0.030 1 811 75 75 HIS HB2 H 3.073 0.030 2 812 75 75 HIS HB3 H 2.910 0.030 2 813 75 75 HIS HD2 H 6.813 0.030 1 814 75 75 HIS HE1 H 7.365 0.030 1 815 75 75 HIS C C 172.562 0.300 1 816 75 75 HIS CA C 54.336 0.300 1 817 75 75 HIS CB C 30.956 0.300 1 818 75 75 HIS CD2 C 116.599 0.300 1 819 75 75 HIS CE1 C 142.401 0.300 1 820 75 75 HIS N N 116.198 0.300 1 821 76 76 CYS H H 8.343 0.030 1 822 76 76 CYS HA H 4.594 0.030 1 823 76 76 CYS HB2 H 3.483 0.030 2 824 76 76 CYS HB3 H 2.939 0.030 2 825 76 76 CYS C C 175.651 0.300 1 826 76 76 CYS CA C 61.066 0.300 1 827 76 76 CYS CB C 30.193 0.300 1 828 76 76 CYS N N 113.289 0.300 1 829 77 77 PHE H H 8.433 0.030 1 830 77 77 PHE HA H 5.105 0.030 1 831 77 77 PHE HB2 H 3.233 0.030 2 832 77 77 PHE HB3 H 3.392 0.030 2 833 77 77 PHE HD1 H 7.083 0.030 1 834 77 77 PHE HD2 H 7.083 0.030 1 835 77 77 PHE HE1 H 7.233 0.030 1 836 77 77 PHE HE2 H 7.233 0.030 1 837 77 77 PHE HZ H 6.990 0.030 1 838 77 77 PHE C C 171.822 0.300 1 839 77 77 PHE CA C 56.874 0.300 1 840 77 77 PHE CB C 39.393 0.300 1 841 77 77 PHE CD1 C 133.102 0.300 1 842 77 77 PHE CD2 C 133.102 0.300 1 843 77 77 PHE CE1 C 130.890 0.300 1 844 77 77 PHE CE2 C 130.890 0.300 1 845 77 77 PHE CZ C 128.966 0.300 1 846 77 77 PHE N N 114.874 0.300 1 847 78 78 GLU H H 9.823 0.030 1 848 78 78 GLU HA H 5.333 0.030 1 849 78 78 GLU HB2 H 1.673 0.030 2 850 78 78 GLU HB3 H 1.407 0.030 2 851 78 78 GLU HG2 H 1.992 0.030 1 852 78 78 GLU HG3 H 1.992 0.030 1 853 78 78 GLU C C 175.602 0.300 1 854 78 78 GLU CA C 54.212 0.300 1 855 78 78 GLU CB C 31.702 0.300 1 856 78 78 GLU CG C 37.243 0.300 1 857 78 78 GLU N N 121.074 0.300 1 858 79 79 ILE H H 9.093 0.030 1 859 79 79 ILE HA H 4.637 0.030 1 860 79 79 ILE HB H 2.024 0.030 1 861 79 79 ILE HD1 H 1.012 0.030 1 862 79 79 ILE HG12 H 1.143 0.030 2 863 79 79 ILE HG13 H 1.953 0.030 2 864 79 79 ILE HG2 H 0.933 0.030 1 865 79 79 ILE C C 174.476 0.300 1 866 79 79 ILE CA C 60.932 0.300 1 867 79 79 ILE CB C 40.803 0.300 1 868 79 79 ILE CD1 C 14.303 0.300 1 869 79 79 ILE CG1 C 27.317 0.300 1 870 79 79 ILE CG2 C 18.660 0.300 1 871 79 79 ILE N N 121.382 0.300 1 872 80 80 VAL H H 8.841 0.030 1 873 80 80 VAL HA H 4.425 0.030 1 874 80 80 VAL HB H 2.187 0.030 1 875 80 80 VAL HG1 H 0.882 0.030 1 876 80 80 VAL HG2 H 0.904 0.030 1 877 80 80 VAL C C 175.930 0.300 1 878 80 80 VAL CA C 63.324 0.300 1 879 80 80 VAL CB C 32.783 0.300 1 880 80 80 VAL CG1 C 21.045 0.300 2 881 80 80 VAL CG2 C 21.045 0.300 2 882 80 80 VAL N N 128.970 0.300 1 883 81 81 THR H H 8.303 0.030 1 884 81 81 THR HA H 5.264 0.030 1 885 81 81 THR HB H 4.653 0.030 1 886 81 81 THR HG2 H 1.283 0.030 1 887 81 81 THR C C 173.664 0.300 1 888 81 81 THR CA C 59.540 0.300 1 889 81 81 THR CB C 72.197 0.300 1 890 81 81 THR CG2 C 21.703 0.300 1 891 81 81 THR N N 118.077 0.300 1 892 82 82 ALA H H 9.586 0.030 1 893 82 82 ALA HA H 4.093 0.030 1 894 82 82 ALA HB H 1.463 0.030 1 895 82 82 ALA C C 178.667 0.300 1 896 82 82 ALA CA C 55.321 0.300 1 897 82 82 ALA CB C 18.094 0.300 1 898 82 82 ALA N N 122.493 0.300 1 899 83 83 ASN H H 7.923 0.030 1 900 83 83 ASN HA H 4.808 0.030 1 901 83 83 ASN HB2 H 2.810 0.030 2 902 83 83 ASN HB3 H 2.735 0.030 2 903 83 83 ASN HD21 H 7.677 0.030 2 904 83 83 ASN HD22 H 7.013 0.030 2 905 83 83 ASN C C 174.766 0.300 1 906 83 83 ASN CA C 53.333 0.300 1 907 83 83 ASN CB C 40.335 0.300 1 908 83 83 ASN N N 110.765 0.300 1 909 83 83 ASN ND2 N 113.916 0.300 1 910 84 84 ALA H H 7.352 0.030 1 911 84 84 ALA HA H 4.625 0.030 1 912 84 84 ALA HB H 1.040 0.030 1 913 84 84 ALA C C 176.547 0.300 1 914 84 84 ALA CA C 52.858 0.300 1 915 84 84 ALA CB C 21.233 0.300 1 916 84 84 ALA N N 119.599 0.300 1 917 85 85 THR H H 8.374 0.030 1 918 85 85 THR HA H 5.014 0.030 1 919 85 85 THR HB H 3.563 0.030 1 920 85 85 THR HG2 H 0.342 0.030 1 921 85 85 THR C C 171.568 0.300 1 922 85 85 THR CA C 61.618 0.300 1 923 85 85 THR CB C 70.850 0.300 1 924 85 85 THR CG2 C 21.867 0.300 1 925 85 85 THR N N 119.032 0.300 1 926 86 86 TYR H H 9.006 0.030 1 927 86 86 TYR HA H 4.658 0.030 1 928 86 86 TYR HB2 H 2.713 0.030 2 929 86 86 TYR HB3 H 2.553 0.030 2 930 86 86 TYR HD1 H 6.918 0.030 1 931 86 86 TYR HD2 H 6.918 0.030 1 932 86 86 TYR HE1 H 6.557 0.030 1 933 86 86 TYR HE2 H 6.557 0.030 1 934 86 86 TYR C C 173.773 0.300 1 935 86 86 TYR CA C 56.938 0.300 1 936 86 86 TYR CB C 39.513 0.300 1 937 86 86 TYR CD1 C 132.564 0.300 1 938 86 86 TYR CD2 C 132.564 0.300 1 939 86 86 TYR CE1 C 117.176 0.300 1 940 86 86 TYR CE2 C 117.176 0.300 1 941 86 86 TYR N N 123.494 0.300 1 942 87 87 PHE H H 9.263 0.030 1 943 87 87 PHE HA H 4.127 0.030 1 944 87 87 PHE HB2 H 1.242 0.030 2 945 87 87 PHE HB3 H 0.953 0.030 2 946 87 87 PHE HD1 H 5.912 0.030 1 947 87 87 PHE HD2 H 5.912 0.030 1 948 87 87 PHE HE1 H 6.983 0.030 1 949 87 87 PHE HE2 H 6.983 0.030 1 950 87 87 PHE HZ H 6.987 0.030 1 951 87 87 PHE C C 176.369 0.300 1 952 87 87 PHE CA C 57.238 0.300 1 953 87 87 PHE CB C 37.086 0.300 1 954 87 87 PHE CD1 C 131.946 0.300 1 955 87 87 PHE CD2 C 131.946 0.300 1 956 87 87 PHE CE1 C 129.987 0.300 1 957 87 87 PHE CE2 C 129.987 0.300 1 958 87 87 PHE CZ C 129.783 0.300 1 959 87 87 PHE N N 125.384 0.300 1 960 88 88 VAL H H 9.023 0.030 1 961 88 88 VAL HA H 4.162 0.030 1 962 88 88 VAL HB H 0.145 0.030 1 963 88 88 VAL HG1 H 0.274 0.030 1 964 88 88 VAL HG2 H 0.562 0.030 1 965 88 88 VAL C C 176.390 0.300 1 966 88 88 VAL CA C 63.975 0.300 1 967 88 88 VAL CB C 32.378 0.300 1 968 88 88 VAL CG1 C 24.533 0.300 2 969 88 88 VAL CG2 C 21.703 0.300 2 970 88 88 VAL N N 127.348 0.300 1 971 89 89 GLY H H 9.233 0.030 1 972 89 89 GLY HA2 H 4.293 0.030 2 973 89 89 GLY HA3 H 4.186 0.030 2 974 89 89 GLY C C 172.378 0.300 1 975 89 89 GLY CA C 43.798 0.300 1 976 89 89 GLY N N 116.041 0.300 1 977 90 90 GLU H H 8.532 0.030 1 978 90 90 GLU HA H 4.794 0.030 1 979 90 90 GLU HB2 H 1.769 0.030 2 980 90 90 GLU HB3 H 1.811 0.030 2 981 90 90 GLU HG2 H 1.951 0.030 1 982 90 90 GLU HG3 H 1.951 0.030 1 983 90 90 GLU C C 174.221 0.300 1 984 90 90 GLU CA C 56.393 0.300 1 985 90 90 GLU CB C 33.182 0.300 1 986 90 90 GLU CG C 36.680 0.300 1 987 90 90 GLU N N 120.905 0.300 1 988 91 91 MET H H 8.450 0.030 1 989 91 91 MET HA H 4.904 0.030 1 990 91 91 MET HB2 H 1.853 0.030 2 991 91 91 MET HB3 H 2.042 0.030 2 992 91 91 MET HE H 2.174 0.030 1 993 91 91 MET HG2 H 2.493 0.030 2 994 91 91 MET HG3 H 2.396 0.030 2 995 91 91 MET C C 173.373 0.300 1 996 91 91 MET CA C 52.277 0.300 1 997 91 91 MET CB C 32.789 0.300 1 998 91 91 MET CE C 17.351 0.300 1 999 91 91 MET CG C 32.083 0.300 1 1000 91 91 MET N N 125.173 0.300 1 1001 92 92 PRO HA H 4.358 0.030 1 1002 92 92 PRO HB2 H 2.309 0.030 2 1003 92 92 PRO HB3 H 1.993 0.030 2 1004 92 92 PRO HD2 H 3.833 0.030 2 1005 92 92 PRO HD3 H 3.764 0.030 2 1006 92 92 PRO HG2 H 1.973 0.030 2 1007 92 92 PRO HG3 H 2.113 0.030 2 1008 92 92 PRO C C 177.589 0.300 1 1009 92 92 PRO CA C 63.143 0.300 1 1010 92 92 PRO CB C 32.083 0.300 1 1011 92 92 PRO CD C 50.645 0.300 1 1012 92 92 PRO CG C 27.623 0.300 1 1013 93 93 GLY H H 8.330 0.030 1 1014 93 93 GLY HA2 H 3.943 0.030 2 1015 93 93 GLY HA3 H 4.045 0.030 2 1016 93 93 GLY C C 174.730 0.300 1 1017 93 93 GLY CA C 45.276 0.300 1 1018 93 93 GLY N N 109.420 0.300 1 1019 94 94 GLY H H 8.331 0.030 1 1020 94 94 GLY HA2 H 3.973 0.030 1 1021 94 94 GLY HA3 H 3.973 0.030 1 1022 94 94 GLY C C 174.100 0.300 1 1023 94 94 GLY CA C 45.333 0.300 1 1024 94 94 GLY N N 108.483 0.300 1 1025 95 95 THR H H 8.095 0.030 1 1026 95 95 THR HA H 4.643 0.030 1 1027 95 95 THR HB H 4.172 0.030 1 1028 95 95 THR HG2 H 1.233 0.030 1 1029 95 95 THR C C 173.155 0.300 1 1030 95 95 THR CA C 59.922 0.300 1 1031 95 95 THR CB C 69.871 0.300 1 1032 95 95 THR CG2 C 21.405 0.300 1 1033 95 95 THR N N 115.860 0.300 1 1034 96 96 PRO HA H 4.400 0.030 1 1035 96 96 PRO HB2 H 2.221 0.030 2 1036 96 96 PRO HB3 H 1.926 0.030 2 1037 96 96 PRO HD2 H 3.893 0.030 2 1038 96 96 PRO HD3 H 3.723 0.030 2 1039 96 96 PRO HG2 H 2.073 0.030 1 1040 96 96 PRO HG3 H 2.073 0.030 1 1041 96 96 PRO C C 177.565 0.300 1 1042 96 96 PRO CA C 64.047 0.300 1 1043 96 96 PRO CB C 31.816 0.300 1 1044 96 96 PRO CD C 51.138 0.300 1 1045 96 96 PRO CG C 27.623 0.300 1 1046 97 97 GLY H H 8.572 0.030 1 1047 97 97 GLY HA2 H 4.007 0.030 1 1048 97 97 GLY HA3 H 4.007 0.030 1 1049 97 97 GLY C C 174.609 0.300 1 1050 97 97 GLY CA C 45.276 0.300 1 1051 97 97 GLY N N 110.233 0.300 1 1052 98 98 GLY H H 8.119 0.030 1 1053 98 98 GLY HA2 H 4.086 0.030 2 1054 98 98 GLY HA3 H 4.200 0.030 2 1055 98 98 GLY CA C 44.876 0.300 1 1056 98 98 GLY N N 108.845 0.300 1 1057 99 99 PRO HA H 4.494 0.030 1 1058 99 99 PRO HB2 H 2.323 0.030 2 1059 99 99 PRO HB3 H 1.992 0.030 2 1060 99 99 PRO HD2 H 3.683 0.030 1 1061 99 99 PRO HD3 H 3.683 0.030 1 1062 99 99 PRO HG2 H 2.044 0.030 1 1063 99 99 PRO HG3 H 2.044 0.030 1 1064 99 99 PRO C C 177.468 0.300 1 1065 99 99 PRO CA C 63.500 0.300 1 1066 99 99 PRO CB C 32.013 0.300 1 1067 99 99 PRO CD C 50.069 0.300 1 1068 99 99 PRO CG C 27.363 0.300 1 1069 100 100 SER H H 8.472 0.030 1 1070 100 100 SER HA H 4.513 0.030 1 1071 100 100 SER HB2 H 3.953 0.030 1 1072 100 100 SER HB3 H 3.953 0.030 1 1073 100 100 SER C C 175.408 0.300 1 1074 100 100 SER CA C 58.557 0.300 1 1075 100 100 SER CB C 63.918 0.300 1 1076 100 100 SER N N 116.038 0.300 1 1077 101 101 GLY H H 8.427 0.030 1 1078 101 101 GLY HA2 H 4.064 0.030 1 1079 101 101 GLY HA3 H 4.064 0.030 1 1080 101 101 GLY C C 174.730 0.300 1 1081 101 101 GLY CA C 45.575 0.300 1 1082 101 101 GLY N N 110.558 0.300 1 1083 102 102 GLN H H 8.416 0.030 1 1084 102 102 GLN HA H 4.383 0.030 1 1085 102 102 GLN HB2 H 2.083 0.030 2 1086 102 102 GLN HB3 H 2.213 0.030 2 1087 102 102 GLN HE21 H 6.895 0.030 2 1088 102 102 GLN HE22 H 7.593 0.030 2 1089 102 102 GLN HG2 H 2.453 0.030 1 1090 102 102 GLN HG3 H 2.453 0.030 1 1091 102 102 GLN C C 177.346 0.300 1 1092 102 102 GLN CA C 57.080 0.300 1 1093 102 102 GLN CB C 29.235 0.300 1 1094 102 102 GLN CG C 34.036 0.300 1 1095 102 102 GLN N N 120.112 0.300 1 1096 102 102 GLN NE2 N 112.335 0.300 1 1097 103 103 GLY H H 8.713 0.030 1 1098 103 103 GLY HA2 H 4.193 0.030 2 1099 103 103 GLY HA3 H 4.078 0.030 2 1100 103 103 GLY C C 175.602 0.300 1 1101 103 103 GLY CA C 46.120 0.300 1 1102 103 103 GLY N N 109.817 0.300 1 1103 104 104 ALA H H 8.366 0.030 1 1104 104 104 ALA HA H 4.449 0.030 1 1105 104 104 ALA HB H 1.573 0.030 1 1106 104 104 ALA C C 179.188 0.300 1 1107 104 104 ALA CA C 54.230 0.300 1 1108 104 104 ALA CB C 19.080 0.300 1 1109 104 104 ALA N N 124.808 0.300 1 1110 105 105 GLU H H 8.576 0.030 1 1111 105 105 GLU HA H 4.161 0.030 1 1112 105 105 GLU HB2 H 2.156 0.030 1 1113 105 105 GLU HB3 H 2.156 0.030 1 1114 105 105 GLU HG2 H 2.383 0.030 1 1115 105 105 GLU HG3 H 2.383 0.030 1 1116 105 105 GLU C C 179.200 0.300 1 1117 105 105 GLU CA C 59.173 0.300 1 1118 105 105 GLU CB C 29.194 0.300 1 1119 105 105 GLU CG C 36.420 0.300 1 1120 105 105 GLU N N 119.238 0.300 1 1121 106 106 ALA H H 8.381 0.030 1 1122 106 106 ALA HA H 4.283 0.030 1 1123 106 106 ALA HB H 1.665 0.030 1 1124 106 106 ALA C C 180.048 0.300 1 1125 106 106 ALA CA C 54.687 0.300 1 1126 106 106 ALA CB C 18.341 0.300 1 1127 106 106 ALA N N 123.327 0.300 1 1128 107 107 ALA H H 8.123 0.030 1 1129 107 107 ALA HA H 4.554 0.030 1 1130 107 107 ALA HB H 1.797 0.030 1 1131 107 107 ALA C C 179.757 0.300 1 1132 107 107 ALA CA C 55.355 0.300 1 1133 107 107 ALA CB C 18.939 0.300 1 1134 107 107 ALA N N 120.740 0.300 1 1135 108 108 ARG H H 8.403 0.030 1 1136 108 108 ARG HA H 4.254 0.030 1 1137 108 108 ARG HB2 H 1.996 0.030 1 1138 108 108 ARG HB3 H 1.996 0.030 1 1139 108 108 ARG HD2 H 3.262 0.030 1 1140 108 108 ARG HD3 H 3.262 0.030 1 1141 108 108 ARG HG2 H 1.846 0.030 2 1142 108 108 ARG HG3 H 1.744 0.030 2 1143 108 108 ARG C C 179.111 0.300 1 1144 108 108 ARG CA C 59.015 0.300 1 1145 108 108 ARG CB C 29.752 0.300 1 1146 108 108 ARG CD C 43.315 0.300 1 1147 108 108 ARG CG C 27.705 0.300 1 1148 108 108 ARG N N 119.531 0.300 1 1149 109 109 GLY H H 8.182 0.030 1 1150 109 109 GLY HA2 H 3.822 0.030 1 1151 109 109 GLY HA3 H 3.822 0.030 1 1152 109 109 GLY C C 177.020 0.300 1 1153 109 109 GLY CA C 46.718 0.300 1 1154 109 109 GLY N N 107.331 0.300 1 1155 110 110 TRP H H 7.925 0.030 1 1156 110 110 TRP HA H 3.963 0.030 1 1157 110 110 TRP HB2 H 3.633 0.030 2 1158 110 110 TRP HB3 H 3.293 0.030 2 1159 110 110 TRP HD1 H 7.373 0.030 1 1160 110 110 TRP HE1 H 10.523 0.030 1 1161 110 110 TRP HE3 H 7.609 0.030 1 1162 110 110 TRP HH2 H 6.923 0.030 1 1163 110 110 TRP HZ2 H 6.972 0.030 1 1164 110 110 TRP HZ3 H 7.092 0.030 1 1165 110 110 TRP C C 176.691 0.300 1 1166 110 110 TRP CA C 62.041 0.300 1 1167 110 110 TRP CB C 28.989 0.300 1 1168 110 110 TRP CD1 C 126.662 0.300 1 1169 110 110 TRP CE3 C 118.931 0.300 1 1170 110 110 TRP CH2 C 125.074 0.300 1 1171 110 110 TRP CZ2 C 115.272 0.300 1 1172 110 110 TRP CZ3 C 121.242 0.300 1 1173 110 110 TRP N N 122.304 0.300 1 1174 110 110 TRP NE1 N 131.483 0.300 1 1175 111 111 GLU H H 7.946 0.030 1 1176 111 111 GLU HA H 2.594 0.030 1 1177 111 111 GLU HB2 H 1.772 0.030 2 1178 111 111 GLU HB3 H 1.022 0.030 2 1179 111 111 GLU HG2 H 1.442 0.030 2 1180 111 111 GLU HG3 H 1.663 0.030 2 1181 111 111 GLU C C 177.976 0.300 1 1182 111 111 GLU CA C 60.193 0.300 1 1183 111 111 GLU CB C 29.277 0.300 1 1184 111 111 GLU CG C 35.143 0.300 1 1185 111 111 GLU N N 121.755 0.300 1 1186 112 112 THR H H 7.993 0.030 1 1187 112 112 THR HA H 3.722 0.030 1 1188 112 112 THR HB H 4.063 0.030 1 1189 112 112 THR HG2 H 1.170 0.030 1 1190 112 112 THR C C 176.038 0.300 1 1191 112 112 THR CA C 66.104 0.300 1 1192 112 112 THR CB C 68.885 0.300 1 1193 112 112 THR CG2 C 21.703 0.300 1 1194 112 112 THR N N 112.247 0.300 1 1195 113 113 ALA H H 7.742 0.030 1 1196 113 113 ALA HA H 4.029 0.030 1 1197 113 113 ALA HB H 1.183 0.030 1 1198 113 113 ALA C C 180.545 0.300 1 1199 113 113 ALA CA C 55.127 0.300 1 1200 113 113 ALA CB C 18.854 0.300 1 1201 113 113 ALA N N 123.134 0.300 1 1202 114 114 ILE H H 8.472 0.030 1 1203 114 114 ILE HA H 3.613 0.030 1 1204 114 114 ILE HB H 1.863 0.030 1 1205 114 114 ILE HD1 H 1.370 0.030 1 1206 114 114 ILE HG12 H 1.129 0.030 2 1207 114 114 ILE HG13 H 2.412 0.030 2 1208 114 114 ILE HG2 H 0.931 0.030 1 1209 114 114 ILE C C 176.947 0.300 1 1210 114 114 ILE CA C 66.016 0.300 1 1211 114 114 ILE CB C 38.335 0.300 1 1212 114 114 ILE CD1 C 15.043 0.300 1 1213 114 114 ILE CG1 C 30.663 0.300 1 1214 114 114 ILE CG2 C 17.933 0.300 1 1215 114 114 ILE N N 118.276 0.300 1 1216 115 115 ARG H H 8.181 0.030 1 1217 115 115 ARG HA H 3.835 0.030 1 1218 115 115 ARG HB2 H 1.843 0.030 2 1219 115 115 ARG HB3 H 1.806 0.030 2 1220 115 115 ARG HD2 H 3.255 0.030 2 1221 115 115 ARG HD3 H 3.116 0.030 2 1222 115 115 ARG HG2 H 1.596 0.030 2 1223 115 115 ARG HG3 H 1.802 0.030 2 1224 115 115 ARG C C 179.588 0.300 1 1225 115 115 ARG CA C 61.072 0.300 1 1226 115 115 ARG CB C 29.975 0.300 1 1227 115 115 ARG CD C 43.327 0.300 1 1228 115 115 ARG CG C 29.312 0.300 1 1229 115 115 ARG N N 117.921 0.300 1 1230 116 116 GLN H H 8.395 0.030 1 1231 116 116 GLN HA H 4.030 0.030 1 1232 116 116 GLN HB2 H 2.164 0.030 2 1233 116 116 GLN HB3 H 2.062 0.030 2 1234 116 116 GLN HE21 H 6.773 0.030 2 1235 116 116 GLN HE22 H 7.364 0.030 2 1236 116 116 GLN HG2 H 2.384 0.030 2 1237 116 116 GLN HG3 H 2.512 0.030 2 1238 116 116 GLN C C 178.716 0.300 1 1239 116 116 GLN CA C 58.790 0.300 1 1240 116 116 GLN CB C 28.248 0.300 1 1241 116 116 GLN CG C 34.283 0.300 1 1242 116 116 GLN N N 116.842 0.300 1 1243 116 116 GLN NE2 N 111.537 0.300 1 1244 117 117 ALA H H 7.902 0.030 1 1245 117 117 ALA HA H 4.143 0.030 1 1246 117 117 ALA HB H 1.468 0.030 1 1247 117 117 ALA C C 179.685 0.300 1 1248 117 117 ALA CA C 54.476 0.300 1 1249 117 117 ALA CB C 18.300 0.300 1 1250 117 117 ALA N N 122.828 0.300 1 1251 118 118 LEU H H 7.904 0.030 1 1252 118 118 LEU HA H 4.119 0.030 1 1253 118 118 LEU HB2 H 1.874 0.030 2 1254 118 118 LEU HB3 H 1.683 0.030 2 1255 118 118 LEU HD1 H 0.922 0.030 1 1256 118 118 LEU HD2 H 0.885 0.030 1 1257 118 118 LEU HG H 1.933 0.030 1 1258 118 118 LEU C C 178.437 0.300 1 1259 118 118 LEU CA C 56.781 0.300 1 1260 118 118 LEU CB C 42.371 0.300 1 1261 118 118 LEU CD1 C 24.773 0.300 2 1262 118 118 LEU CD2 C 26.143 0.300 2 1263 118 118 LEU CG C 26.443 0.300 1 1264 118 118 LEU N N 117.632 0.300 1 1265 119 119 MET H H 7.673 0.030 1 1266 119 119 MET HA H 4.442 0.030 1 1267 119 119 MET HB2 H 2.223 0.030 2 1268 119 119 MET HB3 H 2.143 0.030 2 1269 119 119 MET HE H 2.124 0.030 1 1270 119 119 MET HG2 H 2.773 0.030 2 1271 119 119 MET HG3 H 2.655 0.030 2 1272 119 119 MET C C 176.680 0.300 1 1273 119 119 MET CA C 56.432 0.300 1 1274 119 119 MET CB C 32.769 0.300 1 1275 119 119 MET CE C 16.908 0.300 1 1276 119 119 MET CG C 32.083 0.300 1 1277 119 119 MET N N 117.286 0.300 1 1278 120 120 SER H H 7.878 0.030 1 1279 120 120 SER HA H 4.500 0.030 1 1280 120 120 SER HB2 H 3.960 0.030 1 1281 120 120 SER HB3 H 3.960 0.030 1 1282 120 120 SER C C 174.742 0.300 1 1283 120 120 SER CA C 58.962 0.300 1 1284 120 120 SER CB C 63.853 0.300 1 1285 120 120 SER N N 115.064 0.300 1 1286 121 121 GLY H H 8.059 0.030 1 1287 121 121 GLY HA2 H 4.231 0.030 2 1288 121 121 GLY HA3 H 4.112 0.030 2 1289 121 121 GLY C C 172.065 0.300 1 1290 121 121 GLY CA C 45.030 0.300 1 1291 121 121 GLY N N 110.271 0.300 1 1292 122 122 PRO HA H 4.496 0.030 1 1293 122 122 PRO HB2 H 2.322 0.030 1 1294 122 122 PRO HB3 H 2.322 0.030 1 1295 122 122 PRO HD2 H 3.683 0.030 1 1296 122 122 PRO HD3 H 3.683 0.030 1 1297 122 122 PRO HG2 H 2.041 0.030 1 1298 122 122 PRO HG3 H 2.041 0.030 1 1299 122 122 PRO CA C 63.399 0.300 1 1300 122 122 PRO CB C 32.186 0.300 1 1301 122 122 PRO CD C 49.956 0.300 1 1302 122 122 PRO CG C 27.404 0.300 1 stop_ save_