data_10251 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C-terminal PH domain of human pleckstrin 2 ; _BMRB_accession_number 10251 _BMRB_flat_file_name bmr10251.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 Tomizawa T. . . 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" 729 "13C chemical shifts" 550 "15N chemical shifts" 124 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 C-terminal PH domain of human pleckstrin 2' _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 Tomizawa T. . . 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 'Pleckstrin 2' _Enzyme_commission_number . 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 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; GSSGSSGSLSTVELSGTVVK QGYLAKQGHKRKNWKVRRFV LRKDPAFLHYYDPSKEENRP VGGFSLRGSLVSALEDNGVP TGVKGNVQGNLFKVITKDDT HYYIQASSKAERAEWIEAIK KLTSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 LEU 10 SER 11 THR 12 VAL 13 GLU 14 LEU 15 SER 16 GLY 17 THR 18 VAL 19 VAL 20 LYS 21 GLN 22 GLY 23 TYR 24 LEU 25 ALA 26 LYS 27 GLN 28 GLY 29 HIS 30 LYS 31 ARG 32 LYS 33 ASN 34 TRP 35 LYS 36 VAL 37 ARG 38 ARG 39 PHE 40 VAL 41 LEU 42 ARG 43 LYS 44 ASP 45 PRO 46 ALA 47 PHE 48 LEU 49 HIS 50 TYR 51 TYR 52 ASP 53 PRO 54 SER 55 LYS 56 GLU 57 GLU 58 ASN 59 ARG 60 PRO 61 VAL 62 GLY 63 GLY 64 PHE 65 SER 66 LEU 67 ARG 68 GLY 69 SER 70 LEU 71 VAL 72 SER 73 ALA 74 LEU 75 GLU 76 ASP 77 ASN 78 GLY 79 VAL 80 PRO 81 THR 82 GLY 83 VAL 84 LYS 85 GLY 86 ASN 87 VAL 88 GLN 89 GLY 90 ASN 91 LEU 92 PHE 93 LYS 94 VAL 95 ILE 96 THR 97 LYS 98 ASP 99 ASP 100 THR 101 HIS 102 TYR 103 TYR 104 ILE 105 GLN 106 ALA 107 SER 108 SER 109 LYS 110 ALA 111 GLU 112 ARG 113 ALA 114 GLU 115 TRP 116 ILE 117 GLU 118 ALA 119 ILE 120 LYS 121 LYS 122 LEU 123 THR 124 SER 125 GLY 126 PRO 127 SER 128 SER 129 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1X1G "Solution Structure Of The C-Terminal Ph Domain Of Human Pleckstrin 2" 100.00 129 100.00 100.00 3.41e-87 REF XP_011384462 "PREDICTED: pleckstrin-2 [Pteropus vampyrus]" 89.92 417 97.41 99.14 2.80e-73 REF XP_011534947 "PREDICTED: pleckstrin-2 isoform X2 [Homo sapiens]" 89.92 218 100.00 100.00 2.43e-78 REF XP_011724706 "PREDICTED: pleckstrin-2 isoform X2 [Macaca nemestrina]" 89.92 308 98.28 99.14 5.82e-76 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 P040614-11 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 1.24 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 1.0.7 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 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 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 7 7 GLY HA2 H 3.978 0.030 1 2 7 7 GLY HA3 H 3.978 0.030 1 3 7 7 GLY C C 174.274 0.300 1 4 7 7 GLY CA C 45.383 0.300 1 5 8 8 SER H H 8.211 0.030 1 6 8 8 SER HA H 4.425 0.030 1 7 8 8 SER HB2 H 3.845 0.030 1 8 8 8 SER HB3 H 3.845 0.030 1 9 8 8 SER C C 174.635 0.300 1 10 8 8 SER CA C 58.425 0.300 1 11 8 8 SER CB C 63.885 0.300 1 12 8 8 SER N N 115.732 0.300 1 13 9 9 LEU H H 8.316 0.030 1 14 9 9 LEU HA H 4.334 0.030 1 15 9 9 LEU HB2 H 1.628 0.030 2 16 9 9 LEU HB3 H 1.550 0.030 2 17 9 9 LEU HD1 H 0.857 0.030 1 18 9 9 LEU HD2 H 0.815 0.030 1 19 9 9 LEU HG H 1.602 0.030 1 20 9 9 LEU C C 177.447 0.300 1 21 9 9 LEU CA C 55.407 0.300 1 22 9 9 LEU CB C 42.171 0.300 1 23 9 9 LEU CD1 C 25.081 0.300 2 24 9 9 LEU CD2 C 23.576 0.300 2 25 9 9 LEU CG C 26.836 0.300 1 26 9 9 LEU N N 123.943 0.300 1 27 10 10 SER H H 8.304 0.030 1 28 10 10 SER HA H 4.424 0.030 1 29 10 10 SER HB2 H 3.818 0.030 2 30 10 10 SER HB3 H 3.876 0.030 2 31 10 10 SER C C 175.025 0.300 1 32 10 10 SER CA C 58.425 0.300 1 33 10 10 SER CB C 63.638 0.300 1 34 10 10 SER N N 116.718 0.300 1 35 11 11 THR H H 8.003 0.030 1 36 11 11 THR HA H 4.196 0.030 1 37 11 11 THR HB H 4.233 0.030 1 38 11 11 THR HG2 H 1.155 0.030 1 39 11 11 THR C C 176.296 0.300 1 40 11 11 THR CA C 62.483 0.300 1 41 11 11 THR CB C 69.266 0.300 1 42 11 11 THR CG2 C 21.732 0.300 1 43 11 11 THR N N 114.902 0.300 1 44 12 12 VAL H H 8.095 0.030 1 45 12 12 VAL HA H 3.826 0.030 1 46 12 12 VAL HB H 2.052 0.030 1 47 12 12 VAL HG1 H 0.897 0.030 1 48 12 12 VAL HG2 H 0.964 0.030 1 49 12 12 VAL C C 178.501 0.300 1 50 12 12 VAL CA C 64.760 0.300 1 51 12 12 VAL CB C 32.013 0.300 1 52 12 12 VAL CG1 C 20.816 0.300 2 53 12 12 VAL CG2 C 21.319 0.300 2 54 12 12 VAL N N 122.111 0.300 1 55 13 13 GLU H H 8.151 0.030 1 56 13 13 GLU HA H 3.244 0.030 1 57 13 13 GLU HB2 H 1.116 0.030 2 58 13 13 GLU HB3 H 1.176 0.030 2 59 13 13 GLU HG2 H 1.990 0.030 2 60 13 13 GLU HG3 H 1.836 0.030 2 61 13 13 GLU C C 175.702 0.300 1 62 13 13 GLU CA C 58.354 0.300 1 63 13 13 GLU CB C 28.843 0.300 1 64 13 13 GLU CG C 36.372 0.300 1 65 13 13 GLU N N 120.316 0.300 1 66 14 14 LEU H H 7.067 0.030 1 67 14 14 LEU HA H 4.157 0.030 1 68 14 14 LEU HB2 H 1.461 0.030 2 69 14 14 LEU HB3 H 1.315 0.030 2 70 14 14 LEU HD1 H 0.534 0.030 1 71 14 14 LEU HD2 H -0.023 0.030 1 72 14 14 LEU HG H 0.983 0.030 1 73 14 14 LEU C C 176.863 0.300 1 74 14 14 LEU CA C 53.324 0.300 1 75 14 14 LEU CB C 41.636 0.300 1 76 14 14 LEU CD1 C 25.081 0.300 2 77 14 14 LEU CD2 C 21.319 0.300 2 78 14 14 LEU CG C 26.584 0.300 1 79 14 14 LEU N N 117.035 0.300 1 80 15 15 SER H H 7.645 0.030 1 81 15 15 SER HA H 4.305 0.030 1 82 15 15 SER HB2 H 3.974 0.030 2 83 15 15 SER HB3 H 3.916 0.030 2 84 15 15 SER C C 175.340 0.300 1 85 15 15 SER CA C 59.783 0.300 1 86 15 15 SER CB C 64.625 0.300 1 87 15 15 SER N N 114.216 0.300 1 88 16 16 GLY H H 8.506 0.030 1 89 16 16 GLY HA2 H 4.237 0.030 2 90 16 16 GLY HA3 H 3.927 0.030 2 91 16 16 GLY C C 173.661 0.300 1 92 16 16 GLY CA C 44.995 0.300 1 93 16 16 GLY N N 111.838 0.300 1 94 17 17 THR H H 8.482 0.030 1 95 17 17 THR HA H 4.319 0.030 1 96 17 17 THR HB H 3.854 0.030 1 97 17 17 THR HG2 H 1.195 0.030 1 98 17 17 THR C C 174.758 0.300 1 99 17 17 THR CA C 62.272 0.300 1 100 17 17 THR CB C 70.706 0.300 1 101 17 17 THR CG2 C 21.320 0.300 1 102 17 17 THR N N 116.679 0.300 1 103 18 18 VAL H H 8.948 0.030 1 104 18 18 VAL HA H 3.950 0.030 1 105 18 18 VAL HB H 1.971 0.030 1 106 18 18 VAL HG1 H 0.834 0.030 1 107 18 18 VAL HG2 H 0.940 0.030 1 108 18 18 VAL C C 176.669 0.300 1 109 18 18 VAL CA C 64.813 0.300 1 110 18 18 VAL CB C 31.807 0.300 1 111 18 18 VAL CG1 C 21.319 0.300 2 112 18 18 VAL CG2 C 22.071 0.300 2 113 18 18 VAL N N 127.156 0.300 1 114 19 19 VAL H H 9.359 0.030 1 115 19 19 VAL HA H 4.234 0.030 1 116 19 19 VAL HB H 1.849 0.030 1 117 19 19 VAL HG1 H 0.890 0.030 1 118 19 19 VAL HG2 H 0.838 0.030 1 119 19 19 VAL C C 175.738 0.300 1 120 19 19 VAL CA C 62.060 0.300 1 121 19 19 VAL CB C 33.822 0.300 1 122 19 19 VAL CG1 C 21.403 0.300 2 123 19 19 VAL CG2 C 20.566 0.300 2 124 19 19 VAL N N 125.162 0.300 1 125 20 20 LYS H H 7.584 0.030 1 126 20 20 LYS HA H 4.346 0.030 1 127 20 20 LYS HB2 H 1.355 0.030 2 128 20 20 LYS HB3 H 1.024 0.030 2 129 20 20 LYS HD2 H -0.384 0.030 2 130 20 20 LYS HD3 H 0.694 0.030 2 131 20 20 LYS HE2 H 1.605 0.030 2 132 20 20 LYS HE3 H 1.355 0.030 2 133 20 20 LYS HG2 H 1.105 0.030 2 134 20 20 LYS HG3 H 0.359 0.030 2 135 20 20 LYS C C 172.818 0.300 1 136 20 20 LYS CA C 56.801 0.300 1 137 20 20 LYS CB C 36.624 0.300 1 138 20 20 LYS CD C 28.592 0.300 1 139 20 20 LYS CE C 40.091 0.300 1 140 20 20 LYS CG C 25.022 0.300 1 141 20 20 LYS N N 121.024 0.300 1 142 21 21 GLN H H 8.625 0.030 1 143 21 21 GLN HA H 6.003 0.030 1 144 21 21 GLN HB2 H 2.115 0.030 1 145 21 21 GLN HB3 H 2.115 0.030 1 146 21 21 GLN HE21 H 7.503 0.030 2 147 21 21 GLN HE22 H 6.773 0.030 2 148 21 21 GLN HG2 H 2.276 0.030 2 149 21 21 GLN HG3 H 2.211 0.030 2 150 21 21 GLN C C 174.914 0.300 1 151 21 21 GLN CA C 54.207 0.300 1 152 21 21 GLN CB C 33.452 0.300 1 153 21 21 GLN CG C 33.411 0.300 1 154 21 21 GLN N N 122.108 0.300 1 155 21 21 GLN NE2 N 111.803 0.300 1 156 22 22 GLY H H 8.964 0.030 1 157 22 22 GLY HA2 H 4.665 0.030 2 158 22 22 GLY HA3 H 4.295 0.030 2 159 22 22 GLY C C 170.879 0.300 1 160 22 22 GLY CA C 45.683 0.300 1 161 22 22 GLY N N 108.508 0.300 1 162 23 23 TYR H H 9.145 0.030 1 163 23 23 TYR HA H 5.595 0.030 1 164 23 23 TYR HB2 H 2.992 0.030 2 165 23 23 TYR HB3 H 2.785 0.030 2 166 23 23 TYR HD1 H 7.095 0.030 1 167 23 23 TYR HD2 H 7.095 0.030 1 168 23 23 TYR HE1 H 6.825 0.030 1 169 23 23 TYR HE2 H 6.825 0.030 1 170 23 23 TYR C C 175.824 0.300 1 171 23 23 TYR CA C 58.019 0.300 1 172 23 23 TYR CB C 39.251 0.300 1 173 23 23 TYR CD1 C 132.837 0.300 1 174 23 23 TYR CD2 C 132.837 0.300 1 175 23 23 TYR CE1 C 118.107 0.300 1 176 23 23 TYR CE2 C 118.107 0.300 1 177 23 23 TYR N N 120.809 0.300 1 178 24 24 LEU H H 8.935 0.030 1 179 24 24 LEU HA H 4.716 0.030 1 180 24 24 LEU HB2 H 0.949 0.030 1 181 24 24 LEU HB3 H 0.949 0.030 1 182 24 24 LEU HD1 H -1.064 0.030 1 183 24 24 LEU HD2 H 0.585 0.030 1 184 24 24 LEU HG H 0.938 0.030 1 185 24 24 LEU C C 174.648 0.300 1 186 24 24 LEU CA C 53.907 0.300 1 187 24 24 LEU CB C 46.078 0.300 1 188 24 24 LEU CD1 C 22.656 0.300 2 189 24 24 LEU CD2 C 24.052 0.300 2 190 24 24 LEU CG C 26.336 0.300 1 191 24 24 LEU N N 122.887 0.300 1 192 25 25 ALA H H 8.145 0.030 1 193 25 25 ALA HA H 5.477 0.030 1 194 25 25 ALA HB H 1.518 0.030 1 195 25 25 ALA C C 175.751 0.300 1 196 25 25 ALA CA C 50.719 0.300 1 197 25 25 ALA CB C 21.074 0.300 1 198 25 25 ALA N N 122.280 0.300 1 199 26 26 LYS H H 9.167 0.030 1 200 26 26 LYS HA H 5.221 0.030 1 201 26 26 LYS HB2 H 1.695 0.030 2 202 26 26 LYS HB3 H 1.593 0.030 2 203 26 26 LYS HD2 H 0.945 0.030 2 204 26 26 LYS HD3 H 1.112 0.030 2 205 26 26 LYS HE2 H 2.625 0.030 2 206 26 26 LYS HE3 H 2.554 0.030 2 207 26 26 LYS HG2 H 1.412 0.030 2 208 26 26 LYS HG3 H 1.234 0.030 2 209 26 26 LYS C C 175.421 0.300 1 210 26 26 LYS CA C 54.383 0.300 1 211 26 26 LYS CB C 36.125 0.300 1 212 26 26 LYS CD C 28.805 0.300 1 213 26 26 LYS CE C 41.060 0.300 1 214 26 26 LYS CG C 23.212 0.300 1 215 26 26 LYS N N 120.638 0.300 1 216 27 27 GLN H H 7.866 0.030 1 217 27 27 GLN HA H 3.525 0.030 1 218 27 27 GLN HB2 H 1.489 0.030 2 219 27 27 GLN HB3 H 0.198 0.030 2 220 27 27 GLN HE21 H 6.409 0.030 2 221 27 27 GLN HE22 H 6.769 0.030 2 222 27 27 GLN HG2 H 1.815 0.030 2 223 27 27 GLN HG3 H 0.735 0.030 2 224 27 27 GLN C C 177.022 0.300 1 225 27 27 GLN CA C 55.778 0.300 1 226 27 27 GLN CB C 29.864 0.300 1 227 27 27 GLN CG C 34.376 0.300 1 228 27 27 GLN N N 130.194 0.300 1 229 27 27 GLN NE2 N 109.913 0.300 1 230 28 28 GLY H H 8.565 0.030 1 231 28 28 GLY HA2 H 4.125 0.030 2 232 28 28 GLY HA3 H 4.034 0.030 2 233 28 28 GLY C C 174.030 0.300 1 234 28 28 GLY CA C 45.665 0.300 1 235 28 28 GLY N N 115.528 0.300 1 236 29 29 HIS HA H 4.355 0.030 1 237 29 29 HIS HB2 H 3.084 0.030 1 238 29 29 HIS HB3 H 3.084 0.030 1 239 29 29 HIS HD2 H 6.994 0.030 1 240 29 29 HIS HE1 H 7.485 0.030 1 241 29 29 HIS CA C 58.795 0.300 1 242 29 29 HIS CB C 31.283 0.300 1 243 29 29 HIS CD2 C 119.328 0.300 1 244 29 29 HIS CE1 C 138.728 0.300 1 245 30 30 LYS HA H 4.096 0.030 1 246 30 30 LYS HB2 H 1.814 0.030 2 247 30 30 LYS HB3 H 1.762 0.030 2 248 30 30 LYS HD2 H 1.615 0.030 1 249 30 30 LYS HD3 H 1.615 0.030 1 250 30 30 LYS HE2 H 2.946 0.030 1 251 30 30 LYS HE3 H 2.946 0.030 1 252 30 30 LYS HG2 H 1.206 0.030 1 253 30 30 LYS HG3 H 1.206 0.030 1 254 30 30 LYS CA C 57.290 0.300 1 255 30 30 LYS CB C 31.951 0.300 1 256 30 30 LYS CD C 28.920 0.300 1 257 30 30 LYS CE C 42.182 0.300 1 258 30 30 LYS CG C 25.009 0.300 1 259 31 31 ARG HA H 3.975 0.030 1 260 31 31 ARG HB2 H 1.778 0.030 1 261 31 31 ARG HB3 H 1.778 0.030 1 262 31 31 ARG HD2 H 3.085 0.030 1 263 31 31 ARG HD3 H 3.085 0.030 1 264 31 31 ARG HG2 H 1.425 0.030 2 265 31 31 ARG HG3 H 1.526 0.030 2 266 31 31 ARG CA C 55.973 0.300 1 267 31 31 ARG CB C 29.902 0.300 1 268 31 31 ARG CD C 43.283 0.300 1 269 31 31 ARG CG C 27.246 0.300 1 270 32 32 LYS HA H 4.160 0.030 1 271 32 32 LYS HB2 H 1.725 0.030 1 272 32 32 LYS HB3 H 1.725 0.030 1 273 32 32 LYS HD2 H 1.493 0.030 2 274 32 32 LYS HD3 H 1.536 0.030 2 275 32 32 LYS HE2 H 2.904 0.030 1 276 32 32 LYS HE3 H 2.904 0.030 1 277 32 32 LYS HG2 H 1.197 0.030 2 278 32 32 LYS HG3 H 1.286 0.030 2 279 32 32 LYS C C 175.678 0.300 1 280 32 32 LYS CA C 56.254 0.300 1 281 32 32 LYS CB C 31.602 0.300 1 282 32 32 LYS CD C 28.805 0.300 1 283 32 32 LYS CE C 42.212 0.300 1 284 32 32 LYS CG C 24.830 0.300 1 285 33 33 ASN H H 7.925 0.030 1 286 33 33 ASN HA H 4.799 0.030 1 287 33 33 ASN HB2 H 2.815 0.030 1 288 33 33 ASN HB3 H 2.815 0.030 1 289 33 33 ASN HD21 H 7.625 0.030 2 290 33 33 ASN HD22 H 6.961 0.030 2 291 33 33 ASN C C 174.005 0.300 1 292 33 33 ASN CA C 52.407 0.300 1 293 33 33 ASN CB C 39.879 0.300 1 294 33 33 ASN N N 116.990 0.300 1 295 33 33 ASN ND2 N 113.056 0.300 1 296 34 34 TRP H H 8.798 0.030 1 297 34 34 TRP HA H 4.755 0.030 1 298 34 34 TRP HB2 H 2.854 0.030 2 299 34 34 TRP HB3 H 2.960 0.030 2 300 34 34 TRP HD1 H 7.258 0.030 1 301 34 34 TRP HE1 H 10.084 0.030 1 302 34 34 TRP HE3 H 6.993 0.030 1 303 34 34 TRP HH2 H 6.710 0.030 1 304 34 34 TRP HZ2 H 7.203 0.030 1 305 34 34 TRP HZ3 H 6.804 0.030 1 306 34 34 TRP C C 176.090 0.300 1 307 34 34 TRP CA C 57.119 0.300 1 308 34 34 TRP CB C 30.596 0.300 1 309 34 34 TRP CD1 C 127.214 0.300 1 310 34 34 TRP CE3 C 119.448 0.300 1 311 34 34 TRP CH2 C 123.966 0.300 1 312 34 34 TRP CZ2 C 114.633 0.300 1 313 34 34 TRP CZ3 C 122.392 0.300 1 314 34 34 TRP N N 121.917 0.300 1 315 34 34 TRP NE1 N 130.722 0.300 1 316 35 35 LYS H H 8.404 0.030 1 317 35 35 LYS HA H 4.846 0.030 1 318 35 35 LYS HB2 H 1.713 0.030 1 319 35 35 LYS HB3 H 1.713 0.030 1 320 35 35 LYS HE2 H 2.981 0.030 1 321 35 35 LYS HE3 H 2.981 0.030 1 322 35 35 LYS HG2 H 1.397 0.030 1 323 35 35 LYS HG3 H 1.397 0.030 1 324 35 35 LYS C C 176.088 0.300 1 325 35 35 LYS CA C 54.418 0.300 1 326 35 35 LYS CB C 36.125 0.300 1 327 35 35 LYS CD C 29.052 0.300 1 328 35 35 LYS CE C 42.459 0.300 1 329 35 35 LYS CG C 25.081 0.300 1 330 35 35 LYS N N 120.864 0.300 1 331 36 36 VAL H H 8.977 0.030 1 332 36 36 VAL HA H 4.274 0.030 1 333 36 36 VAL HB H 2.023 0.030 1 334 36 36 VAL HG1 H 0.940 0.030 1 335 36 36 VAL HG2 H 1.035 0.030 1 336 36 36 VAL C C 176.733 0.300 1 337 36 36 VAL CA C 64.319 0.300 1 338 36 36 VAL CB C 31.602 0.300 1 339 36 36 VAL CG1 C 21.581 0.300 2 340 36 36 VAL CG2 C 22.573 0.300 2 341 36 36 VAL N N 124.314 0.300 1 342 37 37 ARG H H 9.498 0.030 1 343 37 37 ARG HA H 5.053 0.030 1 344 37 37 ARG HB2 H 1.712 0.030 2 345 37 37 ARG HB3 H 1.845 0.030 2 346 37 37 ARG HD2 H 2.927 0.030 2 347 37 37 ARG HD3 H 3.386 0.030 2 348 37 37 ARG HG2 H 1.714 0.030 2 349 37 37 ARG HG3 H 1.533 0.030 2 350 37 37 ARG C C 174.442 0.300 1 351 37 37 ARG CA C 53.272 0.300 1 352 37 37 ARG CB C 34.563 0.300 1 353 37 37 ARG CD C 43.757 0.300 1 354 37 37 ARG CG C 27.883 0.300 1 355 37 37 ARG N N 128.121 0.300 1 356 38 38 ARG H H 8.755 0.030 1 357 38 38 ARG HA H 4.626 0.030 1 358 38 38 ARG HB2 H 1.816 0.030 2 359 38 38 ARG HB3 H 1.436 0.030 2 360 38 38 ARG HD2 H 2.850 0.030 2 361 38 38 ARG HD3 H 3.046 0.030 2 362 38 38 ARG HG2 H 1.095 0.030 2 363 38 38 ARG HG3 H 0.924 0.030 2 364 38 38 ARG C C 175.514 0.300 1 365 38 38 ARG CA C 55.601 0.300 1 366 38 38 ARG CB C 32.219 0.300 1 367 38 38 ARG CD C 42.952 0.300 1 368 38 38 ARG CG C 27.900 0.300 1 369 38 38 ARG N N 121.442 0.300 1 370 39 39 PHE H H 9.865 0.030 1 371 39 39 PHE HA H 5.424 0.030 1 372 39 39 PHE HB2 H 2.754 0.030 2 373 39 39 PHE HB3 H 2.603 0.030 2 374 39 39 PHE HD1 H 7.047 0.030 1 375 39 39 PHE HD2 H 7.047 0.030 1 376 39 39 PHE HE1 H 6.805 0.030 1 377 39 39 PHE HE2 H 6.805 0.030 1 378 39 39 PHE HZ H 6.475 0.030 1 379 39 39 PHE C C 175.423 0.300 1 380 39 39 PHE CA C 57.419 0.300 1 381 39 39 PHE CB C 42.623 0.300 1 382 39 39 PHE CD1 C 131.899 0.300 1 383 39 39 PHE CD2 C 131.899 0.300 1 384 39 39 PHE CE1 C 130.677 0.300 1 385 39 39 PHE CE2 C 130.677 0.300 1 386 39 39 PHE CZ C 127.862 0.300 1 387 39 39 PHE N N 130.027 0.300 1 388 40 40 VAL H H 9.300 0.030 1 389 40 40 VAL HA H 4.846 0.030 1 390 40 40 VAL HB H 2.195 0.030 1 391 40 40 VAL HG1 H 0.899 0.030 1 392 40 40 VAL HG2 H 1.035 0.030 1 393 40 40 VAL C C 174.477 0.300 1 394 40 40 VAL CA C 62.343 0.300 1 395 40 40 VAL CB C 35.755 0.300 1 396 40 40 VAL CG1 C 21.814 0.300 2 397 40 40 VAL CG2 C 23.361 0.300 2 398 40 40 VAL N N 119.369 0.300 1 399 41 41 LEU H H 9.557 0.030 1 400 41 41 LEU HA H 5.292 0.030 1 401 41 41 LEU HB2 H 2.075 0.030 2 402 41 41 LEU HB3 H 1.544 0.030 2 403 41 41 LEU HD1 H 0.735 0.030 1 404 41 41 LEU HD2 H 1.024 0.030 1 405 41 41 LEU HG H 1.403 0.030 1 406 41 41 LEU C C 174.632 0.300 1 407 41 41 LEU CA C 53.571 0.300 1 408 41 41 LEU CB C 45.337 0.300 1 409 41 41 LEU CD1 C 26.671 0.300 2 410 41 41 LEU CD2 C 26.086 0.300 2 411 41 41 LEU CG C 27.086 0.300 1 412 41 41 LEU N N 132.121 0.300 1 413 42 42 ARG H H 9.396 0.030 1 414 42 42 ARG HA H 5.366 0.030 1 415 42 42 ARG HB2 H 1.806 0.030 2 416 42 42 ARG HB3 H 1.645 0.030 2 417 42 42 ARG HD2 H 2.944 0.030 2 418 42 42 ARG HD3 H 3.264 0.030 2 419 42 42 ARG HE H 7.075 0.030 1 420 42 42 ARG HG2 H 1.185 0.030 2 421 42 42 ARG HG3 H 1.728 0.030 2 422 42 42 ARG C C 173.997 0.300 1 423 42 42 ARG CA C 54.631 0.300 1 424 42 42 ARG CB C 35.550 0.300 1 425 42 42 ARG CD C 43.692 0.300 1 426 42 42 ARG CG C 30.905 0.300 1 427 42 42 ARG N N 128.120 0.300 1 428 42 42 ARG NE N 86.822 0.300 1 429 43 43 LYS H H 8.597 0.030 1 430 43 43 LYS HA H 4.558 0.030 1 431 43 43 LYS HB2 H 1.795 0.030 2 432 43 43 LYS HB3 H 1.594 0.030 2 433 43 43 LYS HD2 H 1.576 0.030 1 434 43 43 LYS HD3 H 1.576 0.030 1 435 43 43 LYS HE2 H 2.816 0.030 2 436 43 43 LYS HE3 H 2.926 0.030 2 437 43 43 LYS HG2 H 1.195 0.030 2 438 43 43 LYS HG3 H 1.302 0.030 2 439 43 43 LYS C C 174.648 0.300 1 440 43 43 LYS CA C 53.378 0.300 1 441 43 43 LYS CB C 37.303 0.300 1 442 43 43 LYS CD C 29.884 0.300 1 443 43 43 LYS CE C 42.067 0.300 1 444 43 43 LYS CG C 24.117 0.300 1 445 43 43 LYS N N 114.484 0.300 1 446 44 44 ASP H H 8.388 0.030 1 447 44 44 ASP HA H 4.349 0.030 1 448 44 44 ASP HB2 H 2.792 0.030 2 449 44 44 ASP HB3 H 2.874 0.030 2 450 44 44 ASP C C 173.376 0.300 1 451 44 44 ASP CA C 54.842 0.300 1 452 44 44 ASP CB C 39.991 0.300 1 453 44 44 ASP N N 115.453 0.300 1 454 45 45 PRO HA H 4.652 0.030 1 455 45 45 PRO HB2 H 2.398 0.030 2 456 45 45 PRO HB3 H 2.235 0.030 2 457 45 45 PRO HD2 H 3.514 0.030 2 458 45 45 PRO HD3 H 3.436 0.030 2 459 45 45 PRO HG2 H 1.974 0.030 2 460 45 45 PRO HG3 H 2.035 0.030 2 461 45 45 PRO C C 176.914 0.300 1 462 45 45 PRO CA C 63.490 0.300 1 463 45 45 PRO CB C 34.892 0.300 1 464 45 45 PRO CD C 50.657 0.300 1 465 45 45 PRO CG C 24.693 0.300 1 466 46 46 ALA H H 8.112 0.030 1 467 46 46 ALA HA H 5.455 0.030 1 468 46 46 ALA HB H 1.493 0.030 1 469 46 46 ALA C C 177.234 0.300 1 470 46 46 ALA CA C 51.560 0.300 1 471 46 46 ALA CB C 20.122 0.300 1 472 46 46 ALA N N 120.155 0.300 1 473 47 47 PHE H H 8.717 0.030 1 474 47 47 PHE HA H 4.795 0.030 1 475 47 47 PHE HB2 H 2.933 0.030 2 476 47 47 PHE HB3 H 2.807 0.030 2 477 47 47 PHE HD1 H 6.648 0.030 1 478 47 47 PHE HD2 H 6.648 0.030 1 479 47 47 PHE HE1 H 7.194 0.030 1 480 47 47 PHE HE2 H 7.194 0.030 1 481 47 47 PHE HZ H 7.322 0.030 1 482 47 47 PHE C C 172.588 0.300 1 483 47 47 PHE CA C 57.348 0.300 1 484 47 47 PHE CB C 47.123 0.300 1 485 47 47 PHE CD1 C 131.954 0.300 1 486 47 47 PHE CD2 C 131.954 0.300 1 487 47 47 PHE CE1 C 131.040 0.300 1 488 47 47 PHE CE2 C 131.040 0.300 1 489 47 47 PHE CZ C 129.902 0.300 1 490 47 47 PHE N N 129.946 0.300 1 491 48 48 LEU H H 7.883 0.030 1 492 48 48 LEU HA H 5.198 0.030 1 493 48 48 LEU HB2 H 1.068 0.030 2 494 48 48 LEU HB3 H 0.916 0.030 2 495 48 48 LEU HD1 H 1.196 0.030 1 496 48 48 LEU HD2 H 0.814 0.030 1 497 48 48 LEU HG H 1.411 0.030 1 498 48 48 LEU C C 173.569 0.300 1 499 48 48 LEU CA C 53.290 0.300 1 500 48 48 LEU CB C 45.502 0.300 1 501 48 48 LEU CD1 C 25.022 0.300 2 502 48 48 LEU CD2 C 25.322 0.300 2 503 48 48 LEU CG C 27.325 0.300 1 504 48 48 LEU N N 121.108 0.300 1 505 49 49 HIS H H 8.606 0.030 1 506 49 49 HIS HA H 5.035 0.030 1 507 49 49 HIS HB2 H 2.765 0.030 2 508 49 49 HIS HB3 H 2.650 0.030 2 509 49 49 HIS HD2 H 6.486 0.030 1 510 49 49 HIS HE1 H 7.047 0.030 1 511 49 49 HIS C C 173.993 0.300 1 512 49 49 HIS CA C 56.483 0.300 1 513 49 49 HIS CB C 35.919 0.300 1 514 49 49 HIS CD2 C 116.324 0.300 1 515 49 49 HIS CE1 C 138.324 0.300 1 516 49 49 HIS N N 121.199 0.300 1 517 50 50 TYR H H 7.777 0.030 1 518 50 50 TYR HA H 5.695 0.030 1 519 50 50 TYR HB2 H 1.738 0.030 2 520 50 50 TYR HB3 H 1.298 0.030 2 521 50 50 TYR HD1 H 6.265 0.030 1 522 50 50 TYR HD2 H 6.265 0.030 1 523 50 50 TYR HE1 H 6.595 0.030 1 524 50 50 TYR HE2 H 6.595 0.030 1 525 50 50 TYR C C 174.284 0.300 1 526 50 50 TYR CA C 53.430 0.300 1 527 50 50 TYR CB C 38.552 0.300 1 528 50 50 TYR CD1 C 133.737 0.300 1 529 50 50 TYR CD2 C 133.737 0.300 1 530 50 50 TYR CE1 C 117.475 0.300 1 531 50 50 TYR CE2 C 117.475 0.300 1 532 50 50 TYR N N 114.156 0.300 1 533 51 51 TYR H H 9.323 0.030 1 534 51 51 TYR HA H 4.600 0.030 1 535 51 51 TYR HB2 H 2.785 0.030 2 536 51 51 TYR HB3 H 3.118 0.030 2 537 51 51 TYR HD1 H 7.031 0.030 1 538 51 51 TYR HD2 H 7.031 0.030 1 539 51 51 TYR HE1 H 6.404 0.030 1 540 51 51 TYR HE2 H 6.404 0.030 1 541 51 51 TYR C C 175.352 0.300 1 542 51 51 TYR CA C 57.330 0.300 1 543 51 51 TYR CB C 41.683 0.300 1 544 51 51 TYR CD1 C 133.431 0.300 1 545 51 51 TYR CD2 C 133.431 0.300 1 546 51 51 TYR CE1 C 117.701 0.300 1 547 51 51 TYR CE2 C 117.701 0.300 1 548 51 51 TYR N N 119.100 0.300 1 549 52 52 ASP H H 9.375 0.030 1 550 52 52 ASP HA H 5.064 0.030 1 551 52 52 ASP HB2 H 3.089 0.030 2 552 52 52 ASP HB3 H 2.527 0.030 2 553 52 52 ASP C C 175.484 0.300 1 554 52 52 ASP CA C 51.313 0.300 1 555 52 52 ASP CB C 41.883 0.300 1 556 52 52 ASP N N 124.636 0.300 1 557 53 53 PRO HA H 4.678 0.030 1 558 53 53 PRO HB2 H 2.477 0.030 2 559 53 53 PRO HB3 H 2.250 0.030 2 560 53 53 PRO HD2 H 4.163 0.030 2 561 53 53 PRO HD3 H 4.575 0.030 2 562 53 53 PRO HG2 H 2.003 0.030 2 563 53 53 PRO HG3 H 2.196 0.030 2 564 53 53 PRO C C 176.781 0.300 1 565 53 53 PRO CA C 64.054 0.300 1 566 53 53 PRO CB C 32.589 0.300 1 567 53 53 PRO CD C 51.735 0.300 1 568 53 53 PRO CG C 27.571 0.300 1 569 54 54 SER H H 8.685 0.030 1 570 54 54 SER HA H 4.483 0.030 1 571 54 54 SER HB2 H 4.033 0.030 2 572 54 54 SER HB3 H 3.963 0.030 2 573 54 54 SER C C 174.006 0.300 1 574 54 54 SER CA C 59.378 0.300 1 575 54 54 SER CB C 64.132 0.300 1 576 54 54 SER N N 113.769 0.300 1 577 55 55 LYS H H 7.706 0.030 1 578 55 55 LYS HA H 4.580 0.030 1 579 55 55 LYS HB2 H 1.858 0.030 2 580 55 55 LYS HB3 H 1.994 0.030 2 581 55 55 LYS HD2 H 1.715 0.030 1 582 55 55 LYS HD3 H 1.715 0.030 1 583 55 55 LYS HE2 H 3.050 0.030 1 584 55 55 LYS HE3 H 3.050 0.030 1 585 55 55 LYS HG2 H 1.467 0.030 2 586 55 55 LYS HG3 H 1.376 0.030 2 587 55 55 LYS C C 175.969 0.300 1 588 55 55 LYS CA C 55.160 0.300 1 589 55 55 LYS CB C 34.069 0.300 1 590 55 55 LYS CD C 29.000 0.300 1 591 55 55 LYS CE C 42.475 0.300 1 592 55 55 LYS CG C 24.780 0.300 1 593 55 55 LYS N N 122.222 0.300 1 594 56 56 GLU H H 8.666 0.030 1 595 56 56 GLU HA H 4.174 0.030 1 596 56 56 GLU HB2 H 2.061 0.030 2 597 56 56 GLU HB3 H 1.966 0.030 2 598 56 56 GLU HG2 H 2.255 0.030 1 599 56 56 GLU HG3 H 2.255 0.030 1 600 56 56 GLU C C 177.084 0.300 1 601 56 56 GLU CA C 57.099 0.300 1 602 56 56 GLU CB C 29.694 0.300 1 603 56 56 GLU CG C 36.454 0.300 1 604 56 56 GLU N N 122.015 0.300 1 605 57 57 GLU H H 8.303 0.030 1 606 57 57 GLU HA H 4.214 0.030 1 607 57 57 GLU HB2 H 2.005 0.030 1 608 57 57 GLU HB3 H 2.005 0.030 1 609 57 57 GLU HG2 H 2.244 0.030 1 610 57 57 GLU HG3 H 2.244 0.030 1 611 57 57 GLU CA C 56.960 0.300 1 612 57 57 GLU CB C 30.264 0.300 1 613 57 57 GLU CG C 36.078 0.300 1 614 57 57 GLU N N 119.884 0.300 1 615 58 58 ASN HA H 4.768 0.030 1 616 58 58 ASN HB2 H 2.904 0.030 2 617 58 58 ASN HB3 H 2.745 0.030 2 618 58 58 ASN HD21 H 7.590 0.030 2 619 58 58 ASN HD22 H 6.802 0.030 2 620 58 58 ASN C C 174.902 0.300 1 621 58 58 ASN CA C 52.740 0.300 1 622 58 58 ASN CB C 38.116 0.300 1 623 58 58 ASN ND2 N 112.187 0.300 1 624 59 59 ARG H H 7.805 0.030 1 625 59 59 ARG HA H 4.762 0.030 1 626 59 59 ARG HB2 H 1.745 0.030 2 627 59 59 ARG HB3 H 1.645 0.030 2 628 59 59 ARG HD2 H 3.133 0.030 1 629 59 59 ARG HD3 H 3.133 0.030 1 630 59 59 ARG HG2 H 1.555 0.030 2 631 59 59 ARG HG3 H 1.528 0.030 2 632 59 59 ARG CA C 53.151 0.300 1 633 59 59 ARG CB C 31.519 0.300 1 634 59 59 ARG CD C 43.496 0.300 1 635 59 59 ARG CG C 26.754 0.300 1 636 59 59 ARG N N 121.060 0.300 1 637 60 60 PRO HA H 3.357 0.030 1 638 60 60 PRO HB2 H 1.507 0.030 2 639 60 60 PRO HB3 H 1.091 0.030 2 640 60 60 PRO HD2 H 3.499 0.030 1 641 60 60 PRO HD3 H 3.499 0.030 1 642 60 60 PRO HG2 H 1.335 0.030 2 643 60 60 PRO HG3 H 1.564 0.030 2 644 60 60 PRO C C 176.817 0.300 1 645 60 60 PRO CA C 63.031 0.300 1 646 60 60 PRO CB C 31.273 0.300 1 647 60 60 PRO CD C 50.255 0.300 1 648 60 60 PRO CG C 26.502 0.300 1 649 61 61 VAL H H 8.627 0.030 1 650 61 61 VAL HA H 3.966 0.030 1 651 61 61 VAL HB H 1.994 0.030 1 652 61 61 VAL HG1 H 1.114 0.030 1 653 61 61 VAL HG2 H 1.005 0.030 1 654 61 61 VAL C C 176.503 0.300 1 655 61 61 VAL CA C 63.154 0.300 1 656 61 61 VAL CB C 32.048 0.300 1 657 61 61 VAL CG1 C 22.322 0.300 2 658 61 61 VAL CG2 C 21.649 0.300 2 659 61 61 VAL N N 119.185 0.300 1 660 62 62 GLY H H 6.715 0.030 1 661 62 62 GLY HA2 H 3.940 0.030 2 662 62 62 GLY HA3 H 3.538 0.030 2 663 62 62 GLY C C 169.983 0.300 1 664 62 62 GLY CA C 44.465 0.300 1 665 62 62 GLY N N 105.813 0.300 1 666 63 63 GLY H H 8.004 0.030 1 667 63 63 GLY HA2 H 4.095 0.030 2 668 63 63 GLY HA3 H 3.813 0.030 2 669 63 63 GLY C C 171.870 0.300 1 670 63 63 GLY CA C 47.148 0.300 1 671 63 63 GLY N N 105.089 0.300 1 672 64 64 PHE H H 7.967 0.030 1 673 64 64 PHE HA H 4.934 0.030 1 674 64 64 PHE HB2 H 3.335 0.030 2 675 64 64 PHE HB3 H 2.941 0.030 2 676 64 64 PHE HD1 H 6.637 0.030 1 677 64 64 PHE HD2 H 6.637 0.030 1 678 64 64 PHE HE1 H 6.366 0.030 1 679 64 64 PHE HE2 H 6.366 0.030 1 680 64 64 PHE HZ H 6.357 0.030 1 681 64 64 PHE C C 173.140 0.300 1 682 64 64 PHE CA C 55.248 0.300 1 683 64 64 PHE CB C 40.238 0.300 1 684 64 64 PHE CD1 C 133.232 0.300 1 685 64 64 PHE CD2 C 133.232 0.300 1 686 64 64 PHE CE1 C 129.103 0.300 1 687 64 64 PHE CE2 C 129.103 0.300 1 688 64 64 PHE CZ C 127.418 0.300 1 689 64 64 PHE N N 113.387 0.300 1 690 65 65 SER H H 8.518 0.030 1 691 65 65 SER HA H 3.264 0.030 1 692 65 65 SER HB2 H 3.659 0.030 2 693 65 65 SER HB3 H 3.566 0.030 2 694 65 65 SER C C 176.417 0.300 1 695 65 65 SER CA C 56.819 0.300 1 696 65 65 SER CB C 63.391 0.300 1 697 65 65 SER N N 114.674 0.300 1 698 66 66 LEU H H 7.404 0.030 1 699 66 66 LEU HA H 4.470 0.030 1 700 66 66 LEU HB2 H 1.460 0.030 2 701 66 66 LEU HB3 H 1.263 0.030 2 702 66 66 LEU HD1 H 0.830 0.030 1 703 66 66 LEU HD2 H 0.844 0.030 1 704 66 66 LEU HG H 1.377 0.030 1 705 66 66 LEU C C 177.993 0.300 1 706 66 66 LEU CA C 54.242 0.300 1 707 66 66 LEU CB C 42.787 0.300 1 708 66 66 LEU CD1 C 27.818 0.300 2 709 66 66 LEU CD2 C 23.523 0.300 2 710 66 66 LEU CG C 27.282 0.300 1 711 66 66 LEU N N 123.988 0.300 1 712 67 67 ARG H H 7.865 0.030 1 713 67 67 ARG HA H 4.175 0.030 1 714 67 67 ARG HB2 H 1.795 0.030 1 715 67 67 ARG HB3 H 1.795 0.030 1 716 67 67 ARG HD2 H 3.227 0.030 1 717 67 67 ARG HD3 H 3.227 0.030 1 718 67 67 ARG HG2 H 1.615 0.030 2 719 67 67 ARG HG3 H 1.669 0.030 2 720 67 67 ARG C C 178.562 0.300 1 721 67 67 ARG CA C 58.143 0.300 1 722 67 67 ARG CB C 29.052 0.300 1 723 67 67 ARG CD C 43.363 0.300 1 724 67 67 ARG CG C 26.913 0.300 1 725 67 67 ARG N N 122.494 0.300 1 726 68 68 GLY H H 9.398 0.030 1 727 68 68 GLY HA2 H 4.066 0.030 2 728 68 68 GLY HA3 H 3.908 0.030 2 729 68 68 GLY C C 173.982 0.300 1 730 68 68 GLY CA C 46.230 0.300 1 731 68 68 GLY N N 117.548 0.300 1 732 69 69 SER H H 7.829 0.030 1 733 69 69 SER HA H 4.807 0.030 1 734 69 69 SER HB2 H 3.811 0.030 2 735 69 69 SER HB3 H 3.714 0.030 2 736 69 69 SER C C 172.854 0.300 1 737 69 69 SER CA C 59.290 0.300 1 738 69 69 SER CB C 65.366 0.300 1 739 69 69 SER N N 115.188 0.300 1 740 70 70 LEU H H 8.805 0.030 1 741 70 70 LEU HA H 4.846 0.030 1 742 70 70 LEU HB2 H 1.561 0.030 2 743 70 70 LEU HB3 H 1.516 0.030 2 744 70 70 LEU HD1 H 0.845 0.030 1 745 70 70 LEU HD2 H 0.846 0.030 1 746 70 70 LEU HG H 1.586 0.030 1 747 70 70 LEU C C 175.775 0.300 1 748 70 70 LEU CA C 53.907 0.300 1 749 70 70 LEU CB C 45.337 0.300 1 750 70 70 LEU CD1 C 25.104 0.300 2 751 70 70 LEU CD2 C 23.826 0.300 2 752 70 70 LEU CG C 26.822 0.300 1 753 70 70 LEU N N 121.265 0.300 1 754 71 71 VAL H H 8.644 0.030 1 755 71 71 VAL HA H 5.555 0.030 1 756 71 71 VAL HB H 1.955 0.030 1 757 71 71 VAL HG1 H 1.065 0.030 1 758 71 71 VAL HG2 H 1.096 0.030 1 759 71 71 VAL C C 173.636 0.300 1 760 71 71 VAL CA C 58.760 0.300 1 761 71 71 VAL CB C 34.891 0.300 1 762 71 71 VAL CG1 C 20.566 0.300 2 763 71 71 VAL CG2 C 23.048 0.300 2 764 71 71 VAL N N 122.315 0.300 1 765 72 72 SER H H 8.750 0.030 1 766 72 72 SER HA H 4.742 0.030 1 767 72 72 SER HB2 H 3.785 0.030 2 768 72 72 SER HB3 H 3.715 0.030 2 769 72 72 SER C C 173.058 0.300 1 770 72 72 SER CA C 57.190 0.300 1 771 72 72 SER CB C 65.612 0.300 1 772 72 72 SER N N 118.611 0.300 1 773 73 73 ALA H H 9.009 0.030 1 774 73 73 ALA HA H 4.406 0.030 1 775 73 73 ALA HB H 1.337 0.030 1 776 73 73 ALA C C 176.708 0.300 1 777 73 73 ALA CA C 52.672 0.300 1 778 73 73 ALA CB C 18.812 0.300 1 779 73 73 ALA N N 125.694 0.300 1 780 74 74 LEU H H 7.800 0.030 1 781 74 74 LEU HA H 4.716 0.030 1 782 74 74 LEU HB2 H 1.647 0.030 2 783 74 74 LEU HB3 H 1.505 0.030 2 784 74 74 LEU HD1 H 1.025 0.030 1 785 74 74 LEU HD2 H 0.982 0.030 1 786 74 74 LEU HG H 1.609 0.030 1 787 74 74 LEU C C 176.551 0.300 1 788 74 74 LEU CA C 53.784 0.300 1 789 74 74 LEU CB C 43.446 0.300 1 790 74 74 LEU CD1 C 25.768 0.300 2 791 74 74 LEU CD2 C 24.035 0.300 2 792 74 74 LEU CG C 27.771 0.300 1 793 74 74 LEU N N 122.271 0.300 1 794 75 75 GLU H H 8.855 0.030 1 795 75 75 GLU HA H 4.336 0.030 1 796 75 75 GLU HB2 H 2.115 0.030 2 797 75 75 GLU HB3 H 1.925 0.030 2 798 75 75 GLU HG2 H 2.364 0.030 2 799 75 75 GLU HG3 H 2.302 0.030 2 800 75 75 GLU C C 176.465 0.300 1 801 75 75 GLU CA C 56.507 0.300 1 802 75 75 GLU CB C 30.245 0.300 1 803 75 75 GLU CG C 36.125 0.300 1 804 75 75 GLU N N 122.678 0.300 1 805 76 76 ASP H H 8.542 0.030 1 806 76 76 ASP HA H 4.665 0.030 1 807 76 76 ASP HB2 H 2.784 0.030 2 808 76 76 ASP HB3 H 2.606 0.030 2 809 76 76 ASP C C 176.087 0.300 1 810 76 76 ASP CA C 55.107 0.300 1 811 76 76 ASP CB C 41.431 0.300 1 812 76 76 ASP N N 121.488 0.300 1 813 77 77 ASN H H 8.322 0.030 1 814 77 77 ASN HA H 4.729 0.030 1 815 77 77 ASN HB2 H 2.875 0.030 2 816 77 77 ASN HB3 H 2.812 0.030 2 817 77 77 ASN HD21 H 6.897 0.030 2 818 77 77 ASN HD22 H 7.599 0.030 2 819 77 77 ASN C C 175.566 0.300 1 820 77 77 ASN CA C 53.131 0.300 1 821 77 77 ASN CB C 38.617 0.300 1 822 77 77 ASN N N 118.676 0.300 1 823 77 77 ASN ND2 N 112.381 0.300 1 824 78 78 GLY H H 8.311 0.030 1 825 78 78 GLY HA2 H 3.897 0.030 1 826 78 78 GLY HA3 H 3.897 0.030 1 827 78 78 GLY C C 173.376 0.300 1 828 78 78 GLY CA C 45.224 0.300 1 829 78 78 GLY N N 108.939 0.300 1 830 79 79 VAL H H 7.882 0.030 1 831 79 79 VAL HA H 4.345 0.030 1 832 79 79 VAL HB H 1.995 0.030 1 833 79 79 VAL HG1 H 0.925 0.030 1 834 79 79 VAL HG2 H 0.866 0.030 1 835 79 79 VAL CA C 59.995 0.300 1 836 79 79 VAL CB C 32.589 0.300 1 837 79 79 VAL CG1 C 20.969 0.300 2 838 79 79 VAL CG2 C 20.566 0.300 2 839 79 79 VAL N N 121.135 0.300 1 840 80 80 PRO HA H 4.461 0.030 1 841 80 80 PRO HB2 H 2.316 0.030 2 842 80 80 PRO HB3 H 1.864 0.030 2 843 80 80 PRO HD2 H 3.533 0.030 2 844 80 80 PRO HD3 H 4.011 0.030 2 845 80 80 PRO HG2 H 1.976 0.030 1 846 80 80 PRO HG3 H 1.976 0.030 1 847 80 80 PRO C C 176.979 0.300 1 848 80 80 PRO CA C 63.101 0.300 1 849 80 80 PRO CB C 32.177 0.300 1 850 80 80 PRO CD C 51.095 0.300 1 851 80 80 PRO CG C 27.571 0.300 1 852 81 81 THR H H 8.281 0.030 1 853 81 81 THR HA H 4.095 0.030 1 854 81 81 THR HB H 3.966 0.030 1 855 81 81 THR HG2 H 1.026 0.030 1 856 81 81 THR C C 175.270 0.300 1 857 81 81 THR CA C 62.872 0.300 1 858 81 81 THR CB C 69.642 0.300 1 859 81 81 THR CG2 C 21.566 0.300 1 860 81 81 THR N N 114.684 0.300 1 861 82 82 GLY H H 8.338 0.030 1 862 82 82 GLY HA2 H 4.095 0.030 2 863 82 82 GLY HA3 H 3.668 0.030 2 864 82 82 GLY C C 174.139 0.300 1 865 82 82 GLY CA C 45.083 0.300 1 866 82 82 GLY N N 111.289 0.300 1 867 83 83 VAL H H 7.668 0.030 1 868 83 83 VAL HA H 3.985 0.030 1 869 83 83 VAL HB H 1.997 0.030 1 870 83 83 VAL HG1 H 0.874 0.030 1 871 83 83 VAL HG2 H 0.756 0.030 1 872 83 83 VAL C C 176.054 0.300 1 873 83 83 VAL CA C 62.431 0.300 1 874 83 83 VAL CB C 32.260 0.300 1 875 83 83 VAL CG1 C 21.570 0.300 2 876 83 83 VAL CG2 C 21.570 0.300 2 877 83 83 VAL N N 120.003 0.300 1 878 84 84 LYS H H 8.645 0.030 1 879 84 84 LYS HA H 4.276 0.030 1 880 84 84 LYS HB2 H 1.743 0.030 2 881 84 84 LYS HB3 H 1.817 0.030 2 882 84 84 LYS HD2 H 1.633 0.030 1 883 84 84 LYS HD3 H 1.633 0.030 1 884 84 84 LYS HE2 H 2.948 0.030 1 885 84 84 LYS HE3 H 2.948 0.030 1 886 84 84 LYS HG2 H 1.434 0.030 2 887 84 84 LYS HG3 H 1.356 0.030 2 888 84 84 LYS C C 176.832 0.300 1 889 84 84 LYS CA C 56.272 0.300 1 890 84 84 LYS CB C 32.876 0.300 1 891 84 84 LYS CD C 28.870 0.300 1 892 84 84 LYS CE C 42.294 0.300 1 893 84 84 LYS CG C 24.857 0.300 1 894 84 84 LYS N N 126.447 0.300 1 895 85 85 GLY H H 8.410 0.030 1 896 85 85 GLY HA2 H 4.066 0.030 2 897 85 85 GLY HA3 H 3.781 0.030 2 898 85 85 GLY C C 173.969 0.300 1 899 85 85 GLY CA C 45.146 0.300 1 900 85 85 GLY N N 109.957 0.300 1 901 86 86 ASN H H 8.298 0.030 1 902 86 86 ASN HA H 4.665 0.030 1 903 86 86 ASN HB2 H 2.745 0.030 2 904 86 86 ASN HB3 H 2.635 0.030 2 905 86 86 ASN HD21 H 7.337 0.030 2 906 86 86 ASN HD22 H 6.904 0.030 2 907 86 86 ASN C C 174.987 0.300 1 908 86 86 ASN CA C 52.989 0.300 1 909 86 86 ASN CB C 38.376 0.300 1 910 86 86 ASN N N 118.457 0.300 1 911 86 86 ASN ND2 N 111.848 0.300 1 912 87 87 VAL H H 7.660 0.030 1 913 87 87 VAL HA H 3.946 0.030 1 914 87 87 VAL HB H 1.745 0.030 1 915 87 87 VAL HG1 H 0.534 0.030 1 916 87 87 VAL HG2 H 0.484 0.030 1 917 87 87 VAL C C 174.902 0.300 1 918 87 87 VAL CA C 62.307 0.300 1 919 87 87 VAL CB C 32.548 0.300 1 920 87 87 VAL CG1 C 20.210 0.300 2 921 87 87 VAL CG2 C 21.025 0.300 2 922 87 87 VAL N N 120.557 0.300 1 923 88 88 GLN H H 8.115 0.030 1 924 88 88 GLN HA H 4.302 0.030 1 925 88 88 GLN HB2 H 1.914 0.030 2 926 88 88 GLN HB3 H 1.814 0.030 2 927 88 88 GLN HE21 H 7.351 0.030 2 928 88 88 GLN HE22 H 6.622 0.030 2 929 88 88 GLN HG2 H 2.176 0.030 1 930 88 88 GLN HG3 H 2.176 0.030 1 931 88 88 GLN C C 175.637 0.300 1 932 88 88 GLN CA C 55.336 0.300 1 933 88 88 GLN CB C 30.574 0.300 1 934 88 88 GLN CG C 33.610 0.300 1 935 88 88 GLN N N 122.280 0.300 1 936 88 88 GLN NE2 N 111.661 0.300 1 937 89 89 GLY H H 8.544 0.030 1 938 89 89 GLY HA2 H 3.885 0.030 1 939 89 89 GLY HA3 H 3.885 0.030 1 940 89 89 GLY C C 172.861 0.300 1 941 89 89 GLY CA C 44.889 0.300 1 942 89 89 GLY N N 110.135 0.300 1 943 90 90 ASN H H 8.451 0.030 1 944 90 90 ASN HA H 4.222 0.030 1 945 90 90 ASN HB2 H 2.981 0.030 2 946 90 90 ASN HB3 H 2.321 0.030 2 947 90 90 ASN HD21 H 7.184 0.030 2 948 90 90 ASN HD22 H 6.604 0.030 2 949 90 90 ASN C C 174.926 0.300 1 950 90 90 ASN CA C 54.613 0.300 1 951 90 90 ASN CB C 37.852 0.300 1 952 90 90 ASN N N 114.322 0.300 1 953 90 90 ASN ND2 N 112.635 0.300 1 954 91 91 LEU H H 8.933 0.030 1 955 91 91 LEU HA H 5.367 0.030 1 956 91 91 LEU HB2 H 1.975 0.030 2 957 91 91 LEU HB3 H 1.465 0.030 2 958 91 91 LEU HD1 H 0.872 0.030 1 959 91 91 LEU HD2 H 0.714 0.030 1 960 91 91 LEU HG H 1.586 0.030 1 961 91 91 LEU C C 178.732 0.300 1 962 91 91 LEU CA C 55.160 0.300 1 963 91 91 LEU CB C 45.461 0.300 1 964 91 91 LEU CD1 C 26.004 0.300 2 965 91 91 LEU CD2 C 25.486 0.300 2 966 91 91 LEU CG C 27.865 0.300 1 967 91 91 LEU N N 120.057 0.300 1 968 92 92 PHE H H 9.901 0.030 1 969 92 92 PHE HA H 5.105 0.030 1 970 92 92 PHE HB2 H 3.072 0.030 2 971 92 92 PHE HB3 H 2.904 0.030 2 972 92 92 PHE HD1 H 6.875 0.030 1 973 92 92 PHE HD2 H 6.875 0.030 1 974 92 92 PHE HE1 H 6.686 0.030 1 975 92 92 PHE HE2 H 6.686 0.030 1 976 92 92 PHE HZ H 6.418 0.030 1 977 92 92 PHE C C 170.140 0.300 1 978 92 92 PHE CA C 56.236 0.300 1 979 92 92 PHE CB C 42.664 0.300 1 980 92 92 PHE CD1 C 132.787 0.300 1 981 92 92 PHE CD2 C 132.787 0.300 1 982 92 92 PHE CE1 C 129.757 0.300 1 983 92 92 PHE CE2 C 129.757 0.300 1 984 92 92 PHE CZ C 129.209 0.300 1 985 92 92 PHE N N 119.740 0.300 1 986 93 93 LYS H H 9.154 0.030 1 987 93 93 LYS HA H 5.584 0.030 1 988 93 93 LYS HB2 H 1.423 0.030 2 989 93 93 LYS HB3 H 1.256 0.030 2 990 93 93 LYS HD2 H 1.514 0.030 2 991 93 93 LYS HD3 H 1.473 0.030 2 992 93 93 LYS HE2 H 2.578 0.030 2 993 93 93 LYS HG2 H 1.126 0.030 2 994 93 93 LYS HG3 H 0.950 0.030 2 995 93 93 LYS C C 174.830 0.300 1 996 93 93 LYS CA C 53.148 0.300 1 997 93 93 LYS CB C 36.660 0.300 1 998 93 93 LYS CD C 30.157 0.300 1 999 93 93 LYS CE C 41.883 0.300 1 1000 93 93 LYS CG C 23.870 0.300 1 1001 93 93 LYS N N 117.710 0.300 1 1002 94 94 VAL H H 8.507 0.030 1 1003 94 94 VAL HA H 4.872 0.030 1 1004 94 94 VAL HB H 1.784 0.030 1 1005 94 94 VAL HG1 H 0.876 0.030 1 1006 94 94 VAL HG2 H 0.954 0.030 1 1007 94 94 VAL C C 174.408 0.300 1 1008 94 94 VAL CA C 60.525 0.300 1 1009 94 94 VAL CB C 34.862 0.300 1 1010 94 94 VAL CG1 C 21.569 0.300 2 1011 94 94 VAL CG2 C 21.316 0.300 2 1012 94 94 VAL N N 121.741 0.300 1 1013 95 95 ILE H H 8.959 0.030 1 1014 95 95 ILE HA H 4.794 0.030 1 1015 95 95 ILE HB H 1.500 0.030 1 1016 95 95 ILE HD1 H 0.556 0.030 1 1017 95 95 ILE HG12 H -0.161 0.030 2 1018 95 95 ILE HG13 H 1.086 0.030 2 1019 95 95 ILE HG2 H 0.684 0.030 1 1020 95 95 ILE C C 177.642 0.300 1 1021 95 95 ILE CA C 59.713 0.300 1 1022 95 95 ILE CB C 40.032 0.300 1 1023 95 95 ILE CD1 C 14.503 0.300 1 1024 95 95 ILE CG1 C 26.550 0.300 1 1025 95 95 ILE CG2 C 17.126 0.300 1 1026 95 95 ILE N N 126.794 0.300 1 1027 96 96 THR H H 8.765 0.030 1 1028 96 96 THR HA H 4.584 0.030 1 1029 96 96 THR HB H 4.600 0.030 1 1030 96 96 THR HG2 H 0.922 0.030 1 1031 96 96 THR C C 177.023 0.300 1 1032 96 96 THR CA C 61.372 0.300 1 1033 96 96 THR CB C 70.794 0.300 1 1034 96 96 THR CG2 C 23.130 0.300 1 1035 96 96 THR N N 117.225 0.300 1 1036 97 97 LYS H H 8.736 0.030 1 1037 97 97 LYS HA H 4.101 0.030 1 1038 97 97 LYS HB2 H 1.998 0.030 2 1039 97 97 LYS HB3 H 1.878 0.030 2 1040 97 97 LYS HD2 H 1.695 0.030 1 1041 97 97 LYS HD3 H 1.695 0.030 1 1042 97 97 LYS HE2 H 3.038 0.030 1 1043 97 97 LYS HE3 H 3.038 0.030 1 1044 97 97 LYS HG2 H 1.535 0.030 2 1045 97 97 LYS HG3 H 1.455 0.030 2 1046 97 97 LYS C C 176.490 0.300 1 1047 97 97 LYS CA C 58.583 0.300 1 1048 97 97 LYS CB C 31.848 0.300 1 1049 97 97 LYS CD C 29.099 0.300 1 1050 97 97 LYS CE C 42.212 0.300 1 1051 97 97 LYS CG C 24.199 0.300 1 1052 97 97 LYS N N 120.457 0.300 1 1053 98 98 ASP H H 7.762 0.030 1 1054 98 98 ASP HA H 4.633 0.030 1 1055 98 98 ASP HB2 H 2.833 0.030 2 1056 98 98 ASP HB3 H 2.644 0.030 2 1057 98 98 ASP C C 175.270 0.300 1 1058 98 98 ASP CA C 53.272 0.300 1 1059 98 98 ASP CB C 39.909 0.300 1 1060 98 98 ASP N N 116.281 0.300 1 1061 99 99 ASP H H 8.340 0.030 1 1062 99 99 ASP HA H 4.245 0.030 1 1063 99 99 ASP HB2 H 3.124 0.030 2 1064 99 99 ASP HB3 H 2.517 0.030 2 1065 99 99 ASP C C 175.315 0.300 1 1066 99 99 ASP CA C 55.989 0.300 1 1067 99 99 ASP CB C 39.827 0.300 1 1068 99 99 ASP N N 116.687 0.300 1 1069 100 100 THR H H 7.511 0.030 1 1070 100 100 THR HA H 4.185 0.030 1 1071 100 100 THR HB H 3.986 0.030 1 1072 100 100 THR HG2 H 0.694 0.030 1 1073 100 100 THR C C 173.376 0.300 1 1074 100 100 THR CA C 63.489 0.300 1 1075 100 100 THR CB C 67.909 0.300 1 1076 100 100 THR CG2 C 21.819 0.300 1 1077 100 100 THR N N 116.525 0.300 1 1078 101 101 HIS H H 8.753 0.030 1 1079 101 101 HIS HA H 4.898 0.030 1 1080 101 101 HIS HB2 H 3.035 0.030 2 1081 101 101 HIS HB3 H 2.295 0.030 2 1082 101 101 HIS HD2 H 6.756 0.030 1 1083 101 101 HIS HE1 H 7.687 0.030 1 1084 101 101 HIS C C 174.345 0.300 1 1085 101 101 HIS CA C 55.072 0.300 1 1086 101 101 HIS CB C 32.835 0.300 1 1087 101 101 HIS CD2 C 119.046 0.300 1 1088 101 101 HIS CE1 C 137.746 0.300 1 1089 101 101 HIS N N 125.953 0.300 1 1090 102 102 TYR H H 9.023 0.030 1 1091 102 102 TYR HA H 4.545 0.030 1 1092 102 102 TYR HB2 H 2.624 0.030 2 1093 102 102 TYR HB3 H 2.418 0.030 2 1094 102 102 TYR HD1 H 6.556 0.030 1 1095 102 102 TYR HD2 H 6.556 0.030 1 1096 102 102 TYR HE1 H 6.394 0.030 1 1097 102 102 TYR HE2 H 6.394 0.030 1 1098 102 102 TYR C C 174.126 0.300 1 1099 102 102 TYR CA C 57.260 0.300 1 1100 102 102 TYR CB C 40.381 0.300 1 1101 102 102 TYR CD1 C 132.223 0.300 1 1102 102 102 TYR CD2 C 132.223 0.300 1 1103 102 102 TYR CE1 C 118.212 0.300 1 1104 102 102 TYR CE2 C 118.212 0.300 1 1105 102 102 TYR N N 121.975 0.300 1 1106 103 103 TYR H H 8.899 0.030 1 1107 103 103 TYR HA H 4.729 0.030 1 1108 103 103 TYR HB2 H 2.690 0.030 2 1109 103 103 TYR HB3 H 2.651 0.030 2 1110 103 103 TYR HD1 H 6.908 0.030 1 1111 103 103 TYR HD2 H 6.908 0.030 1 1112 103 103 TYR HE1 H 6.747 0.030 1 1113 103 103 TYR HE2 H 6.747 0.030 1 1114 103 103 TYR C C 174.139 0.300 1 1115 103 103 TYR CA C 58.036 0.300 1 1116 103 103 TYR CB C 40.485 0.300 1 1117 103 103 TYR CD1 C 133.082 0.300 1 1118 103 103 TYR CD2 C 133.082 0.300 1 1119 103 103 TYR CE1 C 118.028 0.300 1 1120 103 103 TYR CE2 C 118.028 0.300 1 1121 103 103 TYR N N 122.012 0.300 1 1122 104 104 ILE H H 8.605 0.030 1 1123 104 104 ILE HA H 4.859 0.030 1 1124 104 104 ILE HB H -0.249 0.030 1 1125 104 104 ILE HD1 H 0.205 0.030 1 1126 104 104 ILE HG12 H 0.982 0.030 2 1127 104 104 ILE HG13 H 0.440 0.030 2 1128 104 104 ILE HG2 H 0.031 0.030 1 1129 104 104 ILE C C 172.769 0.300 1 1130 104 104 ILE CA C 59.554 0.300 1 1131 104 104 ILE CB C 40.631 0.300 1 1132 104 104 ILE CD1 C 12.913 0.300 1 1133 104 104 ILE CG1 C 27.366 0.300 1 1134 104 104 ILE CG2 C 21.567 0.300 1 1135 104 104 ILE N N 123.443 0.300 1 1136 105 105 GLN H H 9.369 0.030 1 1137 105 105 GLN HA H 4.895 0.030 1 1138 105 105 GLN HB2 H 1.884 0.030 2 1139 105 105 GLN HB3 H 1.204 0.030 2 1140 105 105 GLN HE21 H 6.226 0.030 2 1141 105 105 GLN HE22 H 7.205 0.030 2 1142 105 105 GLN HG2 H 2.296 0.030 2 1143 105 105 GLN HG3 H 2.205 0.030 2 1144 105 105 GLN C C 175.642 0.300 1 1145 105 105 GLN CA C 54.965 0.300 1 1146 105 105 GLN CB C 32.856 0.300 1 1147 105 105 GLN CG C 33.987 0.300 1 1148 105 105 GLN N N 125.079 0.300 1 1149 105 105 GLN NE2 N 111.670 0.300 1 1150 106 106 ALA H H 8.513 0.030 1 1151 106 106 ALA HA H 4.962 0.030 1 1152 106 106 ALA HB H 1.716 0.030 1 1153 106 106 ALA C C 175.854 0.300 1 1154 106 106 ALA CA C 50.272 0.300 1 1155 106 106 ALA CB C 21.197 0.300 1 1156 106 106 ALA N N 129.303 0.300 1 1157 107 107 SER H H 9.468 0.030 1 1158 107 107 SER HA H 4.447 0.030 1 1159 107 107 SER HB2 H 4.107 0.030 2 1160 107 107 SER HB3 H 4.003 0.030 2 1161 107 107 SER C C 173.785 0.300 1 1162 107 107 SER CA C 60.048 0.300 1 1163 107 107 SER CB C 64.643 0.300 1 1164 107 107 SER N N 112.962 0.300 1 1165 108 108 SER H H 7.555 0.030 1 1166 108 108 SER HA H 4.665 0.030 1 1167 108 108 SER HB2 H 4.251 0.030 2 1168 108 108 SER HB3 H 4.088 0.030 2 1169 108 108 SER C C 174.381 0.300 1 1170 108 108 SER CA C 56.907 0.300 1 1171 108 108 SER CB C 66.370 0.300 1 1172 108 108 SER N N 112.243 0.300 1 1173 109 109 LYS H H 8.978 0.030 1 1174 109 109 LYS HA H 4.777 0.030 1 1175 109 109 LYS HB2 H 1.901 0.030 1 1176 109 109 LYS HB3 H 1.901 0.030 1 1177 109 109 LYS HE2 H 3.049 0.030 1 1178 109 109 LYS HE3 H 3.049 0.030 1 1179 109 109 LYS HG2 H 1.697 0.030 2 1180 109 109 LYS HG3 H 1.491 0.030 2 1181 109 109 LYS C C 179.992 0.300 1 1182 109 109 LYS CA C 59.766 0.300 1 1183 109 109 LYS CB C 32.342 0.300 1 1184 109 109 LYS CD C 29.299 0.300 1 1185 109 109 LYS CE C 42.130 0.300 1 1186 109 109 LYS CG C 25.597 0.300 1 1187 109 109 LYS N N 123.170 0.300 1 1188 110 110 ALA H H 8.608 0.030 1 1189 110 110 ALA HA H 4.178 0.030 1 1190 110 110 ALA HB H 1.424 0.030 1 1191 110 110 ALA C C 179.895 0.300 1 1192 110 110 ALA CA C 54.871 0.300 1 1193 110 110 ALA CB C 18.065 0.300 1 1194 110 110 ALA N N 123.750 0.300 1 1195 111 111 GLU H H 8.185 0.030 1 1196 111 111 GLU HA H 4.180 0.030 1 1197 111 111 GLU HB2 H 2.229 0.030 1 1198 111 111 GLU HB3 H 2.229 0.030 1 1199 111 111 GLU HG2 H 2.599 0.030 2 1200 111 111 GLU HG3 H 2.406 0.030 2 1201 111 111 GLU C C 178.587 0.300 1 1202 111 111 GLU CA C 59.466 0.300 1 1203 111 111 GLU CB C 31.067 0.300 1 1204 111 111 GLU CG C 38.428 0.300 1 1205 111 111 GLU N N 119.757 0.300 1 1206 112 112 ARG H H 8.008 0.030 1 1207 112 112 ARG HA H 3.642 0.030 1 1208 112 112 ARG HB2 H 2.266 0.030 2 1209 112 112 ARG HB3 H 1.657 0.030 2 1210 112 112 ARG HD2 H 2.755 0.030 2 1211 112 112 ARG HD3 H 3.306 0.030 2 1212 112 112 ARG HG2 H 1.432 0.030 1 1213 112 112 ARG HG3 H 1.432 0.030 1 1214 112 112 ARG C C 176.481 0.300 1 1215 112 112 ARG CA C 60.419 0.300 1 1216 112 112 ARG CB C 29.957 0.300 1 1217 112 112 ARG CD C 44.721 0.300 1 1218 112 112 ARG CG C 26.209 0.300 1 1219 112 112 ARG N N 118.430 0.300 1 1220 113 113 ALA H H 7.985 0.030 1 1221 113 113 ALA HA H 3.925 0.030 1 1222 113 113 ALA HB H 1.505 0.030 1 1223 113 113 ALA C C 180.117 0.300 1 1224 113 113 ALA CA C 55.372 0.300 1 1225 113 113 ALA CB C 17.825 0.300 1 1226 113 113 ALA N N 119.980 0.300 1 1227 114 114 GLU H H 8.093 0.030 1 1228 114 114 GLU HA H 3.936 0.030 1 1229 114 114 GLU HB2 H 2.199 0.030 2 1230 114 114 GLU HB3 H 1.741 0.030 2 1231 114 114 GLU HG2 H 2.115 0.030 2 1232 114 114 GLU HG3 H 2.451 0.030 2 1233 114 114 GLU C C 180.586 0.300 1 1234 114 114 GLU CA C 59.148 0.300 1 1235 114 114 GLU CB C 30.080 0.300 1 1236 114 114 GLU CG C 36.454 0.300 1 1237 114 114 GLU N N 117.168 0.300 1 1238 115 115 TRP H H 7.980 0.030 1 1239 115 115 TRP HA H 3.775 0.030 1 1240 115 115 TRP HB2 H 2.766 0.030 2 1241 115 115 TRP HB3 H 2.844 0.030 2 1242 115 115 TRP HD1 H 7.469 0.030 1 1243 115 115 TRP HE1 H 10.955 0.030 1 1244 115 115 TRP HE3 H 7.348 0.030 1 1245 115 115 TRP HH2 H 6.848 0.030 1 1246 115 115 TRP HZ2 H 6.955 0.030 1 1247 115 115 TRP HZ3 H 6.864 0.030 1 1248 115 115 TRP C C 177.714 0.300 1 1249 115 115 TRP CA C 62.696 0.300 1 1250 115 115 TRP CB C 29.052 0.300 1 1251 115 115 TRP CD1 C 126.862 0.300 1 1252 115 115 TRP CE3 C 118.690 0.300 1 1253 115 115 TRP CH2 C 123.651 0.300 1 1254 115 115 TRP CZ2 C 113.911 0.300 1 1255 115 115 TRP CZ3 C 121.060 0.300 1 1256 115 115 TRP N N 120.974 0.300 1 1257 115 115 TRP NE1 N 130.381 0.300 1 1258 116 116 ILE H H 8.297 0.030 1 1259 116 116 ILE HA H 3.270 0.030 1 1260 116 116 ILE HB H 1.674 0.030 1 1261 116 116 ILE HD1 H 0.664 0.030 1 1262 116 116 ILE HG12 H 0.370 0.030 2 1263 116 116 ILE HG13 H 1.215 0.030 2 1264 116 116 ILE HG2 H 0.764 0.030 1 1265 116 116 ILE C C 177.568 0.300 1 1266 116 116 ILE CA C 66.643 0.300 1 1267 116 116 ILE CB C 37.606 0.300 1 1268 116 116 ILE CD1 C 14.905 0.300 1 1269 116 116 ILE CG1 C 28.843 0.300 1 1270 116 116 ILE CG2 C 16.553 0.300 1 1271 116 116 ILE N N 118.408 0.300 1 1272 117 117 GLU H H 8.026 0.030 1 1273 117 117 GLU HA H 3.880 0.030 1 1274 117 117 GLU HB2 H 1.922 0.030 2 1275 117 117 GLU HB3 H 1.982 0.030 2 1276 117 117 GLU HG2 H 2.254 0.030 1 1277 117 117 GLU HG3 H 2.254 0.030 1 1278 117 117 GLU C C 178.476 0.300 1 1279 117 117 GLU CA C 59.219 0.300 1 1280 117 117 GLU CB C 29.381 0.300 1 1281 117 117 GLU CG C 35.961 0.300 1 1282 117 117 GLU N N 117.096 0.300 1 1283 118 118 ALA H H 7.555 0.030 1 1284 118 118 ALA HA H 3.952 0.030 1 1285 118 118 ALA HB H 1.092 0.030 1 1286 118 118 ALA C C 179.862 0.300 1 1287 118 118 ALA CA C 54.772 0.300 1 1288 118 118 ALA CB C 18.277 0.300 1 1289 118 118 ALA N N 119.817 0.300 1 1290 119 119 ILE H H 8.167 0.030 1 1291 119 119 ILE HA H 3.558 0.030 1 1292 119 119 ILE HB H 1.884 0.030 1 1293 119 119 ILE HD1 H 1.008 0.030 1 1294 119 119 ILE HG12 H 2.304 0.030 2 1295 119 119 ILE HG13 H 0.974 0.030 2 1296 119 119 ILE HG2 H 0.886 0.030 1 1297 119 119 ILE C C 178.564 0.300 1 1298 119 119 ILE CA C 65.766 0.300 1 1299 119 119 ILE CB C 38.840 0.300 1 1300 119 119 ILE CD1 C 14.329 0.300 1 1301 119 119 ILE CG1 C 30.837 0.300 1 1302 119 119 ILE CG2 C 18.058 0.300 1 1303 119 119 ILE N N 116.280 0.300 1 1304 120 120 LYS H H 8.790 0.030 1 1305 120 120 LYS HA H 3.965 0.030 1 1306 120 120 LYS HB2 H 1.887 0.030 2 1307 120 120 LYS HB3 H 1.826 0.030 2 1308 120 120 LYS HD2 H 1.625 0.030 1 1309 120 120 LYS HD3 H 1.625 0.030 1 1310 120 120 LYS HE2 H 2.945 0.030 2 1311 120 120 LYS HE3 H 2.895 0.030 2 1312 120 120 LYS HG2 H 1.404 0.030 2 1313 120 120 LYS HG3 H 1.584 0.030 2 1314 120 120 LYS C C 179.673 0.300 1 1315 120 120 LYS CA C 60.031 0.300 1 1316 120 120 LYS CB C 32.547 0.300 1 1317 120 120 LYS CD C 29.710 0.300 1 1318 120 120 LYS CE C 41.886 0.300 1 1319 120 120 LYS CG C 25.844 0.300 1 1320 120 120 LYS N N 119.650 0.300 1 1321 121 121 LYS H H 7.594 0.030 1 1322 121 121 LYS HA H 4.095 0.030 1 1323 121 121 LYS HB2 H 1.904 0.030 1 1324 121 121 LYS HB3 H 1.904 0.030 1 1325 121 121 LYS HD2 H 1.699 0.030 1 1326 121 121 LYS HD3 H 1.699 0.030 1 1327 121 121 LYS HE2 H 2.951 0.030 1 1328 121 121 LYS HE3 H 2.951 0.030 1 1329 121 121 LYS HG2 H 1.495 0.030 2 1330 121 121 LYS HG3 H 1.647 0.030 2 1331 121 121 LYS C C 177.962 0.300 1 1332 121 121 LYS CA C 58.848 0.300 1 1333 121 121 LYS CB C 32.547 0.300 1 1334 121 121 LYS CD C 29.099 0.300 1 1335 121 121 LYS CE C 42.136 0.300 1 1336 121 121 LYS CG C 25.433 0.300 1 1337 121 121 LYS N N 117.197 0.300 1 1338 122 122 LEU H H 7.586 0.030 1 1339 122 122 LEU HA H 4.535 0.030 1 1340 122 122 LEU HB2 H 1.855 0.030 2 1341 122 122 LEU HB3 H 1.725 0.030 2 1342 122 122 LEU HD1 H 0.919 0.030 1 1343 122 122 LEU HD2 H 0.884 0.030 1 1344 122 122 LEU HG H 1.812 0.030 1 1345 122 122 LEU C C 177.902 0.300 1 1346 122 122 LEU CA C 55.071 0.300 1 1347 122 122 LEU CB C 42.888 0.300 1 1348 122 122 LEU CD1 C 23.130 0.300 2 1349 122 122 LEU CD2 C 26.336 0.300 2 1350 122 122 LEU CG C 26.810 0.300 1 1351 122 122 LEU N N 116.861 0.300 1 1352 123 123 THR H H 7.636 0.030 1 1353 123 123 THR HA H 4.445 0.030 1 1354 123 123 THR HB H 4.602 0.030 1 1355 123 123 THR HG2 H 1.295 0.030 1 1356 123 123 THR C C 175.714 0.300 1 1357 123 123 THR CA C 62.643 0.300 1 1358 123 123 THR CB C 70.259 0.300 1 1359 123 123 THR CG2 C 22.175 0.300 1 1360 123 123 THR N N 108.963 0.300 1 1361 124 124 SER H H 7.912 0.030 1 1362 124 124 SER HA H 4.626 0.030 1 1363 124 124 SER HB2 H 3.965 0.030 1 1364 124 124 SER HB3 H 3.965 0.030 1 1365 124 124 SER C C 174.405 0.300 1 1366 124 124 SER CA C 58.390 0.300 1 1367 124 124 SER CB C 64.255 0.300 1 1368 124 124 SER N N 116.876 0.300 1 1369 125 125 GLY H H 8.307 0.030 1 1370 125 125 GLY HA2 H 4.166 0.030 1 1371 125 125 GLY HA3 H 4.166 0.030 1 1372 125 125 GLY C C 171.921 0.300 1 1373 125 125 GLY CA C 44.748 0.300 1 1374 125 125 GLY N N 110.006 0.300 1 1375 126 126 PRO HA H 4.510 0.030 1 1376 126 126 PRO HB2 H 2.324 0.030 2 1377 126 126 PRO HB3 H 2.010 0.030 2 1378 126 126 PRO HD2 H 3.668 0.030 1 1379 126 126 PRO HD3 H 3.668 0.030 1 1380 126 126 PRO HG2 H 2.044 0.030 1 1381 126 126 PRO HG3 H 2.044 0.030 1 1382 126 126 PRO C C 177.471 0.300 1 1383 126 126 PRO CA C 63.419 0.300 1 1384 126 126 PRO CB C 32.106 0.300 1 1385 126 126 PRO CD C 49.861 0.300 1 1386 126 126 PRO CG C 27.160 0.300 1 1387 127 127 SER H H 8.607 0.030 1 1388 127 127 SER C C 174.628 0.300 1 1389 127 127 SER CA C 58.513 0.300 1 1390 127 127 SER CB C 63.679 0.300 1 1391 127 127 SER N N 116.390 0.300 1 1392 128 128 SER H H 8.272 0.030 1 1393 128 128 SER HA H 4.496 0.030 1 1394 128 128 SER C C 173.921 0.300 1 1395 128 128 SER CA C 58.442 0.300 1 1396 128 128 SER CB C 64.173 0.300 1 1397 128 128 SER N N 117.506 0.300 1 1398 129 129 GLY H H 8.048 0.030 1 1399 129 129 GLY HA2 H 3.769 0.030 2 1400 129 129 GLY HA3 H 3.812 0.030 2 1401 129 129 GLY C C 178.974 0.300 1 1402 129 129 GLY CA C 46.195 0.300 1 1403 129 129 GLY N N 116.749 0.300 1 stop_ save_