data_10313 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of PIP2-dependent ARF1 GTPase-activating protein from human ; _BMRB_accession_number 10313 _BMRB_flat_file_name bmr10313.str _Entry_type new _Submission_date 2009-03-11 _Accession_date 2009-03-11 _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. . . 7 RIKEN Structural . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 645 "13C chemical shifts" 477 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 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 PIP2-dependent ARF1 GTPase-activating protein 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 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 '130-kDa phosphatidylinositol 4,5-biphosphate-dependent ARF1 GTPase-activating protein' _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 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSSGSSGYGSEKKGYLLKKS DGIRKVWQRRKCSVKNGILT ISHATSNRQPAKLNLLTCQV KPNAEDKKSFDLISHNRTYH FQAEDEQDYVAWISVLTNSK EEALTMAFSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 TYR 9 GLY 10 SER 11 GLU 12 LYS 13 LYS 14 GLY 15 TYR 16 LEU 17 LEU 18 LYS 19 LYS 20 SER 21 ASP 22 GLY 23 ILE 24 ARG 25 LYS 26 VAL 27 TRP 28 GLN 29 ARG 30 ARG 31 LYS 32 CYS 33 SER 34 VAL 35 LYS 36 ASN 37 GLY 38 ILE 39 LEU 40 THR 41 ILE 42 SER 43 HIS 44 ALA 45 THR 46 SER 47 ASN 48 ARG 49 GLN 50 PRO 51 ALA 52 LYS 53 LEU 54 ASN 55 LEU 56 LEU 57 THR 58 CYS 59 GLN 60 VAL 61 LYS 62 PRO 63 ASN 64 ALA 65 GLU 66 ASP 67 LYS 68 LYS 69 SER 70 PHE 71 ASP 72 LEU 73 ILE 74 SER 75 HIS 76 ASN 77 ARG 78 THR 79 TYR 80 HIS 81 PHE 82 GLN 83 ALA 84 GLU 85 ASP 86 GLU 87 GLN 88 ASP 89 TYR 90 VAL 91 ALA 92 TRP 93 ILE 94 SER 95 VAL 96 LEU 97 THR 98 ASN 99 SER 100 LYS 101 GLU 102 GLU 103 ALA 104 LEU 105 THR 106 MET 107 ALA 108 PHE 109 SER 110 GLY 111 PRO 112 SER 113 SER 114 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 2DA0 "Solution Structure Of The Ph Domain Of Pip2-Dependent Arf1 Gtpase-Activating Protein From Human" 100.00 114 100.00 100.00 4.07e-78 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' . . . . pladmid P050801-06 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 1.18 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 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.932 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 'Guntert, 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_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name '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 HA H 4.390 0.030 1 2 6 6 SER HB2 H 3.802 0.030 2 3 6 6 SER HB3 H 3.872 0.030 2 4 6 6 SER C C 175.117 0.300 1 5 6 6 SER CA C 58.995 0.300 1 6 6 6 SER CB C 63.715 0.300 1 7 7 7 GLY H H 8.260 0.030 1 8 7 7 GLY HA2 H 3.822 0.030 2 9 7 7 GLY HA3 H 3.792 0.030 2 10 7 7 GLY C C 174.085 0.300 1 11 7 7 GLY CA C 45.368 0.300 1 12 7 7 GLY N N 110.173 0.300 1 13 8 8 TYR H H 7.996 0.030 1 14 8 8 TYR HA H 4.342 0.030 1 15 8 8 TYR HB2 H 3.040 0.030 2 16 8 8 TYR HB3 H 2.603 0.030 2 17 8 8 TYR HD1 H 7.105 0.030 1 18 8 8 TYR HD2 H 7.105 0.030 1 19 8 8 TYR HE1 H 6.744 0.030 1 20 8 8 TYR HE2 H 6.744 0.030 1 21 8 8 TYR C C 176.296 0.300 1 22 8 8 TYR CA C 59.153 0.300 1 23 8 8 TYR CB C 39.538 0.300 1 24 8 8 TYR CD1 C 133.232 0.300 1 25 8 8 TYR CD2 C 133.232 0.300 1 26 8 8 TYR CE1 C 118.084 0.300 1 27 8 8 TYR CE2 C 118.084 0.300 1 28 8 8 TYR N N 118.435 0.300 1 29 9 9 GLY H H 8.247 0.030 1 30 9 9 GLY HA2 H 3.991 0.030 1 31 9 9 GLY HA3 H 3.991 0.030 1 32 9 9 GLY C C 173.550 0.300 1 33 9 9 GLY CA C 45.200 0.300 1 34 9 9 GLY N N 107.981 0.300 1 35 10 10 SER H H 8.713 0.030 1 36 10 10 SER HA H 4.633 0.030 1 37 10 10 SER HB2 H 3.892 0.030 2 38 10 10 SER HB3 H 3.559 0.030 2 39 10 10 SER C C 173.022 0.300 1 40 10 10 SER CA C 57.731 0.300 1 41 10 10 SER CB C 63.777 0.300 1 42 10 10 SER N N 113.548 0.300 1 43 11 11 GLU H H 7.736 0.030 1 44 11 11 GLU HA H 4.900 0.030 1 45 11 11 GLU HB2 H 1.989 0.030 2 46 11 11 GLU HB3 H 1.922 0.030 2 47 11 11 GLU HG2 H 2.278 0.030 2 48 11 11 GLU HG3 H 2.214 0.030 2 49 11 11 GLU C C 174.730 0.300 1 50 11 11 GLU CA C 54.518 0.300 1 51 11 11 GLU CB C 33.538 0.300 1 52 11 11 GLU CG C 36.127 0.300 1 53 11 11 GLU N N 120.003 0.300 1 54 12 12 LYS H H 7.840 0.030 1 55 12 12 LYS HA H 4.215 0.030 1 56 12 12 LYS HB2 H 1.518 0.030 2 57 12 12 LYS HB3 H 0.720 0.030 2 58 12 12 LYS HD2 H -0.672 0.030 2 59 12 12 LYS HD3 H 0.671 0.030 2 60 12 12 LYS HE2 H 1.662 0.030 2 61 12 12 LYS HE3 H 1.496 0.030 2 62 12 12 LYS HG2 H -0.048 0.030 2 63 12 12 LYS HG3 H 0.992 0.030 2 64 12 12 LYS C C 172.678 0.300 1 65 12 12 LYS CA C 56.818 0.300 1 66 12 12 LYS CB C 37.209 0.300 1 67 12 12 LYS CD C 28.956 0.300 1 68 12 12 LYS CE C 40.648 0.300 1 69 12 12 LYS CG C 25.388 0.300 1 70 12 12 LYS N N 121.840 0.300 1 71 13 13 LYS H H 8.469 0.030 1 72 13 13 LYS HA H 5.133 0.030 1 73 13 13 LYS HB2 H 1.803 0.030 2 74 13 13 LYS HB3 H 1.732 0.030 2 75 13 13 LYS HD2 H 1.593 0.030 1 76 13 13 LYS HD3 H 1.593 0.030 1 77 13 13 LYS HE2 H 2.938 0.030 1 78 13 13 LYS HE3 H 2.938 0.030 1 79 13 13 LYS HG2 H 1.468 0.030 2 80 13 13 LYS HG3 H 1.402 0.030 2 81 13 13 LYS C C 175.694 0.300 1 82 13 13 LYS CA C 55.115 0.300 1 83 13 13 LYS CB C 35.182 0.300 1 84 13 13 LYS CD C 29.716 0.300 1 85 13 13 LYS CE C 42.045 0.300 1 86 13 13 LYS CG C 24.491 0.300 1 87 13 13 LYS N N 124.854 0.300 1 88 14 14 GLY H H 8.862 0.030 1 89 14 14 GLY HA2 H 4.474 0.030 2 90 14 14 GLY HA3 H 4.087 0.030 2 91 14 14 GLY C C 171.028 0.300 1 92 14 14 GLY CA C 46.053 0.300 1 93 14 14 GLY N N 111.117 0.300 1 94 15 15 TYR H H 9.320 0.030 1 95 15 15 TYR HA H 5.452 0.030 1 96 15 15 TYR HB2 H 2.882 0.030 2 97 15 15 TYR HB3 H 2.732 0.030 2 98 15 15 TYR HD1 H 7.002 0.030 1 99 15 15 TYR HD2 H 7.002 0.030 1 100 15 15 TYR HE1 H 6.818 0.030 1 101 15 15 TYR HE2 H 6.818 0.030 1 102 15 15 TYR C C 175.196 0.300 1 103 15 15 TYR CA C 57.976 0.300 1 104 15 15 TYR CB C 41.758 0.300 1 105 15 15 TYR CD1 C 133.159 0.300 1 106 15 15 TYR CD2 C 133.159 0.300 1 107 15 15 TYR CE1 C 118.084 0.300 1 108 15 15 TYR CE2 C 118.084 0.300 1 109 15 15 TYR N N 122.003 0.300 1 110 16 16 LEU H H 8.752 0.030 1 111 16 16 LEU HA H 4.501 0.030 1 112 16 16 LEU HB2 H 1.497 0.030 2 113 16 16 LEU HB3 H 1.174 0.030 2 114 16 16 LEU HD1 H -0.604 0.030 1 115 16 16 LEU HD2 H 0.122 0.030 1 116 16 16 LEU HG H 0.604 0.030 1 117 16 16 LEU C C 175.649 0.300 1 118 16 16 LEU CA C 53.640 0.300 1 119 16 16 LEU CB C 48.047 0.300 1 120 16 16 LEU CD1 C 23.076 0.300 2 121 16 16 LEU CD2 C 23.396 0.300 2 122 16 16 LEU CG C 27.250 0.300 1 123 16 16 LEU N N 120.456 0.300 1 124 17 17 LEU H H 8.572 0.030 1 125 17 17 LEU HA H 5.113 0.030 1 126 17 17 LEU HB2 H 1.811 0.030 2 127 17 17 LEU HB3 H 1.310 0.030 2 128 17 17 LEU HD1 H 0.542 0.030 1 129 17 17 LEU HD2 H 0.713 0.030 1 130 17 17 LEU HG H 1.540 0.030 1 131 17 17 LEU C C 175.956 0.300 1 132 17 17 LEU CA C 53.993 0.300 1 133 17 17 LEU CB C 42.891 0.300 1 134 17 17 LEU CD1 C 24.817 0.300 2 135 17 17 LEU CD2 C 23.059 0.300 2 136 17 17 LEU CG C 27.250 0.300 1 137 17 17 LEU N N 118.708 0.300 1 138 18 18 LYS H H 9.484 0.030 1 139 18 18 LYS HA H 5.422 0.030 1 140 18 18 LYS HB2 H 1.654 0.030 2 141 18 18 LYS HB3 H 1.433 0.030 2 142 18 18 LYS HD2 H 1.396 0.030 2 143 18 18 LYS HD3 H 1.562 0.030 2 144 18 18 LYS HE2 H 3.062 0.030 2 145 18 18 LYS HE3 H 2.802 0.030 2 146 18 18 LYS HG2 H 1.183 0.030 2 147 18 18 LYS HG3 H 0.862 0.030 2 148 18 18 LYS C C 177.071 0.300 1 149 18 18 LYS CA C 54.044 0.300 1 150 18 18 LYS CB C 36.655 0.300 1 151 18 18 LYS CD C 29.646 0.300 1 152 18 18 LYS CE C 41.716 0.300 1 153 18 18 LYS CG C 24.195 0.300 1 154 18 18 LYS N N 123.351 0.300 1 155 19 19 LYS H H 8.296 0.030 1 156 19 19 LYS HA H 3.803 0.030 1 157 19 19 LYS HB2 H 1.194 0.030 2 158 19 19 LYS HB3 H 0.304 0.030 2 159 19 19 LYS HD2 H 0.792 0.030 1 160 19 19 LYS HD3 H 0.792 0.030 1 161 19 19 LYS HE2 H 1.979 0.030 1 162 19 19 LYS HE3 H 1.979 0.030 1 163 19 19 LYS HG2 H -0.163 0.030 2 164 19 19 LYS HG3 H 0.692 0.030 2 165 19 19 LYS C C 176.696 0.300 1 166 19 19 LYS CA C 56.888 0.300 1 167 19 19 LYS CB C 32.683 0.300 1 168 19 19 LYS CD C 28.851 0.300 1 169 19 19 LYS CE C 41.048 0.300 1 170 19 19 LYS CG C 24.691 0.300 1 171 19 19 LYS N N 133.946 0.300 1 172 20 20 SER H H 8.889 0.030 1 173 20 20 SER HA H 4.233 0.030 1 174 20 20 SER HB2 H 3.800 0.030 2 175 20 20 SER HB3 H 4.121 0.030 2 176 20 20 SER C C 173.275 0.300 1 177 20 20 SER CA C 58.984 0.300 1 178 20 20 SER CB C 64.130 0.300 1 179 20 20 SER N N 123.686 0.300 1 180 21 21 ASP H H 8.237 0.030 1 181 21 21 ASP HA H 4.673 0.030 1 182 21 21 ASP HB2 H 2.720 0.030 2 183 21 21 ASP HB3 H 2.511 0.030 2 184 21 21 ASP C C 176.600 0.300 1 185 21 21 ASP CA C 54.237 0.300 1 186 21 21 ASP CB C 42.215 0.300 1 187 21 21 ASP N N 118.614 0.300 1 188 22 22 GLY H H 8.028 0.030 1 189 22 22 GLY HA2 H 3.986 0.030 1 190 22 22 GLY HA3 H 3.986 0.030 1 191 22 22 GLY C C 173.607 0.300 1 192 22 22 GLY CA C 44.509 0.300 1 193 22 22 GLY N N 108.080 0.300 1 194 23 23 ILE H H 8.092 0.030 1 195 23 23 ILE HA H 3.832 0.030 1 196 23 23 ILE HB H 1.787 0.030 1 197 23 23 ILE HD1 H 0.842 0.030 1 198 23 23 ILE HG12 H 1.195 0.030 2 199 23 23 ILE HG13 H 1.445 0.030 2 200 23 23 ILE HG2 H 0.880 0.030 1 201 23 23 ILE C C 177.040 0.300 1 202 23 23 ILE CA C 63.402 0.300 1 203 23 23 ILE CB C 38.257 0.300 1 204 23 23 ILE CD1 C 13.072 0.300 1 205 23 23 ILE CG1 C 27.908 0.300 1 206 23 23 ILE CG2 C 17.469 0.300 1 207 23 23 ILE N N 118.522 0.300 1 208 24 24 ARG H H 7.980 0.030 1 209 24 24 ARG HA H 4.293 0.030 1 210 24 24 ARG HB2 H 1.665 0.030 1 211 24 24 ARG HB3 H 1.665 0.030 1 212 24 24 ARG HD2 H 3.134 0.030 1 213 24 24 ARG HD3 H 3.134 0.030 1 214 24 24 ARG HG2 H 1.555 0.030 2 215 24 24 ARG HG3 H 1.432 0.030 2 216 24 24 ARG C C 175.422 0.300 1 217 24 24 ARG CA C 55.396 0.300 1 218 24 24 ARG CB C 30.204 0.300 1 219 24 24 ARG CD C 43.255 0.300 1 220 24 24 ARG CG C 27.462 0.300 1 221 24 24 ARG N N 120.371 0.300 1 222 25 25 LYS H H 8.257 0.030 1 223 25 25 LYS HA H 4.036 0.030 1 224 25 25 LYS HB2 H 1.609 0.030 2 225 25 25 LYS HB3 H 1.292 0.030 2 226 25 25 LYS HD2 H 1.452 0.030 1 227 25 25 LYS HD3 H 1.452 0.030 1 228 25 25 LYS HE2 H 2.942 0.030 1 229 25 25 LYS HE3 H 2.942 0.030 1 230 25 25 LYS HG2 H 1.264 0.030 2 231 25 25 LYS HG3 H 1.192 0.030 2 232 25 25 LYS C C 175.556 0.300 1 233 25 25 LYS CA C 55.677 0.300 1 234 25 25 LYS CB C 31.867 0.300 1 235 25 25 LYS CD C 28.977 0.300 1 236 25 25 LYS CE C 42.867 0.300 1 237 25 25 LYS CG C 24.800 0.300 1 238 25 25 LYS N N 124.193 0.300 1 239 26 26 VAL H H 8.034 0.030 1 240 26 26 VAL HA H 4.331 0.030 1 241 26 26 VAL HB H 2.043 0.030 1 242 26 26 VAL HG1 H 0.812 0.030 1 243 26 26 VAL HG2 H 0.752 0.030 1 244 26 26 VAL C C 175.529 0.300 1 245 26 26 VAL CA C 59.416 0.300 1 246 26 26 VAL CB C 34.936 0.300 1 247 26 26 VAL CG1 C 21.457 0.300 2 248 26 26 VAL CG2 C 18.807 0.300 2 249 26 26 VAL N N 117.927 0.300 1 250 27 27 TRP H H 8.648 0.030 1 251 27 27 TRP HA H 4.542 0.030 1 252 27 27 TRP HB2 H 3.072 0.030 2 253 27 27 TRP HB3 H 2.944 0.030 2 254 27 27 TRP HD1 H 7.253 0.030 1 255 27 27 TRP HE1 H 10.053 0.030 1 256 27 27 TRP HE3 H 6.931 0.030 1 257 27 27 TRP HH2 H 6.892 0.030 1 258 27 27 TRP HZ2 H 7.339 0.030 1 259 27 27 TRP HZ3 H 6.714 0.030 1 260 27 27 TRP C C 176.642 0.300 1 261 27 27 TRP CA C 57.063 0.300 1 262 27 27 TRP CB C 30.509 0.300 1 263 27 27 TRP CD1 C 128.120 0.300 1 264 27 27 TRP CE3 C 119.818 0.300 1 265 27 27 TRP CH2 C 123.825 0.300 1 266 27 27 TRP CZ2 C 115.063 0.300 1 267 27 27 TRP CZ3 C 122.748 0.300 1 268 27 27 TRP N N 123.878 0.300 1 269 27 27 TRP NE1 N 128.922 0.300 1 270 28 28 GLN H H 8.635 0.030 1 271 28 28 GLN HA H 4.787 0.030 1 272 28 28 GLN HB2 H 2.083 0.030 2 273 28 28 GLN HB3 H 2.013 0.030 2 274 28 28 GLN HE21 H 7.002 0.030 2 275 28 28 GLN HE22 H 7.633 0.030 2 276 28 28 GLN HG2 H 2.301 0.030 1 277 28 28 GLN HG3 H 2.301 0.030 1 278 28 28 GLN C C 174.904 0.300 1 279 28 28 GLN CA C 54.201 0.300 1 280 28 28 GLN CB C 32.300 0.300 1 281 28 28 GLN CG C 34.237 0.300 1 282 28 28 GLN N N 121.691 0.300 1 283 28 28 GLN NE2 N 113.294 0.300 1 284 29 29 ARG H H 9.074 0.030 1 285 29 29 ARG HA H 4.552 0.030 1 286 29 29 ARG HB2 H 1.809 0.030 2 287 29 29 ARG HB3 H 1.657 0.030 2 288 29 29 ARG HD2 H 2.863 0.030 1 289 29 29 ARG HD3 H 2.863 0.030 1 290 29 29 ARG HG2 H 1.522 0.030 2 291 29 29 ARG HG3 H 1.453 0.030 2 292 29 29 ARG C C 176.681 0.300 1 293 29 29 ARG CA C 57.871 0.300 1 294 29 29 ARG CB C 31.013 0.300 1 295 29 29 ARG CD C 43.205 0.300 1 296 29 29 ARG CG C 28.648 0.300 1 297 29 29 ARG N N 126.253 0.300 1 298 30 30 ARG H H 9.532 0.030 1 299 30 30 ARG HA H 4.945 0.030 1 300 30 30 ARG HB2 H 1.583 0.030 2 301 30 30 ARG HB3 H 1.845 0.030 2 302 30 30 ARG HD2 H 3.334 0.030 2 303 30 30 ARG HD3 H 3.181 0.030 2 304 30 30 ARG HG2 H 1.664 0.030 2 305 30 30 ARG HG3 H 1.392 0.030 2 306 30 30 ARG C C 174.898 0.300 1 307 30 30 ARG CA C 52.902 0.300 1 308 30 30 ARG CB C 33.605 0.300 1 309 30 30 ARG CD C 42.456 0.300 1 310 30 30 ARG CG C 27.098 0.300 1 311 30 30 ARG N N 126.844 0.300 1 312 31 31 LYS H H 8.832 0.030 1 313 31 31 LYS HA H 4.094 0.030 1 314 31 31 LYS HB2 H 1.781 0.030 2 315 31 31 LYS HB3 H 1.569 0.030 2 316 31 31 LYS HD2 H 1.554 0.030 1 317 31 31 LYS HD3 H 1.554 0.030 1 318 31 31 LYS HE2 H 2.875 0.030 1 319 31 31 LYS HE3 H 2.875 0.030 1 320 31 31 LYS HG2 H 1.162 0.030 2 321 31 31 LYS HG3 H 1.090 0.030 2 322 31 31 LYS C C 176.041 0.300 1 323 31 31 LYS CA C 56.923 0.300 1 324 31 31 LYS CB C 32.634 0.300 1 325 31 31 LYS CD C 29.105 0.300 1 326 31 31 LYS CE C 41.881 0.300 1 327 31 31 LYS CG C 25.113 0.300 1 328 31 31 LYS N N 125.655 0.300 1 329 32 32 CYS H H 8.854 0.030 1 330 32 32 CYS HA H 5.711 0.030 1 331 32 32 CYS HB2 H 2.463 0.030 2 332 32 32 CYS HB3 H 2.323 0.030 2 333 32 32 CYS C C 173.437 0.300 1 334 32 32 CYS CA C 57.485 0.300 1 335 32 32 CYS CB C 32.693 0.300 1 336 32 32 CYS N N 124.713 0.300 1 337 33 33 SER H H 8.770 0.030 1 338 33 33 SER HA H 5.563 0.030 1 339 33 33 SER HB2 H 3.913 0.030 2 340 33 33 SER HB3 H 3.852 0.030 2 341 33 33 SER C C 172.799 0.300 1 342 33 33 SER CA C 56.555 0.300 1 343 33 33 SER CB C 65.881 0.300 1 344 33 33 SER N N 114.858 0.300 1 345 34 34 VAL H H 9.272 0.030 1 346 34 34 VAL HA H 5.300 0.030 1 347 34 34 VAL HB H 1.750 0.030 1 348 34 34 VAL HG1 H 0.832 0.030 1 349 34 34 VAL HG2 H 0.981 0.030 1 350 34 34 VAL C C 174.913 0.300 1 351 34 34 VAL CA C 60.259 0.300 1 352 34 34 VAL CB C 34.930 0.300 1 353 34 34 VAL CG1 C 21.661 0.300 2 354 34 34 VAL CG2 C 23.634 0.300 2 355 34 34 VAL N N 123.527 0.300 1 356 35 35 LYS H H 8.184 0.030 1 357 35 35 LYS HA H 4.370 0.030 1 358 35 35 LYS HB2 H 1.908 0.030 2 359 35 35 LYS HB3 H 1.700 0.030 2 360 35 35 LYS HD2 H 1.598 0.030 1 361 35 35 LYS HD3 H 1.598 0.030 1 362 35 35 LYS HE2 H 2.916 0.030 1 363 35 35 LYS HE3 H 2.916 0.030 1 364 35 35 LYS HG2 H 1.274 0.030 1 365 35 35 LYS HG3 H 1.274 0.030 1 366 35 35 LYS C C 175.778 0.300 1 367 35 35 LYS CA C 56.940 0.300 1 368 35 35 LYS CB C 35.141 0.300 1 369 35 35 LYS CD C 29.305 0.300 1 370 35 35 LYS CE C 42.210 0.300 1 371 35 35 LYS CG C 24.702 0.300 1 372 35 35 LYS N N 125.816 0.300 1 373 36 36 ASN H H 9.862 0.030 1 374 36 36 ASN HA H 4.322 0.030 1 375 36 36 ASN HB2 H 3.010 0.030 2 376 36 36 ASN HB3 H 2.722 0.030 2 377 36 36 ASN HD21 H 7.570 0.030 2 378 36 36 ASN HD22 H 6.922 0.030 2 379 36 36 ASN C C 174.557 0.300 1 380 36 36 ASN CA C 54.271 0.300 1 381 36 36 ASN CB C 37.566 0.300 1 382 36 36 ASN N N 126.045 0.300 1 383 36 36 ASN ND2 N 111.938 0.300 1 384 37 37 GLY H H 8.252 0.030 1 385 37 37 GLY HA2 H 3.933 0.030 2 386 37 37 GLY HA3 H 3.624 0.030 2 387 37 37 GLY C C 172.392 0.300 1 388 37 37 GLY CA C 46.053 0.300 1 389 37 37 GLY N N 101.964 0.300 1 390 38 38 ILE H H 7.749 0.030 1 391 38 38 ILE HA H 4.812 0.030 1 392 38 38 ILE HB H 2.000 0.030 1 393 38 38 ILE HD1 H 0.772 0.030 1 394 38 38 ILE HG12 H 1.241 0.030 2 395 38 38 ILE HG13 H 1.432 0.030 2 396 38 38 ILE HG2 H 0.689 0.030 1 397 38 38 ILE C C 176.169 0.300 1 398 38 38 ILE CA C 58.503 0.300 1 399 38 38 ILE CB C 39.877 0.300 1 400 38 38 ILE CD1 C 11.387 0.300 1 401 38 38 ILE CG1 C 26.859 0.300 1 402 38 38 ILE CG2 C 17.305 0.300 1 403 38 38 ILE N N 120.177 0.300 1 404 39 39 LEU H H 9.077 0.030 1 405 39 39 LEU HA H 5.277 0.030 1 406 39 39 LEU HB2 H 1.801 0.030 2 407 39 39 LEU HB3 H 1.105 0.030 2 408 39 39 LEU HD1 H 0.623 0.030 1 409 39 39 LEU HD2 H 0.481 0.030 1 410 39 39 LEU HG H 1.281 0.030 1 411 39 39 LEU C C 174.428 0.300 1 412 39 39 LEU CA C 53.148 0.300 1 413 39 39 LEU CB C 44.708 0.300 1 414 39 39 LEU CD1 C 23.634 0.300 2 415 39 39 LEU CD2 C 27.060 0.300 2 416 39 39 LEU CG C 27.465 0.300 1 417 39 39 LEU N N 131.378 0.300 1 418 40 40 THR H H 9.683 0.030 1 419 40 40 THR HA H 5.156 0.030 1 420 40 40 THR HB H 4.074 0.030 1 421 40 40 THR HG2 H 1.102 0.030 1 422 40 40 THR C C 174.326 0.300 1 423 40 40 THR CA C 62.068 0.300 1 424 40 40 THR CB C 69.492 0.300 1 425 40 40 THR CG2 C 21.759 0.300 1 426 40 40 THR N N 124.873 0.300 1 427 41 41 ILE H H 9.111 0.030 1 428 41 41 ILE HA H 4.702 0.030 1 429 41 41 ILE HB H 1.753 0.030 1 430 41 41 ILE HD1 H 0.673 0.030 1 431 41 41 ILE HG12 H 1.402 0.030 2 432 41 41 ILE HG13 H 0.913 0.030 2 433 41 41 ILE HG2 H 0.871 0.030 1 434 41 41 ILE C C 175.976 0.300 1 435 41 41 ILE CA C 60.084 0.300 1 436 41 41 ILE CB C 40.617 0.300 1 437 41 41 ILE CD1 C 15.035 0.300 1 438 41 41 ILE CG1 C 26.922 0.300 1 439 41 41 ILE CG2 C 17.674 0.300 1 440 41 41 ILE N N 127.122 0.300 1 441 42 42 SER H H 8.814 0.030 1 442 42 42 SER HA H 4.492 0.030 1 443 42 42 SER HB2 H 4.012 0.030 1 444 42 42 SER HB3 H 4.012 0.030 1 445 42 42 SER C C 173.783 0.300 1 446 42 42 SER CA C 59.662 0.300 1 447 42 42 SER CB C 64.160 0.300 1 448 42 42 SER N N 123.373 0.300 1 449 43 43 HIS H H 8.943 0.030 1 450 43 43 HIS HA H 4.402 0.030 1 451 43 43 HIS HB2 H 3.042 0.030 2 452 43 43 HIS HB3 H 3.243 0.030 2 453 43 43 HIS HD2 H 7.132 0.030 1 454 43 43 HIS C C 175.677 0.300 1 455 43 43 HIS CA C 57.485 0.300 1 456 43 43 HIS CB C 31.607 0.300 1 457 43 43 HIS CD2 C 119.299 0.300 1 458 43 43 HIS N N 122.669 0.300 1 459 44 44 ALA HA H 4.204 0.030 1 460 44 44 ALA HB H 1.469 0.030 1 461 44 44 ALA CA C 54.756 0.300 1 462 44 44 ALA CB C 19.581 0.300 1 463 45 45 THR HA H 4.593 0.030 1 464 45 45 THR HB H 4.367 0.030 1 465 45 45 THR HG2 H 1.234 0.030 1 466 45 45 THR CA C 61.166 0.300 1 467 45 45 THR CB C 70.297 0.300 1 468 45 45 THR CG2 C 21.791 0.300 1 469 47 47 ASN HA H 4.700 0.030 1 470 47 47 ASN HB2 H 2.872 0.030 1 471 47 47 ASN HB3 H 2.872 0.030 1 472 47 47 ASN HD21 H 6.884 0.030 2 473 47 47 ASN HD22 H 7.585 0.030 2 474 47 47 ASN C C 174.867 0.300 1 475 47 47 ASN CA C 53.446 0.300 1 476 47 47 ASN CB C 37.853 0.300 1 477 47 47 ASN ND2 N 112.495 0.300 1 478 48 48 ARG H H 7.664 0.030 1 479 48 48 ARG HA H 4.312 0.030 1 480 48 48 ARG HB2 H 1.661 0.030 2 481 48 48 ARG HB3 H 1.499 0.030 2 482 48 48 ARG HD2 H 2.972 0.030 1 483 48 48 ARG HD3 H 2.972 0.030 1 484 48 48 ARG HG2 H 1.433 0.030 2 485 48 48 ARG HG3 H 1.552 0.030 2 486 48 48 ARG C C 175.760 0.300 1 487 48 48 ARG CA C 55.431 0.300 1 488 48 48 ARG CB C 31.113 0.300 1 489 48 48 ARG CD C 43.032 0.300 1 490 48 48 ARG CG C 27.381 0.300 1 491 48 48 ARG N N 118.143 0.300 1 492 49 49 GLN H H 8.497 0.030 1 493 49 49 GLN HA H 4.472 0.030 1 494 49 49 GLN HB2 H 1.971 0.030 2 495 49 49 GLN HB3 H 2.141 0.030 2 496 49 49 GLN HE21 H 7.581 0.030 2 497 49 49 GLN HE22 H 6.924 0.030 2 498 49 49 GLN HG2 H 2.444 0.030 1 499 49 49 GLN HG3 H 2.444 0.030 1 500 49 49 GLN C C 173.885 0.300 1 501 49 49 GLN CA C 54.400 0.300 1 502 49 49 GLN CB C 28.423 0.300 1 503 49 49 GLN CG C 33.705 0.300 1 504 49 49 GLN N N 122.064 0.300 1 505 49 49 GLN NE2 N 113.006 0.300 1 506 50 50 PRO HA H 4.663 0.030 1 507 50 50 PRO HB2 H 2.189 0.030 2 508 50 50 PRO HB3 H 1.732 0.030 2 509 50 50 PRO HD2 H 3.694 0.030 2 510 50 50 PRO HD3 H 3.781 0.030 2 511 50 50 PRO HG2 H 2.042 0.030 2 512 50 50 PRO HG3 H 1.835 0.030 2 513 50 50 PRO C C 176.339 0.300 1 514 50 50 PRO CA C 62.742 0.300 1 515 50 50 PRO CB C 33.223 0.300 1 516 50 50 PRO CD C 50.598 0.300 1 517 50 50 PRO CG C 26.961 0.300 1 518 51 51 ALA H H 8.244 0.030 1 519 51 51 ALA HA H 4.583 0.030 1 520 51 51 ALA HB H 1.384 0.030 1 521 51 51 ALA C C 176.394 0.300 1 522 51 51 ALA CA C 51.497 0.300 1 523 51 51 ALA CB C 20.532 0.300 1 524 51 51 ALA N N 123.655 0.300 1 525 52 52 LYS H H 8.315 0.030 1 526 52 52 LYS HA H 5.131 0.030 1 527 52 52 LYS HB2 H 1.637 0.030 2 528 52 52 LYS HB3 H 1.434 0.030 2 529 52 52 LYS HD2 H 1.592 0.030 1 530 52 52 LYS HD3 H 1.592 0.030 1 531 52 52 LYS HE2 H 2.842 0.030 2 532 52 52 LYS HE3 H 2.905 0.030 2 533 52 52 LYS HG2 H 1.278 0.030 2 534 52 52 LYS HG3 H 1.371 0.030 2 535 52 52 LYS C C 175.730 0.300 1 536 52 52 LYS CA C 55.115 0.300 1 537 52 52 LYS CB C 35.053 0.300 1 538 52 52 LYS CD C 29.634 0.300 1 539 52 52 LYS CE C 42.249 0.300 1 540 52 52 LYS CG C 25.200 0.300 1 541 52 52 LYS N N 120.064 0.300 1 542 53 53 LEU H H 9.324 0.030 1 543 53 53 LEU HA H 4.563 0.030 1 544 53 53 LEU HB2 H 1.452 0.030 2 545 53 53 LEU HB3 H 1.284 0.030 2 546 53 53 LEU HD1 H 0.437 0.030 1 547 53 53 LEU HD2 H 0.545 0.030 1 548 53 53 LEU HG H 1.288 0.030 1 549 53 53 LEU C C 174.869 0.300 1 550 53 53 LEU CA C 53.463 0.300 1 551 53 53 LEU CB C 44.264 0.300 1 552 53 53 LEU CD1 C 24.814 0.300 2 553 53 53 LEU CD2 C 24.241 0.300 2 554 53 53 LEU CG C 27.415 0.300 1 555 53 53 LEU N N 125.174 0.300 1 556 54 54 ASN H H 8.861 0.030 1 557 54 54 ASN HA H 4.750 0.030 1 558 54 54 ASN HB2 H 3.062 0.030 2 559 54 54 ASN HB3 H 2.732 0.030 2 560 54 54 ASN HD21 H 7.620 0.030 2 561 54 54 ASN HD22 H 6.870 0.030 2 562 54 54 ASN C C 176.696 0.300 1 563 54 54 ASN CA C 52.937 0.300 1 564 54 54 ASN CB C 38.100 0.300 1 565 54 54 ASN N N 122.344 0.300 1 566 54 54 ASN ND2 N 111.585 0.300 1 567 55 55 LEU H H 8.915 0.030 1 568 55 55 LEU HA H 3.999 0.030 1 569 55 55 LEU HB2 H 1.709 0.030 2 570 55 55 LEU HB3 H 1.332 0.030 2 571 55 55 LEU HD1 H 0.749 0.030 1 572 55 55 LEU HD2 H 0.851 0.030 1 573 55 55 LEU HG H 1.642 0.030 1 574 55 55 LEU C C 178.050 0.300 1 575 55 55 LEU CA C 57.503 0.300 1 576 55 55 LEU CB C 40.912 0.300 1 577 55 55 LEU CD1 C 22.803 0.300 2 578 55 55 LEU CD2 C 26.418 0.300 2 579 55 55 LEU CG C 27.220 0.300 1 580 55 55 LEU N N 127.468 0.300 1 581 56 56 LEU H H 8.459 0.030 1 582 56 56 LEU HA H 4.102 0.030 1 583 56 56 LEU HB2 H 1.782 0.030 2 584 56 56 LEU HB3 H 1.592 0.030 2 585 56 56 LEU HD1 H 0.947 0.030 1 586 56 56 LEU HD2 H 0.906 0.030 1 587 56 56 LEU HG H 1.732 0.030 1 588 56 56 LEU C C 178.383 0.300 1 589 56 56 LEU CA C 58.204 0.300 1 590 56 56 LEU CB C 42.089 0.300 1 591 56 56 LEU CD1 C 24.756 0.300 2 592 56 56 LEU CD2 C 24.524 0.300 2 593 56 56 LEU CG C 27.250 0.300 1 594 56 56 LEU N N 118.096 0.300 1 595 57 57 THR H H 7.514 0.030 1 596 57 57 THR HA H 4.569 0.030 1 597 57 57 THR HB H 4.590 0.030 1 598 57 57 THR HG2 H 1.152 0.030 1 599 57 57 THR C C 174.502 0.300 1 600 57 57 THR CA C 60.575 0.300 1 601 57 57 THR CB C 68.803 0.300 1 602 57 57 THR CG2 C 21.597 0.300 1 603 57 57 THR N N 104.828 0.300 1 604 58 58 CYS H H 7.366 0.030 1 605 58 58 CYS HA H 5.390 0.030 1 606 58 58 CYS HB2 H 2.833 0.030 2 607 58 58 CYS HB3 H 2.422 0.030 2 608 58 58 CYS C C 173.955 0.300 1 609 58 58 CYS CA C 58.240 0.300 1 610 58 58 CYS CB C 30.664 0.300 1 611 58 58 CYS N N 117.765 0.300 1 612 59 59 GLN H H 8.798 0.030 1 613 59 59 GLN HA H 4.712 0.030 1 614 59 59 GLN HB2 H 2.092 0.030 2 615 59 59 GLN HB3 H 1.943 0.030 2 616 59 59 GLN HE21 H 7.558 0.030 2 617 59 59 GLN HE22 H 6.870 0.030 2 618 59 59 GLN HG2 H 2.291 0.030 2 619 59 59 GLN HG3 H 2.433 0.030 2 620 59 59 GLN C C 175.097 0.300 1 621 59 59 GLN CA C 54.482 0.300 1 622 59 59 GLN CB C 31.388 0.300 1 623 59 59 GLN CG C 33.662 0.300 1 624 59 59 GLN N N 120.252 0.300 1 625 59 59 GLN NE2 N 111.733 0.300 1 626 60 60 VAL H H 8.911 0.030 1 627 60 60 VAL HA H 4.662 0.030 1 628 60 60 VAL HB H 2.002 0.030 1 629 60 60 VAL HG1 H 0.703 0.030 1 630 60 60 VAL HG2 H 0.785 0.030 1 631 60 60 VAL C C 175.577 0.300 1 632 60 60 VAL CA C 61.752 0.300 1 633 60 60 VAL CB C 32.487 0.300 1 634 60 60 VAL CG1 C 20.905 0.300 2 635 60 60 VAL CG2 C 20.803 0.300 2 636 60 60 VAL N N 125.139 0.300 1 637 61 61 LYS H H 9.351 0.030 1 638 61 61 LYS HA H 5.153 0.030 1 639 61 61 LYS HB2 H 1.976 0.030 2 640 61 61 LYS HB3 H 1.692 0.030 2 641 61 61 LYS HD2 H 1.731 0.030 1 642 61 61 LYS HD3 H 1.731 0.030 1 643 61 61 LYS HE2 H 2.991 0.030 1 644 61 61 LYS HE3 H 2.991 0.030 1 645 61 61 LYS HG2 H 1.402 0.030 2 646 61 61 LYS HG3 H 1.471 0.030 2 647 61 61 LYS C C 173.715 0.300 1 648 61 61 LYS CA C 52.709 0.300 1 649 61 61 LYS CB C 35.198 0.300 1 650 61 61 LYS CD C 29.316 0.300 1 651 61 61 LYS CE C 42.201 0.300 1 652 61 61 LYS CG C 24.454 0.300 1 653 61 61 LYS N N 128.742 0.300 1 654 62 62 PRO HA H 4.634 0.030 1 655 62 62 PRO HB2 H 2.582 0.030 2 656 62 62 PRO HB3 H 1.995 0.030 2 657 62 62 PRO HD2 H 3.832 0.030 1 658 62 62 PRO HD3 H 3.832 0.030 1 659 62 62 PRO HG2 H 1.892 0.030 2 660 62 62 PRO HG3 H 2.171 0.030 2 661 62 62 PRO C C 175.355 0.300 1 662 62 62 PRO CA C 63.350 0.300 1 663 62 62 PRO CB C 32.624 0.300 1 664 62 62 PRO CD C 51.451 0.300 1 665 62 62 PRO CG C 27.661 0.300 1 666 63 63 ASN H H 8.373 0.030 1 667 63 63 ASN HA H 4.837 0.030 1 668 63 63 ASN HB2 H 3.092 0.030 2 669 63 63 ASN HB3 H 2.613 0.030 2 670 63 63 ASN HD21 H 7.039 0.030 2 671 63 63 ASN HD22 H 8.120 0.030 2 672 63 63 ASN C C 175.114 0.300 1 673 63 63 ASN CA C 53.200 0.300 1 674 63 63 ASN CB C 40.196 0.300 1 675 63 63 ASN N N 122.749 0.300 1 676 63 63 ASN ND2 N 114.325 0.300 1 677 64 64 ALA H H 8.701 0.030 1 678 64 64 ALA HA H 4.193 0.030 1 679 64 64 ALA HB H 1.441 0.030 1 680 64 64 ALA C C 178.148 0.300 1 681 64 64 ALA CA C 53.741 0.300 1 682 64 64 ALA CB C 19.033 0.300 1 683 64 64 ALA N N 126.309 0.300 1 684 65 65 GLU H H 8.419 0.030 1 685 65 65 GLU HA H 4.191 0.030 1 686 65 65 GLU HB2 H 2.042 0.030 1 687 65 65 GLU HB3 H 2.042 0.030 1 688 65 65 GLU HG2 H 2.223 0.030 1 689 65 65 GLU HG3 H 2.223 0.030 1 690 65 65 GLU C C 176.402 0.300 1 691 65 65 GLU CA C 57.941 0.300 1 692 65 65 GLU CB C 30.615 0.300 1 693 65 65 GLU CG C 36.620 0.300 1 694 65 65 GLU N N 116.774 0.300 1 695 66 66 ASP H H 7.713 0.030 1 696 66 66 ASP HA H 4.592 0.030 1 697 66 66 ASP HB2 H 2.663 0.030 2 698 66 66 ASP HB3 H 2.561 0.030 2 699 66 66 ASP C C 175.737 0.300 1 700 66 66 ASP CA C 53.657 0.300 1 701 66 66 ASP CB C 42.699 0.300 1 702 66 66 ASP N N 117.766 0.300 1 703 67 67 LYS H H 8.141 0.030 1 704 67 67 LYS HA H 3.874 0.030 1 705 67 67 LYS HB2 H 1.767 0.030 2 706 67 67 LYS HB3 H 1.622 0.030 2 707 67 67 LYS HD2 H 1.641 0.030 2 708 67 67 LYS HD3 H 1.589 0.030 2 709 67 67 LYS HE2 H 2.958 0.030 1 710 67 67 LYS HE3 H 2.958 0.030 1 711 67 67 LYS HG2 H 1.331 0.030 1 712 67 67 LYS HG3 H 1.331 0.030 1 713 67 67 LYS C C 175.128 0.300 1 714 67 67 LYS CA C 57.063 0.300 1 715 67 67 LYS CB C 31.582 0.300 1 716 67 67 LYS CD C 28.894 0.300 1 717 67 67 LYS CE C 41.963 0.300 1 718 67 67 LYS CG C 24.938 0.300 1 719 67 67 LYS N N 119.379 0.300 1 720 68 68 LYS H H 8.053 0.030 1 721 68 68 LYS HA H 3.941 0.030 1 722 68 68 LYS HB2 H 1.588 0.030 2 723 68 68 LYS HB3 H 1.684 0.030 2 724 68 68 LYS HD2 H 1.272 0.030 2 725 68 68 LYS HD3 H 1.452 0.030 2 726 68 68 LYS HE2 H 2.774 0.030 2 727 68 68 LYS HE3 H 2.741 0.030 2 728 68 68 LYS HG2 H 1.044 0.030 2 729 68 68 LYS HG3 H 1.183 0.030 2 730 68 68 LYS C C 175.312 0.300 1 731 68 68 LYS CA C 56.835 0.300 1 732 68 68 LYS CB C 33.511 0.300 1 733 68 68 LYS CD C 29.080 0.300 1 734 68 68 LYS CE C 41.470 0.300 1 735 68 68 LYS CG C 24.802 0.300 1 736 68 68 LYS N N 113.943 0.300 1 737 69 69 SER H H 8.367 0.030 1 738 69 69 SER HA H 5.420 0.030 1 739 69 69 SER HB2 H 4.146 0.030 2 740 69 69 SER HB3 H 4.072 0.030 2 741 69 69 SER C C 173.397 0.300 1 742 69 69 SER CA C 58.503 0.300 1 743 69 69 SER CB C 64.715 0.300 1 744 69 69 SER N N 116.851 0.300 1 745 70 70 PHE H H 8.600 0.030 1 746 70 70 PHE HA H 5.172 0.030 1 747 70 70 PHE HB2 H 3.351 0.030 2 748 70 70 PHE HB3 H 2.724 0.030 2 749 70 70 PHE HD1 H 6.913 0.030 1 750 70 70 PHE HD2 H 6.913 0.030 1 751 70 70 PHE HE1 H 6.632 0.030 1 752 70 70 PHE HE2 H 6.632 0.030 1 753 70 70 PHE HZ H 6.331 0.030 1 754 70 70 PHE C C 171.045 0.300 1 755 70 70 PHE CA C 56.425 0.300 1 756 70 70 PHE CB C 41.408 0.300 1 757 70 70 PHE CD1 C 132.376 0.300 1 758 70 70 PHE CD2 C 132.376 0.300 1 759 70 70 PHE CE1 C 129.862 0.300 1 760 70 70 PHE CE2 C 129.862 0.300 1 761 70 70 PHE CZ C 129.024 0.300 1 762 70 70 PHE N N 118.095 0.300 1 763 71 71 ASP H H 9.007 0.030 1 764 71 71 ASP HA H 5.955 0.030 1 765 71 71 ASP HB2 H 2.642 0.030 2 766 71 71 ASP HB3 H 2.422 0.030 2 767 71 71 ASP C C 175.375 0.300 1 768 71 71 ASP CA C 52.024 0.300 1 769 71 71 ASP CB C 43.812 0.300 1 770 71 71 ASP N N 120.649 0.300 1 771 72 72 LEU H H 9.179 0.030 1 772 72 72 LEU HA H 5.502 0.030 1 773 72 72 LEU HB2 H 1.698 0.030 1 774 72 72 LEU HB3 H 1.698 0.030 1 775 72 72 LEU HD1 H 0.910 0.030 1 776 72 72 LEU HD2 H 0.837 0.030 1 777 72 72 LEU HG H 1.691 0.030 1 778 72 72 LEU C C 175.482 0.300 1 779 72 72 LEU CA C 53.446 0.300 1 780 72 72 LEU CB C 45.233 0.300 1 781 72 72 LEU CD1 C 26.337 0.300 2 782 72 72 LEU CD2 C 26.206 0.300 2 783 72 72 LEU CG C 28.319 0.300 1 784 72 72 LEU N N 121.621 0.300 1 785 73 73 ILE H H 9.161 0.030 1 786 73 73 ILE HA H 4.787 0.030 1 787 73 73 ILE HB H 1.809 0.030 1 788 73 73 ILE HD1 H 0.872 0.030 1 789 73 73 ILE HG12 H 1.241 0.030 2 790 73 73 ILE HG13 H 1.452 0.030 2 791 73 73 ILE HG2 H 0.889 0.030 1 792 73 73 ILE C C 176.591 0.300 1 793 73 73 ILE CA C 61.102 0.300 1 794 73 73 ILE CB C 39.877 0.300 1 795 73 73 ILE CD1 C 14.593 0.300 1 796 73 73 ILE CG1 C 27.908 0.300 1 797 73 73 ILE CG2 C 18.015 0.300 1 798 73 73 ILE N N 125.424 0.300 1 799 74 74 SER H H 8.953 0.030 1 800 74 74 SER HA H 5.201 0.030 1 801 74 74 SER HB2 H 4.273 0.030 2 802 74 74 SER HB3 H 3.902 0.030 2 803 74 74 SER C C 174.563 0.300 1 804 74 74 SER CA C 56.291 0.300 1 805 74 74 SER CB C 65.639 0.300 1 806 74 74 SER N N 123.800 0.300 1 807 75 75 HIS HA H 4.324 0.030 1 808 75 75 HIS HB2 H 3.222 0.030 1 809 75 75 HIS HB3 H 3.222 0.030 1 810 75 75 HIS HD2 H 7.067 0.030 1 811 75 75 HIS CA C 58.487 0.300 1 812 75 75 HIS CB C 29.382 0.300 1 813 75 75 HIS CD2 C 119.769 0.300 1 814 76 76 ASN H H 8.198 0.030 1 815 76 76 ASN HA H 4.530 0.030 1 816 76 76 ASN HB2 H 2.882 0.030 2 817 76 76 ASN HB3 H 2.731 0.030 2 818 76 76 ASN HD21 H 6.849 0.030 2 819 76 76 ASN HD22 H 7.523 0.030 2 820 76 76 ASN C C 174.286 0.300 1 821 76 76 ASN CA C 53.446 0.300 1 822 76 76 ASN CB C 38.721 0.300 1 823 76 76 ASN N N 113.684 0.300 1 824 76 76 ASN ND2 N 111.897 0.300 1 825 77 77 ARG H H 7.673 0.030 1 826 77 77 ARG HA H 4.412 0.030 1 827 77 77 ARG HB2 H 1.531 0.030 2 828 77 77 ARG HB3 H 1.652 0.030 2 829 77 77 ARG HD2 H 2.979 0.030 2 830 77 77 ARG HD3 H 2.940 0.030 2 831 77 77 ARG HG2 H 1.190 0.030 1 832 77 77 ARG HG3 H 1.190 0.030 1 833 77 77 ARG C C 173.930 0.300 1 834 77 77 ARG CA C 55.570 0.300 1 835 77 77 ARG CB C 32.593 0.300 1 836 77 77 ARG CD C 43.059 0.300 1 837 77 77 ARG CG C 26.264 0.300 1 838 77 77 ARG N N 119.463 0.300 1 839 78 78 THR H H 8.301 0.030 1 840 78 78 THR HA H 4.737 0.030 1 841 78 78 THR HB H 3.582 0.030 1 842 78 78 THR HG2 H 0.544 0.030 1 843 78 78 THR C C 172.665 0.300 1 844 78 78 THR CA C 62.208 0.300 1 845 78 78 THR CB C 69.868 0.300 1 846 78 78 THR CG2 C 21.669 0.300 1 847 78 78 THR N N 118.898 0.300 1 848 79 79 TYR H H 9.194 0.030 1 849 79 79 TYR HA H 4.092 0.030 1 850 79 79 TYR HB2 H 2.832 0.030 2 851 79 79 TYR HB3 H 2.182 0.030 2 852 79 79 TYR HD1 H 6.862 0.030 1 853 79 79 TYR HD2 H 6.862 0.030 1 854 79 79 TYR HE1 H 6.634 0.030 1 855 79 79 TYR HE2 H 6.634 0.030 1 856 79 79 TYR C C 173.461 0.300 1 857 79 79 TYR CA C 56.291 0.300 1 858 79 79 TYR CB C 41.060 0.300 1 859 79 79 TYR CD1 C 132.850 0.300 1 860 79 79 TYR CD2 C 132.850 0.300 1 861 79 79 TYR CE1 C 117.811 0.300 1 862 79 79 TYR CE2 C 117.811 0.300 1 863 79 79 TYR N N 127.020 0.300 1 864 80 80 HIS H H 8.673 0.030 1 865 80 80 HIS HA H 5.211 0.030 1 866 80 80 HIS HB2 H 3.085 0.030 2 867 80 80 HIS HB3 H 2.744 0.030 2 868 80 80 HIS HD2 H 6.803 0.030 1 869 80 80 HIS HE1 H 7.802 0.030 1 870 80 80 HIS C C 173.618 0.300 1 871 80 80 HIS CA C 54.746 0.300 1 872 80 80 HIS CB C 29.974 0.300 1 873 80 80 HIS CD2 C 125.867 0.300 1 874 80 80 HIS CE1 C 138.700 0.300 1 875 80 80 HIS N N 122.332 0.300 1 876 81 81 PHE H H 8.773 0.030 1 877 81 81 PHE HA H 6.039 0.030 1 878 81 81 PHE HB2 H 2.235 0.030 2 879 81 81 PHE HB3 H 1.372 0.030 2 880 81 81 PHE HD1 H 6.883 0.030 1 881 81 81 PHE HD2 H 6.883 0.030 1 882 81 81 PHE HE1 H 6.805 0.030 1 883 81 81 PHE HE2 H 6.805 0.030 1 884 81 81 PHE HZ H 6.674 0.030 1 885 81 81 PHE C C 176.509 0.300 1 886 81 81 PHE CA C 56.572 0.300 1 887 81 81 PHE CB C 43.811 0.300 1 888 81 81 PHE CD1 C 132.742 0.300 1 889 81 81 PHE CD2 C 132.742 0.300 1 890 81 81 PHE CE1 C 129.755 0.300 1 891 81 81 PHE CE2 C 129.755 0.300 1 892 81 81 PHE CZ C 127.167 0.300 1 893 81 81 PHE N N 121.055 0.300 1 894 82 82 GLN H H 9.062 0.030 1 895 82 82 GLN HA H 4.762 0.030 1 896 82 82 GLN HB2 H 1.032 0.030 2 897 82 82 GLN HB3 H 1.093 0.030 2 898 82 82 GLN HE21 H 6.099 0.030 2 899 82 82 GLN HE22 H 6.005 0.030 2 900 82 82 GLN HG2 H 1.791 0.030 2 901 82 82 GLN HG3 H 1.953 0.030 2 902 82 82 GLN C C 174.285 0.300 1 903 82 82 GLN CA C 55.729 0.300 1 904 82 82 GLN CB C 32.799 0.300 1 905 82 82 GLN CG C 34.483 0.300 1 906 82 82 GLN N N 119.709 0.300 1 907 82 82 GLN NE2 N 108.847 0.300 1 908 83 83 ALA H H 8.896 0.030 1 909 83 83 ALA HA H 4.887 0.030 1 910 83 83 ALA HB H 1.842 0.030 1 911 83 83 ALA C C 177.599 0.300 1 912 83 83 ALA CA C 50.672 0.300 1 913 83 83 ALA CB C 20.922 0.300 1 914 83 83 ALA N N 126.962 0.300 1 915 84 84 GLU H H 9.979 0.030 1 916 84 84 GLU HA H 3.910 0.030 1 917 84 84 GLU HB2 H 2.101 0.030 2 918 84 84 GLU HB3 H 2.072 0.030 2 919 84 84 GLU HG2 H 2.452 0.030 2 920 84 84 GLU HG3 H 2.053 0.030 2 921 84 84 GLU C C 176.160 0.300 1 922 84 84 GLU CA C 59.645 0.300 1 923 84 84 GLU CB C 30.374 0.300 1 924 84 84 GLU CG C 38.236 0.300 1 925 84 84 GLU N N 118.124 0.300 1 926 85 85 ASP H H 7.551 0.030 1 927 85 85 ASP HA H 4.524 0.030 1 928 85 85 ASP HB2 H 3.021 0.030 2 929 85 85 ASP HB3 H 2.973 0.030 2 930 85 85 ASP C C 175.504 0.300 1 931 85 85 ASP CA C 52.936 0.300 1 932 85 85 ASP CB C 42.415 0.300 1 933 85 85 ASP N N 111.191 0.300 1 934 86 86 GLU H H 9.110 0.030 1 935 86 86 GLU HA H 4.132 0.030 1 936 86 86 GLU HB2 H 2.114 0.030 1 937 86 86 GLU HB3 H 2.114 0.030 1 938 86 86 GLU HG2 H 2.343 0.030 1 939 86 86 GLU HG3 H 2.343 0.030 1 940 86 86 GLU C C 178.468 0.300 1 941 86 86 GLU CA C 60.277 0.300 1 942 86 86 GLU CB C 29.634 0.300 1 943 86 86 GLU CG C 37.114 0.300 1 944 86 86 GLU N N 119.741 0.300 1 945 87 87 GLN H H 8.455 0.030 1 946 87 87 GLN HA H 4.232 0.030 1 947 87 87 GLN HB2 H 2.251 0.030 2 948 87 87 GLN HB3 H 2.144 0.030 2 949 87 87 GLN HE21 H 7.679 0.030 2 950 87 87 GLN HE22 H 6.922 0.030 2 951 87 87 GLN HG2 H 2.489 0.030 1 952 87 87 GLN HG3 H 2.489 0.030 1 953 87 87 GLN C C 179.062 0.300 1 954 87 87 GLN CA C 59.135 0.300 1 955 87 87 GLN CB C 27.946 0.300 1 956 87 87 GLN CG C 34.511 0.300 1 957 87 87 GLN N N 120.345 0.300 1 958 87 87 GLN NE2 N 112.725 0.300 1 959 88 88 ASP H H 9.112 0.030 1 960 88 88 ASP HA H 4.787 0.030 1 961 88 88 ASP HB2 H 3.129 0.030 2 962 88 88 ASP HB3 H 2.798 0.030 2 963 88 88 ASP C C 178.165 0.300 1 964 88 88 ASP CA C 56.555 0.300 1 965 88 88 ASP CB C 41.496 0.300 1 966 88 88 ASP N N 122.354 0.300 1 967 89 89 TYR H H 8.157 0.030 1 968 89 89 TYR HA H 4.012 0.030 1 969 89 89 TYR HB2 H 3.448 0.030 2 970 89 89 TYR HB3 H 3.092 0.030 2 971 89 89 TYR HD1 H 7.011 0.030 1 972 89 89 TYR HD2 H 7.011 0.030 1 973 89 89 TYR HE1 H 6.740 0.030 1 974 89 89 TYR HE2 H 6.740 0.030 1 975 89 89 TYR C C 175.208 0.300 1 976 89 89 TYR CA C 62.700 0.300 1 977 89 89 TYR CB C 38.388 0.300 1 978 89 89 TYR CD1 C 132.813 0.300 1 979 89 89 TYR CD2 C 132.813 0.300 1 980 89 89 TYR CE1 C 118.850 0.300 1 981 89 89 TYR CE2 C 118.850 0.300 1 982 89 89 TYR N N 119.778 0.300 1 983 90 90 VAL H H 7.562 0.030 1 984 90 90 VAL HA H 3.261 0.030 1 985 90 90 VAL HB H 2.151 0.030 1 986 90 90 VAL HG1 H 1.253 0.030 1 987 90 90 VAL HG2 H 0.943 0.030 1 988 90 90 VAL C C 179.031 0.300 1 989 90 90 VAL CA C 66.054 0.300 1 990 90 90 VAL CB C 31.853 0.300 1 991 90 90 VAL CG1 C 22.708 0.300 2 992 90 90 VAL CG2 C 21.142 0.300 2 993 90 90 VAL N N 117.451 0.300 1 994 91 91 ALA H H 7.545 0.030 1 995 91 91 ALA HA H 3.156 0.030 1 996 91 91 ALA HB H 1.276 0.030 1 997 91 91 ALA C C 178.911 0.300 1 998 91 91 ALA CA C 55.115 0.300 1 999 91 91 ALA CB C 18.456 0.300 1 1000 91 91 ALA N N 123.248 0.300 1 1001 92 92 TRP H H 8.592 0.030 1 1002 92 92 TRP HA H 3.872 0.030 1 1003 92 92 TRP HB2 H 3.042 0.030 2 1004 92 92 TRP HB3 H 2.631 0.030 2 1005 92 92 TRP HD1 H 7.185 0.030 1 1006 92 92 TRP HE1 H 9.746 0.030 1 1007 92 92 TRP HE3 H 7.093 0.030 1 1008 92 92 TRP HH2 H 6.535 0.030 1 1009 92 92 TRP HZ2 H 6.804 0.030 1 1010 92 92 TRP HZ3 H 6.562 0.030 1 1011 92 92 TRP C C 178.422 0.300 1 1012 92 92 TRP CA C 61.559 0.300 1 1013 92 92 TRP CB C 28.975 0.300 1 1014 92 92 TRP CD1 C 128.409 0.300 1 1015 92 92 TRP CE3 C 119.201 0.300 1 1016 92 92 TRP CH2 C 123.646 0.300 1 1017 92 92 TRP CZ2 C 113.479 0.300 1 1018 92 92 TRP CZ3 C 120.754 0.300 1 1019 92 92 TRP N N 117.057 0.300 1 1020 92 92 TRP NE1 N 129.105 0.300 1 1021 93 93 ILE H H 8.138 0.030 1 1022 93 93 ILE HA H 3.213 0.030 1 1023 93 93 ILE HB H 1.412 0.030 1 1024 93 93 ILE HD1 H -0.098 0.030 1 1025 93 93 ILE HG12 H 0.552 0.030 2 1026 93 93 ILE HG13 H 0.640 0.030 2 1027 93 93 ILE HG2 H 0.467 0.030 1 1028 93 93 ILE C C 179.537 0.300 1 1029 93 93 ILE CA C 63.297 0.300 1 1030 93 93 ILE CB C 35.578 0.300 1 1031 93 93 ILE CD1 C 9.526 0.300 1 1032 93 93 ILE CG1 C 26.675 0.300 1 1033 93 93 ILE CG2 C 17.305 0.300 1 1034 93 93 ILE N N 116.414 0.300 1 1035 94 94 SER H H 7.790 0.030 1 1036 94 94 SER HA H 4.062 0.030 1 1037 94 94 SER HB2 H 3.707 0.030 2 1038 94 94 SER HB3 H 3.630 0.030 2 1039 94 94 SER C C 175.257 0.300 1 1040 94 94 SER CA C 62.261 0.300 1 1041 94 94 SER CB C 62.942 0.300 1 1042 94 94 SER N N 117.660 0.300 1 1043 95 95 VAL H H 8.223 0.030 1 1044 95 95 VAL HA H 3.924 0.030 1 1045 95 95 VAL HB H 1.734 0.030 1 1046 95 95 VAL HG1 H 0.543 0.030 1 1047 95 95 VAL HG2 H 0.738 0.030 1 1048 95 95 VAL C C 178.371 0.300 1 1049 95 95 VAL CA C 65.826 0.300 1 1050 95 95 VAL CB C 31.073 0.300 1 1051 95 95 VAL CG1 C 20.997 0.300 2 1052 95 95 VAL CG2 C 22.810 0.300 2 1053 95 95 VAL N N 121.215 0.300 1 1054 96 96 LEU H H 8.584 0.030 1 1055 96 96 LEU HA H 3.863 0.030 1 1056 96 96 LEU HB2 H 1.791 0.030 2 1057 96 96 LEU HB3 H 1.171 0.030 2 1058 96 96 LEU HD1 H 0.512 0.030 1 1059 96 96 LEU HD2 H 0.835 0.030 1 1060 96 96 LEU HG H 2.050 0.030 1 1061 96 96 LEU C C 178.589 0.300 1 1062 96 96 LEU CA C 58.503 0.300 1 1063 96 96 LEU CB C 41.866 0.300 1 1064 96 96 LEU CD1 C 27.176 0.300 2 1065 96 96 LEU CD2 C 24.850 0.300 2 1066 96 96 LEU CG C 27.286 0.300 1 1067 96 96 LEU N N 119.797 0.300 1 1068 97 97 THR H H 7.723 0.030 1 1069 97 97 THR HA H 3.835 0.030 1 1070 97 97 THR HB H 4.282 0.030 1 1071 97 97 THR HG2 H 1.222 0.030 1 1072 97 97 THR C C 176.435 0.300 1 1073 97 97 THR CA C 66.413 0.300 1 1074 97 97 THR CB C 69.005 0.300 1 1075 97 97 THR CG2 C 21.054 0.300 1 1076 97 97 THR N N 113.523 0.300 1 1077 98 98 ASN H H 8.564 0.030 1 1078 98 98 ASN HA H 4.392 0.030 1 1079 98 98 ASN HB2 H 2.682 0.030 2 1080 98 98 ASN HB3 H 2.885 0.030 2 1081 98 98 ASN HD21 H 6.804 0.030 2 1082 98 98 ASN HD22 H 7.550 0.030 2 1083 98 98 ASN C C 177.805 0.300 1 1084 98 98 ASN CA C 55.448 0.300 1 1085 98 98 ASN CB C 37.525 0.300 1 1086 98 98 ASN N N 121.808 0.300 1 1087 98 98 ASN ND2 N 111.252 0.300 1 1088 99 99 SER H H 8.840 0.030 1 1089 99 99 SER HA H 4.071 0.030 1 1090 99 99 SER HB2 H 3.680 0.030 2 1091 99 99 SER HB3 H 4.012 0.030 2 1092 99 99 SER C C 177.143 0.300 1 1093 99 99 SER CA C 61.928 0.300 1 1094 99 99 SER CB C 63.824 0.300 1 1095 99 99 SER N N 115.788 0.300 1 1096 100 100 LYS H H 7.836 0.030 1 1097 100 100 LYS HA H 3.832 0.030 1 1098 100 100 LYS HB2 H 2.040 0.030 2 1099 100 100 LYS HB3 H 1.782 0.030 2 1100 100 100 LYS HD2 H 1.771 0.030 2 1101 100 100 LYS HD3 H 1.724 0.030 2 1102 100 100 LYS HE2 H 3.133 0.030 1 1103 100 100 LYS HE3 H 3.133 0.030 1 1104 100 100 LYS HG2 H 1.473 0.030 2 1105 100 100 LYS HG3 H 1.332 0.030 2 1106 100 100 LYS C C 177.518 0.300 1 1107 100 100 LYS CA C 59.925 0.300 1 1108 100 100 LYS CB C 32.264 0.300 1 1109 100 100 LYS CD C 29.141 0.300 1 1110 100 100 LYS CE C 42.311 0.300 1 1111 100 100 LYS CG C 25.524 0.300 1 1112 100 100 LYS N N 119.599 0.300 1 1113 101 101 GLU H H 7.934 0.030 1 1114 101 101 GLU HA H 4.070 0.030 1 1115 101 101 GLU HB2 H 2.111 0.030 1 1116 101 101 GLU HB3 H 2.111 0.030 1 1117 101 101 GLU HG2 H 2.391 0.030 2 1118 101 101 GLU HG3 H 2.287 0.030 2 1119 101 101 GLU C C 179.271 0.300 1 1120 101 101 GLU CA C 59.153 0.300 1 1121 101 101 GLU CB C 29.346 0.300 1 1122 101 101 GLU CG C 36.127 0.300 1 1123 101 101 GLU N N 118.220 0.300 1 1124 102 102 GLU H H 8.295 0.030 1 1125 102 102 GLU HA H 4.065 0.030 1 1126 102 102 GLU HB2 H 2.114 0.030 1 1127 102 102 GLU HB3 H 2.114 0.030 1 1128 102 102 GLU HG2 H 2.382 0.030 2 1129 102 102 GLU HG3 H 2.222 0.030 2 1130 102 102 GLU C C 178.374 0.300 1 1131 102 102 GLU CA C 58.925 0.300 1 1132 102 102 GLU CB C 29.922 0.300 1 1133 102 102 GLU CG C 36.635 0.300 1 1134 102 102 GLU N N 120.548 0.300 1 1135 103 103 ALA H H 8.222 0.030 1 1136 103 103 ALA HA H 4.174 0.030 1 1137 103 103 ALA HB H 1.521 0.030 1 1138 103 103 ALA C C 179.815 0.300 1 1139 103 103 ALA CA C 54.465 0.300 1 1140 103 103 ALA CB C 18.319 0.300 1 1141 103 103 ALA N N 122.612 0.300 1 1142 104 104 LEU H H 8.112 0.030 1 1143 104 104 LEU HA H 4.122 0.030 1 1144 104 104 LEU HB2 H 1.873 0.030 2 1145 104 104 LEU HB3 H 1.672 0.030 2 1146 104 104 LEU HD1 H 0.953 0.030 1 1147 104 104 LEU HD2 H 0.939 0.030 1 1148 104 104 LEU HG H 1.751 0.030 1 1149 104 104 LEU C C 178.915 0.300 1 1150 104 104 LEU CA C 57.309 0.300 1 1151 104 104 LEU CB C 42.350 0.300 1 1152 104 104 LEU CD1 C 25.339 0.300 2 1153 104 104 LEU CD2 C 24.081 0.300 2 1154 104 104 LEU CG C 26.963 0.300 1 1155 104 104 LEU N N 119.697 0.300 1 1156 105 105 THR H H 7.910 0.030 1 1157 105 105 THR HA H 4.163 0.030 1 1158 105 105 THR HB H 4.313 0.030 1 1159 105 105 THR HG2 H 1.256 0.030 1 1160 105 105 THR C C 175.920 0.300 1 1161 105 105 THR CA C 64.210 0.300 1 1162 105 105 THR CB C 69.388 0.300 1 1163 105 105 THR CG2 C 21.708 0.300 1 1164 105 105 THR N N 113.064 0.300 1 1165 106 106 MET H H 7.943 0.030 1 1166 106 106 MET HA H 4.339 0.030 1 1167 106 106 MET HB2 H 2.063 0.030 1 1168 106 106 MET HB3 H 2.063 0.030 1 1169 106 106 MET HE H 2.041 0.030 1 1170 106 106 MET HG2 H 2.611 0.030 2 1171 106 106 MET HG3 H 2.544 0.030 2 1172 106 106 MET C C 176.645 0.300 1 1173 106 106 MET CA C 56.484 0.300 1 1174 106 106 MET CB C 32.429 0.300 1 1175 106 106 MET CE C 16.887 0.300 1 1176 106 106 MET CG C 32.082 0.300 1 1177 106 106 MET N N 120.582 0.300 1 1178 107 107 ALA H H 7.893 0.030 1 1179 107 107 ALA HA H 4.201 0.030 1 1180 107 107 ALA HB H 1.302 0.030 1 1181 107 107 ALA C C 177.811 0.300 1 1182 107 107 ALA CA C 53.165 0.300 1 1183 107 107 ALA CB C 18.836 0.300 1 1184 107 107 ALA N N 122.969 0.300 1 1185 108 108 PHE H H 7.987 0.030 1 1186 108 108 PHE HA H 4.656 0.030 1 1187 108 108 PHE HB2 H 3.202 0.030 2 1188 108 108 PHE HB3 H 3.071 0.030 2 1189 108 108 PHE HD1 H 7.291 0.030 1 1190 108 108 PHE HD2 H 7.291 0.030 1 1191 108 108 PHE HE1 H 7.273 0.030 1 1192 108 108 PHE HE2 H 7.273 0.030 1 1193 108 108 PHE HZ H 7.334 0.030 1 1194 108 108 PHE C C 175.999 0.300 1 1195 108 108 PHE CA C 57.924 0.300 1 1196 108 108 PHE CB C 39.463 0.300 1 1197 108 108 PHE CD1 C 131.951 0.300 1 1198 108 108 PHE CD2 C 131.951 0.300 1 1199 108 108 PHE CE1 C 129.755 0.300 1 1200 108 108 PHE CE2 C 129.755 0.300 1 1201 108 108 PHE CZ C 131.392 0.300 1 1202 108 108 PHE N N 118.228 0.300 1 1203 109 109 SER H H 8.107 0.030 1 1204 109 109 SER HA H 4.478 0.030 1 1205 109 109 SER HB2 H 3.863 0.030 1 1206 109 109 SER HB3 H 3.863 0.030 1 1207 109 109 SER C C 174.381 0.300 1 1208 109 109 SER CA C 58.328 0.300 1 1209 109 109 SER CB C 64.155 0.300 1 1210 109 109 SER N N 117.111 0.300 1 1211 110 110 GLY H H 7.858 0.030 1 1212 110 110 GLY HA2 H 4.092 0.030 2 1213 110 110 GLY HA3 H 4.049 0.030 2 1214 110 110 GLY C C 171.584 0.300 1 1215 110 110 GLY CA C 44.736 0.300 1 1216 110 110 GLY N N 110.420 0.300 1 1217 111 111 PRO HA H 4.474 0.030 1 1218 111 111 PRO HB2 H 2.292 0.030 2 1219 111 111 PRO HB3 H 1.971 0.030 2 1220 111 111 PRO HD2 H 3.629 0.030 1 1221 111 111 PRO HD3 H 3.629 0.030 1 1222 111 111 PRO HG2 H 2.011 0.030 1 1223 111 111 PRO HG3 H 2.011 0.030 1 1224 111 111 PRO C C 177.392 0.300 1 1225 111 111 PRO CA C 63.244 0.300 1 1226 111 111 PRO CB C 32.213 0.300 1 1227 111 111 PRO CD C 49.804 0.300 1 1228 111 111 PRO CG C 27.168 0.300 1 1229 112 112 SER H H 8.521 0.030 1 1230 112 112 SER C C 174.660 0.300 1 1231 112 112 SER CA C 58.363 0.300 1 1232 112 112 SER CB C 63.991 0.300 1 1233 112 112 SER N N 116.418 0.300 1 stop_ save_