data_10311 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of PEPP-3 from human ; _BMRB_accession_number 10311 _BMRB_flat_file_name bmr10311.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 Tochio N. . . 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" 670 "13C chemical shifts" 502 "15N chemical shifts" 116 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 PEPP-3 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 Tochio N. . . 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 homology domain-containing protein family A member 6' _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 117 _Mol_residue_sequence ; GSSGSSGNAPVTKAGWLFKQ ASSGVKQWNKRWFVLVDRCL FYYKDEKEESILGSIPLLSF RVAAVQPSDNISRKHTFKAE HAGVRTYFFSAESPEEQEAW IQAMGEAARVQSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 ALA 10 PRO 11 VAL 12 THR 13 LYS 14 ALA 15 GLY 16 TRP 17 LEU 18 PHE 19 LYS 20 GLN 21 ALA 22 SER 23 SER 24 GLY 25 VAL 26 LYS 27 GLN 28 TRP 29 ASN 30 LYS 31 ARG 32 TRP 33 PHE 34 VAL 35 LEU 36 VAL 37 ASP 38 ARG 39 CYS 40 LEU 41 PHE 42 TYR 43 TYR 44 LYS 45 ASP 46 GLU 47 LYS 48 GLU 49 GLU 50 SER 51 ILE 52 LEU 53 GLY 54 SER 55 ILE 56 PRO 57 LEU 58 LEU 59 SER 60 PHE 61 ARG 62 VAL 63 ALA 64 ALA 65 VAL 66 GLN 67 PRO 68 SER 69 ASP 70 ASN 71 ILE 72 SER 73 ARG 74 LYS 75 HIS 76 THR 77 PHE 78 LYS 79 ALA 80 GLU 81 HIS 82 ALA 83 GLY 84 VAL 85 ARG 86 THR 87 TYR 88 PHE 89 PHE 90 SER 91 ALA 92 GLU 93 SER 94 PRO 95 GLU 96 GLU 97 GLN 98 GLU 99 ALA 100 TRP 101 ILE 102 GLN 103 ALA 104 MET 105 GLY 106 GLU 107 ALA 108 ALA 109 ARG 110 VAL 111 GLN 112 SER 113 GLY 114 PRO 115 SER 116 SER 117 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 2D9Y "Solution Structure Of The Ph Domain Of Pepp-3 From Human" 100.00 117 100.00 100.00 5.43e-79 DBJ BAA76813 "KIAA0969 protein [Homo sapiens]" 92.31 1091 97.22 98.15 7.49e-66 DBJ BAG09923 "pleckstrin homology domain-containing protein, family A member 6 [synthetic construct]" 92.31 1048 97.22 98.15 4.50e-66 GB AAI52476 "Pleckstrin homology domain containing, family A member 6 [Homo sapiens]" 92.31 1048 97.22 98.15 4.50e-66 GB AAI67845 "Pleckstrin homology domain containing, family A member 6 [synthetic construct]" 92.31 1048 97.22 98.15 5.18e-66 GB EAW91509 "pleckstrin homology domain containing, family A member 6, isoform CRA_a [Homo sapiens]" 92.31 1152 97.22 98.15 2.74e-65 GB EAW91510 "pleckstrin homology domain containing, family A member 6, isoform CRA_b [Homo sapiens]" 92.31 1048 97.22 98.15 4.78e-66 REF NP_055750 "pleckstrin homology domain-containing family A member 6 [Homo sapiens]" 92.31 1048 97.22 98.15 5.18e-66 REF XP_002808300 "PREDICTED: LOW QUALITY PROTEIN: pleckstrin homology domain-containing family A member 6-like [Macaca mulatta]" 92.31 1048 97.22 98.15 5.34e-66 REF XP_002918242 "PREDICTED: pleckstrin homology domain-containing family A member 6 [Ailuropoda melanoleuca]" 92.31 1141 97.22 98.15 2.05e-65 REF XP_003474853 "PREDICTED: pleckstrin homology domain-containing family A member 6 isoform X3 [Cavia porcellus]" 91.45 1278 97.20 98.13 8.56e-64 REF XP_003505811 "PREDICTED: pleckstrin homology domain-containing family A member 6 isoform X5 [Cricetulus griseus]" 91.45 1049 97.20 98.13 5.84e-65 SP Q9Y2H5 "RecName: Full=Pleckstrin homology domain-containing family A member 6; Short=PH domain-containing family A member 6; AltName: F" 92.31 1048 97.22 98.15 5.18e-66 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 P050711-08 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 1.14 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 900 _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 4.450 0.030 1 2 6 6 SER HB2 H 3.879 0.030 1 3 6 6 SER HB3 H 3.879 0.030 1 4 6 6 SER C C 174.998 0.300 1 5 6 6 SER CA C 58.618 0.300 1 6 6 6 SER CB C 63.673 0.300 1 7 7 7 GLY H H 8.353 0.030 1 8 7 7 GLY HA2 H 3.937 0.030 1 9 7 7 GLY HA3 H 3.937 0.030 1 10 7 7 GLY C C 173.875 0.300 1 11 7 7 GLY CA C 45.376 0.300 1 12 7 7 GLY N N 110.521 0.300 1 13 8 8 ASN H H 8.289 0.030 1 14 8 8 ASN HA H 4.708 0.030 1 15 8 8 ASN HB2 H 2.797 0.030 2 16 8 8 ASN HB3 H 2.677 0.030 2 17 8 8 ASN HD21 H 7.554 0.030 2 18 8 8 ASN HD22 H 6.895 0.030 2 19 8 8 ASN C C 174.588 0.300 1 20 8 8 ASN CA C 53.009 0.300 1 21 8 8 ASN CB C 39.110 0.300 1 22 8 8 ASN N N 118.518 0.300 1 23 8 8 ASN ND2 N 112.937 0.300 1 24 9 9 ALA H H 8.194 0.030 1 25 9 9 ALA HA H 4.568 0.030 1 26 9 9 ALA HB H 1.327 0.030 1 27 9 9 ALA C C 175.054 0.300 1 28 9 9 ALA CA C 50.564 0.300 1 29 9 9 ALA CB C 18.412 0.300 1 30 9 9 ALA N N 125.464 0.300 1 31 10 10 PRO HA H 4.457 0.030 1 32 10 10 PRO HB2 H 2.220 0.030 2 33 10 10 PRO HB3 H 1.880 0.030 2 34 10 10 PRO HD2 H 3.747 0.030 2 35 10 10 PRO HD3 H 3.640 0.030 2 36 10 10 PRO HG2 H 2.007 0.030 1 37 10 10 PRO HG3 H 2.007 0.030 1 38 10 10 PRO C C 176.547 0.300 1 39 10 10 PRO CA C 62.628 0.300 1 40 10 10 PRO CB C 31.884 0.300 1 41 10 10 PRO CD C 50.397 0.300 1 42 10 10 PRO CG C 27.262 0.300 1 43 11 11 VAL H H 8.306 0.030 1 44 11 11 VAL HA H 4.032 0.030 1 45 11 11 VAL HB H 1.988 0.030 1 46 11 11 VAL HG1 H 0.897 0.030 1 47 11 11 VAL HG2 H 0.840 0.030 1 48 11 11 VAL C C 176.846 0.300 1 49 11 11 VAL CA C 62.575 0.300 1 50 11 11 VAL CB C 32.969 0.300 1 51 11 11 VAL CG1 C 21.004 0.300 2 52 11 11 VAL CG2 C 21.749 0.300 2 53 11 11 VAL N N 121.119 0.300 1 54 12 12 THR H H 8.818 0.030 1 55 12 12 THR HA H 4.216 0.030 1 56 12 12 THR HB H 3.886 0.030 1 57 12 12 THR HG2 H 1.167 0.030 1 58 12 12 THR C C 173.848 0.300 1 59 12 12 THR CA C 64.510 0.300 1 60 12 12 THR CB C 69.339 0.300 1 61 12 12 THR CG2 C 22.076 0.300 1 62 12 12 THR N N 123.608 0.300 1 63 13 13 LYS H H 7.442 0.030 1 64 13 13 LYS HA H 4.056 0.030 1 65 13 13 LYS HB2 H 1.197 0.030 2 66 13 13 LYS HB3 H 0.707 0.030 2 67 13 13 LYS HD2 H 0.696 0.030 2 68 13 13 LYS HD3 H -0.482 0.030 2 69 13 13 LYS HE2 H 1.027 0.030 2 70 13 13 LYS HE3 H 1.549 0.030 2 71 13 13 LYS HG2 H -0.183 0.030 2 72 13 13 LYS HG3 H 0.706 0.030 2 73 13 13 LYS C C 171.457 0.300 1 74 13 13 LYS CA C 56.455 0.300 1 75 13 13 LYS CB C 35.188 0.300 1 76 13 13 LYS CD C 28.462 0.300 1 77 13 13 LYS CE C 40.162 0.300 1 78 13 13 LYS CG C 24.975 0.300 1 79 13 13 LYS N N 121.090 0.300 1 80 14 14 ALA H H 8.042 0.030 1 81 14 14 ALA HA H 5.538 0.030 1 82 14 14 ALA HB H 1.226 0.030 1 83 14 14 ALA C C 176.844 0.300 1 84 14 14 ALA CA C 50.282 0.300 1 85 14 14 ALA CB C 23.227 0.300 1 86 14 14 ALA N N 127.135 0.300 1 87 15 15 GLY H H 8.505 0.030 1 88 15 15 GLY HA2 H 4.307 0.030 2 89 15 15 GLY HA3 H 3.347 0.030 2 90 15 15 GLY C C 171.135 0.300 1 91 15 15 GLY CA C 45.727 0.300 1 92 15 15 GLY N N 110.134 0.300 1 93 16 16 TRP H H 8.727 0.030 1 94 16 16 TRP HA H 5.467 0.030 1 95 16 16 TRP HB2 H 3.327 0.030 2 96 16 16 TRP HB3 H 2.987 0.030 2 97 16 16 TRP HD1 H 7.762 0.030 1 98 16 16 TRP HE1 H 10.521 0.030 1 99 16 16 TRP HE3 H 7.598 0.030 1 100 16 16 TRP HH2 H 7.406 0.030 1 101 16 16 TRP HZ2 H 7.687 0.030 1 102 16 16 TRP HZ3 H 7.107 0.030 1 103 16 16 TRP C C 177.882 0.300 1 104 16 16 TRP CA C 57.123 0.300 1 105 16 16 TRP CB C 31.243 0.300 1 106 16 16 TRP CD1 C 128.773 0.300 1 107 16 16 TRP CE3 C 120.756 0.300 1 108 16 16 TRP CH2 C 124.387 0.300 1 109 16 16 TRP CZ2 C 115.361 0.300 1 110 16 16 TRP CZ3 C 121.813 0.300 1 111 16 16 TRP N N 119.681 0.300 1 112 16 16 TRP NE1 N 130.847 0.300 1 113 17 17 LEU H H 9.288 0.030 1 114 17 17 LEU HA H 4.736 0.030 1 115 17 17 LEU HB2 H 1.277 0.030 2 116 17 17 LEU HB3 H 0.847 0.030 2 117 17 17 LEU HD1 H -1.286 0.030 1 118 17 17 LEU HD2 H 0.347 0.030 1 119 17 17 LEU HG H 0.749 0.030 1 120 17 17 LEU C C 176.116 0.300 1 121 17 17 LEU CA C 54.661 0.300 1 122 17 17 LEU CB C 47.501 0.300 1 123 17 17 LEU CD1 C 22.714 0.300 2 124 17 17 LEU CD2 C 23.677 0.300 2 125 17 17 LEU CG C 26.234 0.300 1 126 17 17 LEU N N 120.839 0.300 1 127 18 18 PHE H H 9.054 0.030 1 128 18 18 PHE HA H 5.407 0.030 1 129 18 18 PHE HB2 H 3.267 0.030 2 130 18 18 PHE HB3 H 2.887 0.030 2 131 18 18 PHE HD1 H 7.124 0.030 1 132 18 18 PHE HD2 H 7.124 0.030 1 133 18 18 PHE HE1 H 7.390 0.030 1 134 18 18 PHE HE2 H 7.390 0.030 1 135 18 18 PHE HZ H 7.357 0.030 1 136 18 18 PHE C C 175.573 0.300 1 137 18 18 PHE CA C 57.634 0.300 1 138 18 18 PHE CB C 40.785 0.300 1 139 18 18 PHE CD1 C 131.768 0.300 1 140 18 18 PHE CD2 C 131.768 0.300 1 141 18 18 PHE CE1 C 131.834 0.300 1 142 18 18 PHE CE2 C 131.834 0.300 1 143 18 18 PHE CZ C 130.368 0.300 1 144 18 18 PHE N N 118.098 0.300 1 145 19 19 LYS H H 9.452 0.030 1 146 19 19 LYS HA H 5.237 0.030 1 147 19 19 LYS HB2 H 1.776 0.030 1 148 19 19 LYS HB3 H 1.776 0.030 1 149 19 19 LYS HD2 H 1.136 0.030 2 150 19 19 LYS HD3 H 1.414 0.030 2 151 19 19 LYS HE2 H 2.635 0.030 2 152 19 19 LYS HE3 H 2.826 0.030 2 153 19 19 LYS HG2 H 1.137 0.030 2 154 19 19 LYS HG3 H 1.371 0.030 2 155 19 19 LYS C C 175.818 0.300 1 156 19 19 LYS CA C 54.116 0.300 1 157 19 19 LYS CB C 35.969 0.300 1 158 19 19 LYS CD C 29.311 0.300 1 159 19 19 LYS CE C 41.267 0.300 1 160 19 19 LYS CG C 23.521 0.300 1 161 19 19 LYS N N 122.911 0.300 1 162 20 20 GLN H H 8.005 0.030 1 163 20 20 GLN HA H 3.556 0.030 1 164 20 20 GLN HB2 H 1.488 0.030 2 165 20 20 GLN HB3 H 0.077 0.030 2 166 20 20 GLN HE21 H 6.539 0.030 2 167 20 20 GLN HE22 H 6.283 0.030 2 168 20 20 GLN HG2 H 0.817 0.030 2 169 20 20 GLN HG3 H 1.732 0.030 2 170 20 20 GLN C C 175.991 0.300 1 171 20 20 GLN CA C 56.491 0.300 1 172 20 20 GLN CB C 28.817 0.300 1 173 20 20 GLN CG C 34.243 0.300 1 174 20 20 GLN N N 130.641 0.300 1 175 20 20 GLN NE2 N 109.869 0.300 1 176 21 21 ALA H H 8.658 0.030 1 177 21 21 ALA HA H 4.327 0.030 1 178 21 21 ALA HB H 1.446 0.030 1 179 21 21 ALA C C 177.815 0.300 1 180 21 21 ALA CA C 53.026 0.300 1 181 21 21 ALA CB C 19.939 0.300 1 182 21 21 ALA N N 131.679 0.300 1 183 23 23 SER HA H 4.464 0.030 1 184 23 23 SER HB2 H 3.906 0.030 2 185 23 23 SER C C 175.045 0.300 1 186 23 23 SER CA C 58.583 0.300 1 187 23 23 SER CB C 63.673 0.300 1 188 24 24 GLY H H 8.438 0.030 1 189 24 24 GLY HA2 H 4.067 0.030 2 190 24 24 GLY HA3 H 3.759 0.030 2 191 24 24 GLY C C 174.422 0.300 1 192 24 24 GLY CA C 45.516 0.300 1 193 24 24 GLY N N 110.838 0.300 1 194 25 25 VAL H H 7.946 0.030 1 195 25 25 VAL HA H 4.019 0.030 1 196 25 25 VAL HB H 2.107 0.030 1 197 25 25 VAL HG1 H 0.897 0.030 1 198 25 25 VAL HG2 H 0.907 0.030 1 199 25 25 VAL C C 176.357 0.300 1 200 25 25 VAL CA C 62.312 0.300 1 201 25 25 VAL CB C 32.066 0.300 1 202 25 25 VAL CG1 C 21.122 0.300 2 203 25 25 VAL CG2 C 20.164 0.300 2 204 25 25 VAL N N 119.277 0.300 1 205 26 26 LYS H H 8.391 0.030 1 206 26 26 LYS HA H 4.020 0.030 1 207 26 26 LYS HB2 H 1.757 0.030 2 208 26 26 LYS HB3 H 1.696 0.030 2 209 26 26 LYS HD2 H 1.578 0.030 1 210 26 26 LYS HD3 H 1.578 0.030 1 211 26 26 LYS HE2 H 2.915 0.030 1 212 26 26 LYS HE3 H 2.915 0.030 1 213 26 26 LYS HG2 H 1.345 0.030 2 214 26 26 LYS HG3 H 1.223 0.030 2 215 26 26 LYS C C 175.566 0.300 1 216 26 26 LYS CA C 56.807 0.300 1 217 26 26 LYS CB C 30.667 0.300 1 218 26 26 LYS CD C 29.228 0.300 1 219 26 26 LYS CE C 42.299 0.300 1 220 26 26 LYS CG C 24.908 0.300 1 221 26 26 LYS N N 123.277 0.300 1 222 27 27 GLN H H 7.801 0.030 1 223 27 27 GLN HA H 4.488 0.030 1 224 27 27 GLN HB2 H 1.973 0.030 1 225 27 27 GLN HB3 H 1.973 0.030 1 226 27 27 GLN HE21 H 7.617 0.030 2 227 27 27 GLN HE22 H 6.899 0.030 2 228 27 27 GLN HG2 H 2.257 0.030 1 229 27 27 GLN HG3 H 2.257 0.030 1 230 27 27 GLN C C 174.191 0.300 1 231 27 27 GLN CA C 55.347 0.300 1 232 27 27 GLN CB C 30.667 0.300 1 233 27 27 GLN CG C 33.468 0.300 1 234 27 27 GLN N N 120.443 0.300 1 235 27 27 GLN NE2 N 112.539 0.300 1 236 28 28 TRP H H 8.807 0.030 1 237 28 28 TRP HA H 4.897 0.030 1 238 28 28 TRP HB2 H 2.987 0.030 1 239 28 28 TRP HB3 H 2.987 0.030 1 240 28 28 TRP HD1 H 7.219 0.030 1 241 28 28 TRP HE1 H 10.130 0.030 1 242 28 28 TRP HE3 H 7.028 0.030 1 243 28 28 TRP HH2 H 6.738 0.030 1 244 28 28 TRP HZ2 H 7.238 0.030 1 245 28 28 TRP HZ3 H 6.555 0.030 1 246 28 28 TRP C C 175.465 0.300 1 247 28 28 TRP CA C 56.104 0.300 1 248 28 28 TRP CB C 30.708 0.300 1 249 28 28 TRP CD1 C 127.814 0.300 1 250 28 28 TRP CE3 C 119.469 0.300 1 251 28 28 TRP CH2 C 123.604 0.300 1 252 28 28 TRP CZ2 C 114.403 0.300 1 253 28 28 TRP CZ3 C 121.853 0.300 1 254 28 28 TRP N N 123.061 0.300 1 255 28 28 TRP NE1 N 130.487 0.300 1 256 29 29 ASN H H 8.899 0.030 1 257 29 29 ASN HA H 5.327 0.030 1 258 29 29 ASN HB2 H 2.797 0.030 2 259 29 29 ASN HB3 H 2.506 0.030 2 260 29 29 ASN HD21 H 7.928 0.030 2 261 29 29 ASN HD22 H 7.180 0.030 2 262 29 29 ASN C C 173.809 0.300 1 263 29 29 ASN CA C 52.252 0.300 1 264 29 29 ASN CB C 41.495 0.300 1 265 29 29 ASN N N 120.289 0.300 1 266 29 29 ASN ND2 N 114.207 0.300 1 267 30 30 LYS H H 9.298 0.030 1 268 30 30 LYS HA H 4.205 0.030 1 269 30 30 LYS HB2 H 1.633 0.030 2 270 30 30 LYS HB3 H 1.007 0.030 2 271 30 30 LYS HD2 H 1.167 0.030 2 272 30 30 LYS HD3 H 1.061 0.030 2 273 30 30 LYS HE2 H 2.125 0.030 2 274 30 30 LYS HE3 H 1.911 0.030 2 275 30 30 LYS HG2 H 0.306 0.030 2 276 30 30 LYS HG3 H 1.173 0.030 2 277 30 30 LYS C C 176.312 0.300 1 278 30 30 LYS CA C 57.176 0.300 1 279 30 30 LYS CB C 32.558 0.300 1 280 30 30 LYS CD C 29.298 0.300 1 281 30 30 LYS CE C 41.156 0.300 1 282 30 30 LYS CG C 25.757 0.300 1 283 30 30 LYS N N 128.070 0.300 1 284 31 31 ARG H H 9.446 0.030 1 285 31 31 ARG HA H 5.065 0.030 1 286 31 31 ARG HB2 H 1.886 0.030 2 287 31 31 ARG HB3 H 1.997 0.030 2 288 31 31 ARG HD2 H 2.942 0.030 2 289 31 31 ARG HD3 H 3.737 0.030 2 290 31 31 ARG HG2 H 1.654 0.030 2 291 31 31 ARG HG3 H 1.532 0.030 2 292 31 31 ARG C C 172.446 0.300 1 293 31 31 ARG CA C 53.431 0.300 1 294 31 31 ARG CB C 34.186 0.300 1 295 31 31 ARG CD C 43.697 0.300 1 296 31 31 ARG CG C 26.633 0.300 1 297 31 31 ARG N N 127.717 0.300 1 298 32 32 TRP H H 8.071 0.030 1 299 32 32 TRP HA H 4.409 0.030 1 300 32 32 TRP HB2 H 2.447 0.030 2 301 32 32 TRP HB3 H 1.627 0.030 2 302 32 32 TRP HD1 H 6.390 0.030 1 303 32 32 TRP HE1 H 10.657 0.030 1 304 32 32 TRP HE3 H 5.127 0.030 1 305 32 32 TRP HH2 H 6.955 0.030 1 306 32 32 TRP HZ2 H 7.135 0.030 1 307 32 32 TRP HZ3 H 6.565 0.030 1 308 32 32 TRP C C 174.384 0.300 1 309 32 32 TRP CA C 56.068 0.300 1 310 32 32 TRP CB C 29.763 0.300 1 311 32 32 TRP CD1 C 127.223 0.300 1 312 32 32 TRP CE3 C 119.326 0.300 1 313 32 32 TRP CH2 C 123.264 0.300 1 314 32 32 TRP CZ2 C 114.608 0.300 1 315 32 32 TRP CZ3 C 121.306 0.300 1 316 32 32 TRP N N 123.936 0.300 1 317 32 32 TRP NE1 N 130.491 0.300 1 318 33 33 PHE H H 8.706 0.030 1 319 33 33 PHE HA H 5.086 0.030 1 320 33 33 PHE HB2 H 2.700 0.030 2 321 33 33 PHE HB3 H 2.296 0.030 2 322 33 33 PHE HD1 H 6.971 0.030 1 323 33 33 PHE HD2 H 6.971 0.030 1 324 33 33 PHE HE1 H 6.767 0.030 1 325 33 33 PHE HE2 H 6.767 0.030 1 326 33 33 PHE HZ H 6.413 0.030 1 327 33 33 PHE C C 174.554 0.300 1 328 33 33 PHE CA C 56.982 0.300 1 329 33 33 PHE CB C 42.833 0.300 1 330 33 33 PHE CD1 C 132.151 0.300 1 331 33 33 PHE CD2 C 132.151 0.300 1 332 33 33 PHE CE1 C 130.969 0.300 1 333 33 33 PHE CE2 C 130.969 0.300 1 334 33 33 PHE CZ C 127.245 0.300 1 335 33 33 PHE N N 127.478 0.300 1 336 34 34 VAL H H 9.159 0.030 1 337 34 34 VAL HA H 4.527 0.030 1 338 34 34 VAL HB H 2.186 0.030 1 339 34 34 VAL HG1 H 1.017 0.030 1 340 34 34 VAL HG2 H 0.895 0.030 1 341 34 34 VAL C C 174.420 0.300 1 342 34 34 VAL CA C 61.908 0.300 1 343 34 34 VAL CB C 36.293 0.300 1 344 34 34 VAL CG1 C 22.499 0.300 2 345 34 34 VAL CG2 C 22.140 0.300 2 346 34 34 VAL N N 118.212 0.300 1 347 35 35 LEU H H 9.339 0.030 1 348 35 35 LEU HA H 5.333 0.030 1 349 35 35 LEU HB2 H 2.037 0.030 2 350 35 35 LEU HB3 H 1.378 0.030 2 351 35 35 LEU HD1 H 0.667 0.030 1 352 35 35 LEU HD2 H 0.707 0.030 1 353 35 35 LEU HG H 1.501 0.030 1 354 35 35 LEU C C 174.553 0.300 1 355 35 35 LEU CA C 53.694 0.300 1 356 35 35 LEU CB C 44.566 0.300 1 357 35 35 LEU CD1 C 23.861 0.300 2 358 35 35 LEU CD2 C 27.092 0.300 2 359 35 35 LEU CG C 27.717 0.300 1 360 35 35 LEU N N 129.793 0.300 1 361 36 36 VAL H H 8.914 0.030 1 362 36 36 VAL HA H 4.510 0.030 1 363 36 36 VAL HB H 2.177 0.030 1 364 36 36 VAL HG1 H 1.007 0.030 1 365 36 36 VAL HG2 H 0.981 0.030 1 366 36 36 VAL CA C 61.148 0.300 1 367 36 36 VAL CB C 34.274 0.300 1 368 36 36 VAL CG1 C 21.609 0.300 2 369 36 36 VAL CG2 C 20.491 0.300 2 370 36 36 VAL N N 127.092 0.300 1 371 37 37 ASP H H 9.462 0.030 1 372 37 37 ASP HA H 4.202 0.030 1 373 37 37 ASP HB2 H 2.642 0.030 2 374 37 37 ASP HB3 H 3.110 0.030 2 375 37 37 ASP CA C 56.263 0.300 1 376 37 37 ASP CB C 39.697 0.300 1 377 37 37 ASP N N 128.387 0.300 1 378 38 38 ARG H H 8.519 0.030 1 379 38 38 ARG HA H 4.157 0.030 1 380 38 38 ARG HB2 H 2.126 0.030 2 381 38 38 ARG HD2 H 3.240 0.030 1 382 38 38 ARG HD3 H 3.240 0.030 1 383 38 38 ARG HG2 H 1.657 0.030 2 384 38 38 ARG HG3 H 1.617 0.030 2 385 38 38 ARG C C 174.374 0.300 1 386 38 38 ARG CD C 43.988 0.300 1 387 38 38 ARG CG C 28.042 0.300 1 388 39 39 CYS H H 8.219 0.030 1 389 39 39 CYS HA H 4.706 0.030 1 390 39 39 CYS HB2 H 2.618 0.030 1 391 39 39 CYS HB3 H 2.618 0.030 1 392 39 39 CYS C C 170.860 0.300 1 393 39 39 CYS CA C 57.735 0.300 1 394 39 39 CYS CB C 29.877 0.300 1 395 39 39 CYS N N 120.342 0.300 1 396 40 40 LEU H H 8.099 0.030 1 397 40 40 LEU HA H 5.037 0.030 1 398 40 40 LEU HB2 H 1.807 0.030 2 399 40 40 LEU HB3 H 1.327 0.030 2 400 40 40 LEU HD1 H 0.817 0.030 1 401 40 40 LEU HD2 H 0.607 0.030 1 402 40 40 LEU HG H 1.537 0.030 1 403 40 40 LEU C C 175.010 0.300 1 404 40 40 LEU CA C 52.938 0.300 1 405 40 40 LEU CB C 44.725 0.300 1 406 40 40 LEU CD1 C 25.063 0.300 2 407 40 40 LEU CD2 C 25.654 0.300 2 408 40 40 LEU CG C 26.572 0.300 1 409 40 40 LEU N N 127.471 0.300 1 410 41 41 PHE H H 9.643 0.030 1 411 41 41 PHE HA H 4.861 0.030 1 412 41 41 PHE HB2 H 3.137 0.030 2 413 41 41 PHE HB3 H 2.707 0.030 2 414 41 41 PHE HD1 H 7.235 0.030 1 415 41 41 PHE HD2 H 7.235 0.030 1 416 41 41 PHE HE1 H 7.367 0.030 1 417 41 41 PHE HE2 H 7.367 0.030 1 418 41 41 PHE HZ H 7.297 0.030 1 419 41 41 PHE C C 174.782 0.300 1 420 41 41 PHE CA C 57.141 0.300 1 421 41 41 PHE CB C 42.546 0.300 1 422 41 41 PHE CD1 C 132.317 0.300 1 423 41 41 PHE CD2 C 132.317 0.300 1 424 41 41 PHE CE1 C 131.161 0.300 1 425 41 41 PHE CE2 C 131.161 0.300 1 426 41 41 PHE CZ C 130.333 0.300 1 427 41 41 PHE N N 125.789 0.300 1 428 42 42 TYR H H 7.626 0.030 1 429 42 42 TYR HA H 5.687 0.030 1 430 42 42 TYR HB2 H 1.657 0.030 2 431 42 42 TYR HB3 H 1.527 0.030 2 432 42 42 TYR HD1 H 6.297 0.030 1 433 42 42 TYR HD2 H 6.297 0.030 1 434 42 42 TYR HE1 H 6.507 0.030 1 435 42 42 TYR HE2 H 6.507 0.030 1 436 42 42 TYR C C 173.569 0.300 1 437 42 42 TYR CA C 55.083 0.300 1 438 42 42 TYR CB C 39.427 0.300 1 439 42 42 TYR CD1 C 133.482 0.300 1 440 42 42 TYR CD2 C 133.482 0.300 1 441 42 42 TYR CE1 C 117.095 0.300 1 442 42 42 TYR CE2 C 117.095 0.300 1 443 42 42 TYR N N 113.629 0.300 1 444 43 43 TYR H H 9.208 0.030 1 445 43 43 TYR HA H 4.872 0.030 1 446 43 43 TYR HB2 H 3.066 0.030 2 447 43 43 TYR HB3 H 3.467 0.030 2 448 43 43 TYR HD1 H 7.017 0.030 1 449 43 43 TYR HD2 H 7.017 0.030 1 450 43 43 TYR HE1 H 6.497 0.030 1 451 43 43 TYR HE2 H 6.497 0.030 1 452 43 43 TYR C C 175.753 0.300 1 453 43 43 TYR CA C 56.789 0.300 1 454 43 43 TYR CB C 44.179 0.300 1 455 43 43 TYR CD1 C 133.765 0.300 1 456 43 43 TYR CD2 C 133.765 0.300 1 457 43 43 TYR CE1 C 118.343 0.300 1 458 43 43 TYR CE2 C 118.343 0.300 1 459 43 43 TYR N N 117.672 0.300 1 460 44 44 LYS H H 9.563 0.030 1 461 44 44 LYS HA H 4.178 0.030 1 462 44 44 LYS HB2 H 2.022 0.030 2 463 44 44 LYS HB3 H 1.916 0.030 2 464 44 44 LYS HD2 H 1.837 0.030 2 465 44 44 LYS HD3 H 1.777 0.030 2 466 44 44 LYS HE2 H 3.087 0.030 1 467 44 44 LYS HE3 H 3.087 0.030 1 468 44 44 LYS HG2 H 1.627 0.030 2 469 44 44 LYS HG3 H 1.544 0.030 2 470 44 44 LYS C C 176.242 0.300 1 471 44 44 LYS CA C 59.726 0.300 1 472 44 44 LYS CB C 33.667 0.300 1 473 44 44 LYS CD C 29.557 0.300 1 474 44 44 LYS CE C 42.152 0.300 1 475 44 44 LYS CG C 25.474 0.300 1 476 44 44 LYS N N 121.339 0.300 1 477 45 45 ASP H H 7.732 0.030 1 478 45 45 ASP HA H 4.677 0.030 1 479 45 45 ASP HB2 H 3.177 0.030 1 480 45 45 ASP HB3 H 3.177 0.030 1 481 45 45 ASP C C 173.774 0.300 1 482 45 45 ASP CA C 53.114 0.300 1 483 45 45 ASP CB C 41.436 0.300 1 484 45 45 ASP N N 110.633 0.300 1 485 46 46 GLU H H 8.711 0.030 1 486 46 46 GLU HA H 1.716 0.030 1 487 46 46 GLU HB2 H 0.664 0.030 2 488 46 46 GLU HB3 H 0.537 0.030 2 489 46 46 GLU HG2 H 1.077 0.030 2 490 46 46 GLU HG3 H 1.407 0.030 2 491 46 46 GLU C C 176.726 0.300 1 492 46 46 GLU CA C 56.719 0.300 1 493 46 46 GLU CB C 26.936 0.300 1 494 46 46 GLU CG C 35.229 0.300 1 495 46 46 GLU N N 115.154 0.300 1 496 47 47 LYS H H 8.190 0.030 1 497 47 47 LYS HA H 3.832 0.030 1 498 47 47 LYS HB2 H 1.838 0.030 2 499 47 47 LYS HB3 H 1.657 0.030 2 500 47 47 LYS HD2 H 1.548 0.030 1 501 47 47 LYS HD3 H 1.548 0.030 1 502 47 47 LYS HE2 H 2.867 0.030 1 503 47 47 LYS HE3 H 2.867 0.030 1 504 47 47 LYS HG2 H 1.299 0.030 2 505 47 47 LYS HG3 H 1.208 0.030 2 506 47 47 LYS C C 176.943 0.300 1 507 47 47 LYS CA C 57.247 0.300 1 508 47 47 LYS CB C 31.218 0.300 1 509 47 47 LYS CD C 28.736 0.300 1 510 47 47 LYS CE C 41.902 0.300 1 511 47 47 LYS CG C 25.380 0.300 1 512 47 47 LYS N N 120.632 0.300 1 513 48 48 GLU H H 7.657 0.030 1 514 48 48 GLU HA H 2.928 0.030 1 515 48 48 GLU HB2 H 1.609 0.030 2 516 48 48 GLU HG2 H 1.606 0.030 2 517 48 48 GLU HG3 H 0.926 0.030 2 518 48 48 GLU C C 175.995 0.300 1 519 48 48 GLU CA C 56.825 0.300 1 520 48 48 GLU CB C 26.022 0.300 1 521 48 48 GLU CG C 35.915 0.300 1 522 48 48 GLU N N 113.539 0.300 1 523 49 49 GLU H H 8.699 0.030 1 524 49 49 GLU HA H 4.027 0.030 1 525 49 49 GLU HB2 H 2.015 0.030 2 526 49 49 GLU HB3 H 1.938 0.030 2 527 49 49 GLU HG2 H 2.195 0.030 2 528 49 49 GLU HG3 H 2.135 0.030 2 529 49 49 GLU C C 177.533 0.300 1 530 49 49 GLU CA C 59.088 0.300 1 531 49 49 GLU CB C 30.667 0.300 1 532 49 49 GLU CG C 37.221 0.300 1 533 49 49 GLU N N 117.810 0.300 1 534 50 50 SER H H 7.550 0.030 1 535 50 50 SER HA H 4.681 0.030 1 536 50 50 SER HB2 H 3.773 0.030 2 537 50 50 SER HB3 H 3.730 0.030 2 538 50 50 SER C C 175.854 0.300 1 539 50 50 SER CA C 57.141 0.300 1 540 50 50 SER CB C 64.281 0.300 1 541 50 50 SER N N 110.831 0.300 1 542 51 51 ILE H H 8.727 0.030 1 543 51 51 ILE HA H 3.277 0.030 1 544 51 51 ILE HB H 1.576 0.030 1 545 51 51 ILE HD1 H 0.756 0.030 1 546 51 51 ILE HG12 H 1.477 0.030 2 547 51 51 ILE HG13 H 0.697 0.030 2 548 51 51 ILE HG2 H 0.666 0.030 1 549 51 51 ILE C C 176.484 0.300 1 550 51 51 ILE CA C 62.663 0.300 1 551 51 51 ILE CB C 39.032 0.300 1 552 51 51 ILE CD1 C 14.109 0.300 1 553 51 51 ILE CG1 C 29.392 0.300 1 554 51 51 ILE CG2 C 17.897 0.300 1 555 51 51 ILE N N 127.378 0.300 1 556 52 52 LEU H H 8.808 0.030 1 557 52 52 LEU HA H 4.258 0.030 1 558 52 52 LEU HB2 H 1.288 0.030 1 559 52 52 LEU HB3 H 1.288 0.030 1 560 52 52 LEU HD1 H 0.867 0.030 1 561 52 52 LEU HD2 H 0.845 0.030 1 562 52 52 LEU HG H 1.737 0.030 1 563 52 52 LEU C C 176.997 0.300 1 564 52 52 LEU CA C 54.996 0.300 1 565 52 52 LEU CB C 42.494 0.300 1 566 52 52 LEU CD1 C 25.590 0.300 2 567 52 52 LEU CD2 C 22.204 0.300 2 568 52 52 LEU CG C 27.205 0.300 1 569 52 52 LEU N N 129.186 0.300 1 570 53 53 GLY H H 6.487 0.030 1 571 53 53 GLY HA2 H 3.747 0.030 2 572 53 53 GLY HA3 H 3.367 0.030 2 573 53 53 GLY C C 169.245 0.300 1 574 53 53 GLY CA C 44.813 0.300 1 575 53 53 GLY N N 105.873 0.300 1 576 54 54 SER H H 7.935 0.030 1 577 54 54 SER HA H 5.076 0.030 1 578 54 54 SER HB2 H 3.435 0.030 2 579 54 54 SER HB3 H 3.048 0.030 2 580 54 54 SER C C 173.620 0.300 1 581 54 54 SER CA C 56.212 0.300 1 582 54 54 SER CB C 66.183 0.300 1 583 54 54 SER N N 110.800 0.300 1 584 55 55 ILE H H 9.046 0.030 1 585 55 55 ILE HA H 4.309 0.030 1 586 55 55 ILE HB H 1.597 0.030 1 587 55 55 ILE HD1 H 0.247 0.030 1 588 55 55 ILE HG12 H 1.277 0.030 2 589 55 55 ILE HG13 H 0.677 0.030 2 590 55 55 ILE HG2 H 0.186 0.030 1 591 55 55 ILE C C 172.826 0.300 1 592 55 55 ILE CA C 58.618 0.300 1 593 55 55 ILE CB C 41.970 0.300 1 594 55 55 ILE CD1 C 13.643 0.300 1 595 55 55 ILE CG1 C 26.612 0.300 1 596 55 55 ILE CG2 C 17.282 0.300 1 597 55 55 ILE N N 122.971 0.300 1 598 56 56 PRO HA H 4.518 0.030 1 599 56 56 PRO HB2 H 2.317 0.030 2 600 56 56 PRO HB3 H 2.037 0.030 2 601 56 56 PRO HD2 H 3.797 0.030 2 602 56 56 PRO HD3 H 3.556 0.030 2 603 56 56 PRO HG2 H 1.936 0.030 2 604 56 56 PRO HG3 H 2.237 0.030 2 605 56 56 PRO C C 178.046 0.300 1 606 56 56 PRO CA C 62.945 0.300 1 607 56 56 PRO CB C 31.612 0.300 1 608 56 56 PRO CD C 50.836 0.300 1 609 56 56 PRO CG C 27.622 0.300 1 610 57 57 LEU H H 7.977 0.030 1 611 57 57 LEU HA H 3.857 0.030 1 612 57 57 LEU HB2 H 1.375 0.030 1 613 57 57 LEU HB3 H 1.375 0.030 1 614 57 57 LEU HD1 H 0.709 0.030 1 615 57 57 LEU HD2 H 0.286 0.030 1 616 57 57 LEU HG H 1.577 0.030 1 617 57 57 LEU C C 176.956 0.300 1 618 57 57 LEU CA C 55.734 0.300 1 619 57 57 LEU CB C 43.327 0.300 1 620 57 57 LEU CD1 C 27.091 0.300 2 621 57 57 LEU CD2 C 22.132 0.300 2 622 57 57 LEU CG C 26.612 0.300 1 623 57 57 LEU N N 124.393 0.300 1 624 58 58 LEU H H 7.911 0.030 1 625 58 58 LEU HA H 4.157 0.030 1 626 58 58 LEU HB2 H 1.689 0.030 1 627 58 58 LEU HB3 H 1.689 0.030 1 628 58 58 LEU HD1 H 0.937 0.030 1 629 58 58 LEU HD2 H 0.945 0.030 1 630 58 58 LEU HG H 1.706 0.030 1 631 58 58 LEU C C 178.774 0.300 1 632 58 58 LEU CA C 58.039 0.300 1 633 58 58 LEU CB C 41.929 0.300 1 634 58 58 LEU CD1 C 25.446 0.300 2 635 58 58 LEU CD2 C 24.460 0.300 2 636 58 58 LEU CG C 27.022 0.300 1 637 58 58 LEU N N 120.541 0.300 1 638 59 59 SER H H 9.055 0.030 1 639 59 59 SER HA H 4.138 0.030 1 640 59 59 SER HB2 H 3.795 0.030 2 641 59 59 SER HB3 H 4.017 0.030 2 642 59 59 SER C C 174.269 0.300 1 643 59 59 SER CA C 61.168 0.300 1 644 59 59 SER CB C 62.862 0.300 1 645 59 59 SER N N 115.778 0.300 1 646 60 60 PHE H H 8.667 0.030 1 647 60 60 PHE HA H 4.545 0.030 1 648 60 60 PHE HB2 H 3.416 0.030 2 649 60 60 PHE HB3 H 2.475 0.030 2 650 60 60 PHE HD1 H 6.982 0.030 1 651 60 60 PHE HD2 H 6.982 0.030 1 652 60 60 PHE HE1 H 7.246 0.030 1 653 60 60 PHE HE2 H 7.246 0.030 1 654 60 60 PHE HZ H 7.318 0.030 1 655 60 60 PHE C C 175.274 0.300 1 656 60 60 PHE CA C 58.917 0.300 1 657 60 60 PHE CB C 39.710 0.300 1 658 60 60 PHE CD1 C 130.853 0.300 1 659 60 60 PHE CD2 C 130.853 0.300 1 660 60 60 PHE CE1 C 131.968 0.300 1 661 60 60 PHE CE2 C 131.968 0.300 1 662 60 60 PHE CZ C 129.775 0.300 1 663 60 60 PHE N N 122.199 0.300 1 664 61 61 ARG H H 9.038 0.030 1 665 61 61 ARG HA H 4.720 0.030 1 666 61 61 ARG HB2 H 1.854 0.030 2 667 61 61 ARG HB3 H 1.920 0.030 2 668 61 61 ARG HD2 H 3.240 0.030 1 669 61 61 ARG HD3 H 3.240 0.030 1 670 61 61 ARG HG2 H 1.737 0.030 2 671 61 61 ARG HG3 H 1.576 0.030 2 672 61 61 ARG C C 176.173 0.300 1 673 61 61 ARG CA C 55.189 0.300 1 674 61 61 ARG CB C 31.777 0.300 1 675 61 61 ARG CD C 43.368 0.300 1 676 61 61 ARG CG C 27.502 0.300 1 677 61 61 ARG N N 120.083 0.300 1 678 62 62 VAL H H 9.034 0.030 1 679 62 62 VAL HA H 5.518 0.030 1 680 62 62 VAL HB H 1.993 0.030 1 681 62 62 VAL HG1 H 1.147 0.030 1 682 62 62 VAL HG2 H 0.877 0.030 1 683 62 62 VAL C C 175.144 0.300 1 684 62 62 VAL CA C 60.958 0.300 1 685 62 62 VAL CB C 33.216 0.300 1 686 62 62 VAL CG1 C 22.411 0.300 2 687 62 62 VAL CG2 C 20.235 0.300 2 688 62 62 VAL N N 127.913 0.300 1 689 63 63 ALA H H 8.888 0.030 1 690 63 63 ALA HA H 4.708 0.030 1 691 63 63 ALA HB H 1.457 0.030 1 692 63 63 ALA C C 175.576 0.300 1 693 63 63 ALA CA C 51.479 0.300 1 694 63 63 ALA CB C 23.414 0.300 1 695 63 63 ALA N N 128.091 0.300 1 696 64 64 ALA H H 8.906 0.030 1 697 64 64 ALA HA H 4.464 0.030 1 698 64 64 ALA HB H 1.526 0.030 1 699 64 64 ALA C C 177.669 0.300 1 700 64 64 ALA CA C 52.920 0.300 1 701 64 64 ALA CB C 18.894 0.300 1 702 64 64 ALA N N 122.414 0.300 1 703 65 65 VAL H H 7.583 0.030 1 704 65 65 VAL HA H 4.307 0.030 1 705 65 65 VAL HB H 2.327 0.030 1 706 65 65 VAL HG1 H 1.087 0.030 1 707 65 65 VAL HG2 H 1.017 0.030 1 708 65 65 VAL C C 175.310 0.300 1 709 65 65 VAL CA C 62.417 0.300 1 710 65 65 VAL CB C 32.798 0.300 1 711 65 65 VAL CG1 C 23.063 0.300 2 712 65 65 VAL CG2 C 20.632 0.300 2 713 65 65 VAL N N 115.347 0.300 1 714 66 66 GLN H H 9.300 0.030 1 715 66 66 GLN HA H 4.817 0.030 1 716 66 66 GLN HB2 H 1.816 0.030 2 717 66 66 GLN HB3 H 2.282 0.030 2 718 66 66 GLN HE21 H 7.618 0.030 2 719 66 66 GLN HE22 H 6.968 0.030 2 720 66 66 GLN HG2 H 2.445 0.030 1 721 66 66 GLN HG3 H 2.445 0.030 1 722 66 66 GLN C C 176.023 0.300 1 723 66 66 GLN CA C 53.378 0.300 1 724 66 66 GLN CB C 29.816 0.300 1 725 66 66 GLN CG C 33.891 0.300 1 726 66 66 GLN N N 124.023 0.300 1 727 66 66 GLN NE2 N 113.424 0.300 1 728 67 67 PRO HA H 4.344 0.030 1 729 67 67 PRO HB2 H 2.388 0.030 2 730 67 67 PRO HB3 H 1.989 0.030 2 731 67 67 PRO HD2 H 3.916 0.030 2 732 67 67 PRO HD3 H 3.865 0.030 2 733 67 67 PRO HG2 H 2.223 0.030 2 734 67 67 PRO HG3 H 2.037 0.030 2 735 67 67 PRO C C 178.251 0.300 1 736 67 67 PRO CA C 65.828 0.300 1 737 67 67 PRO CB C 31.695 0.300 1 738 67 67 PRO CD C 50.610 0.300 1 739 67 67 PRO CG C 27.997 0.300 1 740 68 68 SER H H 8.050 0.030 1 741 68 68 SER HA H 4.227 0.030 1 742 68 68 SER HB2 H 3.828 0.030 2 743 68 68 SER HB3 H 4.017 0.030 2 744 68 68 SER C C 175.065 0.300 1 745 68 68 SER CA C 59.551 0.300 1 746 68 68 SER CB C 62.962 0.300 1 747 68 68 SER N N 110.628 0.300 1 748 69 69 ASP H H 8.169 0.030 1 749 69 69 ASP HA H 4.547 0.030 1 750 69 69 ASP HB2 H 2.726 0.030 2 751 69 69 ASP HB3 H 2.868 0.030 2 752 69 69 ASP C C 175.684 0.300 1 753 69 69 ASP CA C 56.332 0.300 1 754 69 69 ASP CB C 41.362 0.300 1 755 69 69 ASP N N 120.054 0.300 1 756 70 70 ASN H H 7.978 0.030 1 757 70 70 ASN HA H 4.350 0.030 1 758 70 70 ASN HB2 H 2.938 0.030 2 759 70 70 ASN HB3 H 2.629 0.030 2 760 70 70 ASN HD21 H 7.463 0.030 2 761 70 70 ASN HD22 H 6.725 0.030 2 762 70 70 ASN C C 173.987 0.300 1 763 70 70 ASN CA C 54.184 0.300 1 764 70 70 ASN CB C 37.408 0.300 1 765 70 70 ASN N N 114.436 0.300 1 766 70 70 ASN ND2 N 112.633 0.300 1 767 71 71 ILE H H 8.408 0.030 1 768 71 71 ILE HA H 4.267 0.030 1 769 71 71 ILE HB H 1.760 0.030 1 770 71 71 ILE HD1 H 0.247 0.030 1 771 71 71 ILE HG12 H 1.017 0.030 1 772 71 71 ILE HG13 H 1.017 0.030 1 773 71 71 ILE HG2 H 0.988 0.030 1 774 71 71 ILE C C 175.999 0.300 1 775 71 71 ILE CA C 59.287 0.300 1 776 71 71 ILE CB C 38.929 0.300 1 777 71 71 ILE CD1 C 11.195 0.300 1 778 71 71 ILE CG1 C 26.676 0.300 1 779 71 71 ILE CG2 C 18.189 0.300 1 780 71 71 ILE N N 119.662 0.300 1 781 72 72 SER HA H 4.368 0.030 1 782 72 72 SER HB2 H 3.756 0.030 2 783 72 72 SER HB3 H 3.845 0.030 2 784 72 72 SER C C 174.158 0.300 1 785 72 72 SER CA C 58.407 0.300 1 786 72 72 SER CB C 63.721 0.300 1 787 73 73 ARG H H 6.969 0.030 1 788 73 73 ARG HA H 3.852 0.030 1 789 73 73 ARG HB2 H 1.027 0.030 1 790 73 73 ARG HB3 H 1.027 0.030 1 791 73 73 ARG HD2 H 0.871 0.030 2 792 73 73 ARG HD3 H 1.217 0.030 2 793 73 73 ARG HE H 5.797 0.030 1 794 73 73 ARG HG2 H 0.828 0.030 2 795 73 73 ARG HG3 H 0.708 0.030 2 796 73 73 ARG C C 176.138 0.300 1 797 73 73 ARG CA C 56.280 0.300 1 798 73 73 ARG CB C 30.338 0.300 1 799 73 73 ARG CD C 41.230 0.300 1 800 73 73 ARG CG C 27.351 0.300 1 801 73 73 ARG N N 123.787 0.300 1 802 73 73 ARG NE N 82.786 0.300 1 803 74 74 LYS H H 8.274 0.030 1 804 74 74 LYS HA H 3.865 0.030 1 805 74 74 LYS HB2 H 1.047 0.030 2 806 74 74 LYS HB3 H 0.507 0.030 2 807 74 74 LYS HD2 H 1.438 0.030 1 808 74 74 LYS HD3 H 1.438 0.030 1 809 74 74 LYS HE2 H 2.865 0.030 1 810 74 74 LYS HE3 H 2.865 0.030 1 811 74 74 LYS HG2 H 1.094 0.030 2 812 74 74 LYS HG3 H 1.207 0.030 2 813 74 74 LYS C C 175.923 0.300 1 814 74 74 LYS CA C 56.667 0.300 1 815 74 74 LYS CB C 32.458 0.300 1 816 74 74 LYS CD C 28.960 0.300 1 817 74 74 LYS CE C 41.970 0.300 1 818 74 74 LYS CG C 25.118 0.300 1 819 74 74 LYS N N 126.485 0.300 1 820 75 75 HIS H H 8.551 0.030 1 821 75 75 HIS HA H 4.356 0.030 1 822 75 75 HIS HB2 H 3.785 0.030 2 823 75 75 HIS HB3 H 2.658 0.030 2 824 75 75 HIS HD2 H 6.677 0.030 1 825 75 75 HIS HE1 H 7.780 0.030 1 826 75 75 HIS C C 176.233 0.300 1 827 75 75 HIS CA C 55.013 0.300 1 828 75 75 HIS CB C 27.190 0.300 1 829 75 75 HIS CD2 C 118.577 0.300 1 830 75 75 HIS CE1 C 137.959 0.300 1 831 75 75 HIS N N 115.837 0.300 1 832 76 76 THR H H 8.207 0.030 1 833 76 76 THR HA H 5.527 0.030 1 834 76 76 THR HB H 3.988 0.030 1 835 76 76 THR HG2 H 1.347 0.030 1 836 76 76 THR C C 174.969 0.300 1 837 76 76 THR CA C 62.069 0.300 1 838 76 76 THR CB C 69.518 0.300 1 839 76 76 THR CG2 C 23.262 0.300 1 840 76 76 THR N N 114.351 0.300 1 841 77 77 PHE H H 9.744 0.030 1 842 77 77 PHE HA H 5.277 0.030 1 843 77 77 PHE HB2 H 3.077 0.030 1 844 77 77 PHE HB3 H 3.077 0.030 1 845 77 77 PHE HD1 H 7.064 0.030 1 846 77 77 PHE HD2 H 7.064 0.030 1 847 77 77 PHE HE1 H 6.970 0.030 1 848 77 77 PHE HE2 H 6.970 0.030 1 849 77 77 PHE HZ H 6.488 0.030 1 850 77 77 PHE C C 170.774 0.300 1 851 77 77 PHE CA C 55.998 0.300 1 852 77 77 PHE CB C 41.724 0.300 1 853 77 77 PHE CD1 C 132.966 0.300 1 854 77 77 PHE CD2 C 132.966 0.300 1 855 77 77 PHE CE1 C 130.393 0.300 1 856 77 77 PHE CE2 C 130.393 0.300 1 857 77 77 PHE CZ C 130.409 0.300 1 858 77 77 PHE N N 123.630 0.300 1 859 78 78 LYS H H 9.537 0.030 1 860 78 78 LYS HA H 5.548 0.030 1 861 78 78 LYS HB2 H 1.427 0.030 2 862 78 78 LYS HB3 H 1.178 0.030 2 863 78 78 LYS HD2 H 1.560 0.030 2 864 78 78 LYS HD3 H 1.424 0.030 2 865 78 78 LYS HE2 H 2.957 0.030 2 866 78 78 LYS HE3 H 2.787 0.030 2 867 78 78 LYS HG2 H 1.346 0.030 2 868 78 78 LYS HG3 H 1.087 0.030 2 869 78 78 LYS C C 173.605 0.300 1 870 78 78 LYS CA C 53.237 0.300 1 871 78 78 LYS CB C 37.487 0.300 1 872 78 78 LYS CD C 30.631 0.300 1 873 78 78 LYS CE C 42.242 0.300 1 874 78 78 LYS CG C 23.371 0.300 1 875 78 78 LYS N N 117.538 0.300 1 876 79 79 ALA H H 8.699 0.030 1 877 79 79 ALA HA H 5.387 0.030 1 878 79 79 ALA HB H 1.368 0.030 1 879 79 79 ALA C C 175.106 0.300 1 880 79 79 ALA CA C 50.360 0.300 1 881 79 79 ALA CB C 21.026 0.300 1 882 79 79 ALA N N 122.563 0.300 1 883 80 80 GLU H H 9.436 0.030 1 884 80 80 GLU HA H 4.938 0.030 1 885 80 80 GLU HB2 H 1.823 0.030 2 886 80 80 GLU HB3 H 2.047 0.030 2 887 80 80 GLU HG2 H 2.148 0.030 2 888 80 80 GLU HG3 H 1.986 0.030 2 889 80 80 GLU C C 174.255 0.300 1 890 80 80 GLU CA C 54.820 0.300 1 891 80 80 GLU CB C 34.625 0.300 1 892 80 80 GLU CG C 35.990 0.300 1 893 80 80 GLU N N 123.980 0.300 1 894 81 81 HIS H H 8.787 0.030 1 895 81 81 HIS HA H 4.466 0.030 1 896 81 81 HIS HB2 H 1.268 0.030 2 897 81 81 HIS HB3 H 2.417 0.030 2 898 81 81 HIS HD2 H 6.684 0.030 1 899 81 81 HIS HE1 H 7.875 0.030 1 900 81 81 HIS CA C 53.897 0.300 1 901 81 81 HIS CB C 30.416 0.300 1 902 81 81 HIS CD2 C 118.502 0.300 1 903 81 81 HIS CE1 C 138.039 0.300 1 904 81 81 HIS N N 127.380 0.300 1 905 82 82 ALA H H 8.728 0.030 1 906 82 82 ALA HA H 3.990 0.030 1 907 82 82 ALA HB H 1.290 0.030 1 908 82 82 ALA CA C 54.546 0.300 1 909 82 82 ALA CB C 18.011 0.300 1 910 82 82 ALA N N 129.630 0.300 1 911 83 83 GLY H H 9.036 0.030 1 912 83 83 GLY HA2 H 4.038 0.030 2 913 83 83 GLY HA3 H 3.687 0.030 2 914 83 83 GLY C C 173.674 0.300 1 915 83 83 GLY CA C 45.393 0.300 1 916 83 83 GLY N N 111.096 0.300 1 917 84 84 VAL H H 8.106 0.030 1 918 84 84 VAL HA H 4.089 0.030 1 919 84 84 VAL HB H 1.397 0.030 1 920 84 84 VAL HG1 H 0.407 0.030 1 921 84 84 VAL HG2 H 0.848 0.030 1 922 84 84 VAL C C 175.296 0.300 1 923 84 84 VAL CA C 63.033 0.300 1 924 84 84 VAL CB C 34.468 0.300 1 925 84 84 VAL CG1 C 20.142 0.300 2 926 84 84 VAL CG2 C 20.996 0.300 2 927 84 84 VAL N N 120.072 0.300 1 928 85 85 ARG H H 8.158 0.030 1 929 85 85 ARG HA H 4.326 0.030 1 930 85 85 ARG HB2 H 1.736 0.030 2 931 85 85 ARG HB3 H 1.700 0.030 2 932 85 85 ARG HD2 H 3.111 0.030 1 933 85 85 ARG HD3 H 3.111 0.030 1 934 85 85 ARG HG2 H 1.397 0.030 2 935 85 85 ARG HG3 H 1.310 0.030 2 936 85 85 ARG C C 173.868 0.300 1 937 85 85 ARG CA C 56.297 0.300 1 938 85 85 ARG CB C 31.755 0.300 1 939 85 85 ARG CD C 43.182 0.300 1 940 85 85 ARG CG C 26.516 0.300 1 941 85 85 ARG N N 120.819 0.300 1 942 86 86 THR H H 8.218 0.030 1 943 86 86 THR HA H 4.517 0.030 1 944 86 86 THR HB H 3.616 0.030 1 945 86 86 THR HG2 H 0.436 0.030 1 946 86 86 THR C C 172.827 0.300 1 947 86 86 THR CA C 62.470 0.300 1 948 86 86 THR CB C 70.449 0.300 1 949 86 86 THR CG2 C 23.693 0.300 1 950 86 86 THR N N 119.798 0.300 1 951 87 87 TYR H H 8.519 0.030 1 952 87 87 TYR HA H 4.377 0.030 1 953 87 87 TYR HB2 H 2.447 0.030 2 954 87 87 TYR HB3 H 2.197 0.030 2 955 87 87 TYR HD1 H 6.956 0.030 1 956 87 87 TYR HD2 H 6.956 0.030 1 957 87 87 TYR HE1 H 6.787 0.030 1 958 87 87 TYR HE2 H 6.787 0.030 1 959 87 87 TYR C C 173.516 0.300 1 960 87 87 TYR CA C 56.702 0.300 1 961 87 87 TYR CB C 42.011 0.300 1 962 87 87 TYR CD1 C 132.783 0.300 1 963 87 87 TYR CD2 C 132.783 0.300 1 964 87 87 TYR CE1 C 118.327 0.300 1 965 87 87 TYR CE2 C 118.327 0.300 1 966 87 87 TYR N N 125.197 0.300 1 967 88 88 PHE H H 8.242 0.030 1 968 88 88 PHE HA H 4.876 0.030 1 969 88 88 PHE HB2 H 2.727 0.030 2 970 88 88 PHE HB3 H 2.378 0.030 2 971 88 88 PHE HD1 H 6.906 0.030 1 972 88 88 PHE HD2 H 6.906 0.030 1 973 88 88 PHE HE1 H 7.121 0.030 1 974 88 88 PHE HE2 H 7.121 0.030 1 975 88 88 PHE HZ H 7.266 0.030 1 976 88 88 PHE C C 173.734 0.300 1 977 88 88 PHE CA C 57.265 0.300 1 978 88 88 PHE CB C 42.710 0.300 1 979 88 88 PHE CD1 C 131.785 0.300 1 980 88 88 PHE CD2 C 131.785 0.300 1 981 88 88 PHE CE1 C 131.069 0.300 1 982 88 88 PHE CE2 C 131.069 0.300 1 983 88 88 PHE CZ C 129.654 0.300 1 984 88 88 PHE N N 118.353 0.300 1 985 89 89 PHE H H 8.607 0.030 1 986 89 89 PHE HA H 5.627 0.030 1 987 89 89 PHE HB2 H 2.147 0.030 2 988 89 89 PHE HB3 H 0.767 0.030 2 989 89 89 PHE HD1 H 6.235 0.030 1 990 89 89 PHE HD2 H 6.235 0.030 1 991 89 89 PHE HE1 H 6.548 0.030 1 992 89 89 PHE HE2 H 6.548 0.030 1 993 89 89 PHE HZ H 6.294 0.030 1 994 89 89 PHE C C 174.425 0.300 1 995 89 89 PHE CA C 54.468 0.300 1 996 89 89 PHE CB C 43.368 0.300 1 997 89 89 PHE CD1 C 132.051 0.300 1 998 89 89 PHE CD2 C 132.051 0.300 1 999 89 89 PHE CE1 C 129.388 0.300 1 1000 89 89 PHE CE2 C 129.388 0.300 1 1001 89 89 PHE CZ C 127.375 0.300 1 1002 89 89 PHE N N 118.569 0.300 1 1003 90 90 SER H H 9.326 0.030 1 1004 90 90 SER HA H 5.279 0.030 1 1005 90 90 SER HB2 H 3.416 0.030 2 1006 90 90 SER HB3 H 3.067 0.030 2 1007 90 90 SER C C 173.506 0.300 1 1008 90 90 SER CA C 57.029 0.300 1 1009 90 90 SER CB C 65.200 0.300 1 1010 90 90 SER N N 113.760 0.300 1 1011 91 91 ALA H H 8.533 0.030 1 1012 91 91 ALA HA H 5.227 0.030 1 1013 91 91 ALA HB H 1.785 0.030 1 1014 91 91 ALA C C 176.540 0.300 1 1015 91 91 ALA CA C 50.106 0.300 1 1016 91 91 ALA CB C 22.289 0.300 1 1017 91 91 ALA N N 128.904 0.300 1 1018 92 92 GLU H H 9.214 0.030 1 1019 92 92 GLU HA H 4.477 0.030 1 1020 92 92 GLU HB2 H 2.308 0.030 2 1021 92 92 GLU HB3 H 2.209 0.030 2 1022 92 92 GLU HG2 H 2.557 0.030 2 1023 92 92 GLU HG3 H 2.357 0.030 2 1024 92 92 GLU C C 175.729 0.300 1 1025 92 92 GLU CA C 57.510 0.300 1 1026 92 92 GLU CB C 30.991 0.300 1 1027 92 92 GLU CG C 37.516 0.300 1 1028 92 92 GLU N N 114.727 0.300 1 1029 93 93 SER H H 7.435 0.030 1 1030 93 93 SER HA H 4.277 0.030 1 1031 93 93 SER HB2 H 3.857 0.030 2 1032 93 93 SER HB3 H 4.217 0.030 2 1033 93 93 SER C C 171.712 0.300 1 1034 93 93 SER CA C 55.242 0.300 1 1035 93 93 SER CB C 64.084 0.300 1 1036 93 93 SER N N 110.644 0.300 1 1037 94 94 PRO HA H 4.318 0.030 1 1038 94 94 PRO HB2 H 2.497 0.030 2 1039 94 94 PRO HB3 H 1.986 0.030 2 1040 94 94 PRO HD2 H 3.322 0.030 2 1041 94 94 PRO HD3 H 3.877 0.030 2 1042 94 94 PRO HG2 H 2.239 0.030 2 1043 94 94 PRO HG3 H 2.117 0.030 2 1044 94 94 PRO C C 178.994 0.300 1 1045 94 94 PRO CA C 64.696 0.300 1 1046 94 94 PRO CB C 31.686 0.300 1 1047 94 94 PRO CD C 50.541 0.300 1 1048 94 94 PRO CG C 27.637 0.300 1 1049 95 95 GLU H H 8.943 0.030 1 1050 95 95 GLU HA H 4.026 0.030 1 1051 95 95 GLU HB2 H 2.067 0.030 2 1052 95 95 GLU HB3 H 1.914 0.030 2 1053 95 95 GLU HG2 H 2.487 0.030 2 1054 95 95 GLU HG3 H 2.257 0.030 2 1055 95 95 GLU C C 180.239 0.300 1 1056 95 95 GLU CA C 60.641 0.300 1 1057 95 95 GLU CB C 28.324 0.300 1 1058 95 95 GLU CG C 37.038 0.300 1 1059 95 95 GLU N N 118.119 0.300 1 1060 96 96 GLU H H 7.806 0.030 1 1061 96 96 GLU HA H 4.378 0.030 1 1062 96 96 GLU HB2 H 2.385 0.030 2 1063 96 96 GLU HB3 H 2.115 0.030 2 1064 96 96 GLU HG2 H 2.511 0.030 2 1065 96 96 GLU HG3 H 2.307 0.030 2 1066 96 96 GLU C C 177.981 0.300 1 1067 96 96 GLU CA C 58.513 0.300 1 1068 96 96 GLU CB C 31.063 0.300 1 1069 96 96 GLU CG C 37.404 0.300 1 1070 96 96 GLU N N 120.063 0.300 1 1071 97 97 GLN H H 7.981 0.030 1 1072 97 97 GLN HA H 3.698 0.030 1 1073 97 97 GLN HB2 H 2.803 0.030 2 1074 97 97 GLN HB3 H 2.068 0.030 2 1075 97 97 GLN HE21 H 7.381 0.030 2 1076 97 97 GLN HE22 H 6.799 0.030 2 1077 97 97 GLN HG2 H 2.206 0.030 2 1078 97 97 GLN HG3 H 2.013 0.030 2 1079 97 97 GLN C C 176.607 0.300 1 1080 97 97 GLN CA C 59.815 0.300 1 1081 97 97 GLN CB C 28.571 0.300 1 1082 97 97 GLN CG C 33.010 0.300 1 1083 97 97 GLN N N 121.474 0.300 1 1084 97 97 GLN NE2 N 110.578 0.300 1 1085 98 98 GLU H H 8.157 0.030 1 1086 98 98 GLU HA H 3.856 0.030 1 1087 98 98 GLU HB2 H 2.043 0.030 2 1088 98 98 GLU HB3 H 1.973 0.030 2 1089 98 98 GLU HG2 H 2.238 0.030 2 1090 98 98 GLU HG3 H 2.327 0.030 2 1091 98 98 GLU C C 178.574 0.300 1 1092 98 98 GLU CA C 59.227 0.300 1 1093 98 98 GLU CB C 29.265 0.300 1 1094 98 98 GLU CG C 35.830 0.300 1 1095 98 98 GLU N N 117.219 0.300 1 1096 99 99 ALA H H 7.947 0.030 1 1097 99 99 ALA HA H 4.026 0.030 1 1098 99 99 ALA HB H 1.288 0.030 1 1099 99 99 ALA C C 181.711 0.300 1 1100 99 99 ALA CA C 54.908 0.300 1 1101 99 99 ALA CB C 18.285 0.300 1 1102 99 99 ALA N N 120.908 0.300 1 1103 100 100 TRP H H 8.407 0.030 1 1104 100 100 TRP HA H 4.047 0.030 1 1105 100 100 TRP HB2 H 2.797 0.030 1 1106 100 100 TRP HB3 H 2.797 0.030 1 1107 100 100 TRP HD1 H 7.187 0.030 1 1108 100 100 TRP HE1 H 10.948 0.030 1 1109 100 100 TRP HE3 H 7.137 0.030 1 1110 100 100 TRP HH2 H 6.566 0.030 1 1111 100 100 TRP HZ2 H 6.714 0.030 1 1112 100 100 TRP HZ3 H 6.528 0.030 1 1113 100 100 TRP C C 178.377 0.300 1 1114 100 100 TRP CA C 61.414 0.300 1 1115 100 100 TRP CB C 30.649 0.300 1 1116 100 100 TRP CD1 C 128.022 0.300 1 1117 100 100 TRP CE3 C 119.448 0.300 1 1118 100 100 TRP CH2 C 123.971 0.300 1 1119 100 100 TRP CZ2 C 114.161 0.300 1 1120 100 100 TRP CZ3 C 120.530 0.300 1 1121 100 100 TRP N N 119.694 0.300 1 1122 100 100 TRP NE1 N 130.796 0.300 1 1123 101 101 ILE H H 8.028 0.030 1 1124 101 101 ILE HA H 3.249 0.030 1 1125 101 101 ILE HB H 1.656 0.030 1 1126 101 101 ILE HD1 H 0.732 0.030 1 1127 101 101 ILE HG12 H 1.087 0.030 2 1128 101 101 ILE HG13 H 0.277 0.030 2 1129 101 101 ILE HG2 H 0.777 0.030 1 1130 101 101 ILE C C 179.462 0.300 1 1131 101 101 ILE CA C 65.978 0.300 1 1132 101 101 ILE CB C 37.983 0.300 1 1133 101 101 ILE CD1 C 15.417 0.300 1 1134 101 101 ILE CG1 C 30.146 0.300 1 1135 101 101 ILE CG2 C 17.187 0.300 1 1136 101 101 ILE N N 120.744 0.300 1 1137 102 102 GLN H H 8.053 0.030 1 1138 102 102 GLN HA H 3.967 0.030 1 1139 102 102 GLN HB2 H 2.027 0.030 1 1140 102 102 GLN HB3 H 2.027 0.030 1 1141 102 102 GLN HE21 H 7.657 0.030 2 1142 102 102 GLN HE22 H 6.746 0.030 2 1143 102 102 GLN HG2 H 2.342 0.030 2 1144 102 102 GLN HG3 H 2.426 0.030 2 1145 102 102 GLN C C 178.351 0.300 1 1146 102 102 GLN CA C 58.848 0.300 1 1147 102 102 GLN CB C 27.980 0.300 1 1148 102 102 GLN CG C 33.339 0.300 1 1149 102 102 GLN N N 118.839 0.300 1 1150 102 102 GLN NE2 N 112.319 0.300 1 1151 103 103 ALA H H 7.901 0.030 1 1152 103 103 ALA HA H 4.038 0.030 1 1153 103 103 ALA HB H 1.123 0.030 1 1154 103 103 ALA C C 180.790 0.300 1 1155 103 103 ALA CA C 55.083 0.300 1 1156 103 103 ALA CB C 18.340 0.300 1 1157 103 103 ALA N N 120.959 0.300 1 1158 104 104 MET H H 9.151 0.030 1 1159 104 104 MET HA H 3.857 0.030 1 1160 104 104 MET HB2 H 2.347 0.030 2 1161 104 104 MET HB3 H 3.008 0.030 2 1162 104 104 MET HE H 1.124 0.030 1 1163 104 104 MET HG2 H 2.215 0.030 2 1164 104 104 MET HG3 H 1.846 0.030 2 1165 104 104 MET C C 177.644 0.300 1 1166 104 104 MET CA C 60.060 0.300 1 1167 104 104 MET CB C 33.871 0.300 1 1168 104 104 MET CE C 18.340 0.300 1 1169 104 104 MET CG C 33.699 0.300 1 1170 104 104 MET N N 116.104 0.300 1 1171 105 105 GLY H H 8.315 0.030 1 1172 105 105 GLY HA2 H 4.097 0.030 2 1173 105 105 GLY HA3 H 3.797 0.030 2 1174 105 105 GLY C C 176.696 0.300 1 1175 105 105 GLY CA C 46.870 0.300 1 1176 105 105 GLY N N 106.087 0.300 1 1177 106 106 GLU H H 7.887 0.030 1 1178 106 106 GLU HA H 4.118 0.030 1 1179 106 106 GLU HB2 H 2.097 0.030 2 1180 106 106 GLU HB3 H 2.045 0.030 2 1181 106 106 GLU HG2 H 2.358 0.030 2 1182 106 106 GLU HG3 H 2.307 0.030 2 1183 106 106 GLU C C 178.672 0.300 1 1184 106 106 GLU CA C 58.812 0.300 1 1185 106 106 GLU CB C 29.229 0.300 1 1186 106 106 GLU CG C 36.380 0.300 1 1187 106 106 GLU N N 121.264 0.300 1 1188 107 107 ALA H H 7.527 0.030 1 1189 107 107 ALA HA H 4.137 0.030 1 1190 107 107 ALA HB H 1.507 0.030 1 1191 107 107 ALA C C 177.865 0.300 1 1192 107 107 ALA CA C 54.028 0.300 1 1193 107 107 ALA CB C 19.857 0.300 1 1194 107 107 ALA N N 121.415 0.300 1 1195 108 108 ALA H H 7.673 0.030 1 1196 108 108 ALA HA H 4.217 0.030 1 1197 108 108 ALA HB H 1.647 0.030 1 1198 108 108 ALA C C 178.626 0.300 1 1199 108 108 ALA CA C 52.991 0.300 1 1200 108 108 ALA CB C 21.048 0.300 1 1201 108 108 ALA N N 117.471 0.300 1 1202 109 109 ARG H H 7.297 0.030 1 1203 109 109 ARG HA H 4.257 0.030 1 1204 109 109 ARG HB2 H 1.898 0.030 1 1205 109 109 ARG HB3 H 1.898 0.030 1 1206 109 109 ARG HD2 H 3.238 0.030 1 1207 109 109 ARG HD3 H 3.238 0.030 1 1208 109 109 ARG HG2 H 1.767 0.030 2 1209 109 109 ARG HG3 H 1.627 0.030 2 1210 109 109 ARG C C 176.035 0.300 1 1211 109 109 ARG CA C 56.930 0.300 1 1212 109 109 ARG CB C 31.278 0.300 1 1213 109 109 ARG CD C 43.737 0.300 1 1214 109 109 ARG CG C 27.239 0.300 1 1215 109 109 ARG N N 118.184 0.300 1 1216 110 110 VAL H H 8.327 0.030 1 1217 110 110 VAL HA H 4.066 0.030 1 1218 110 110 VAL HB H 2.067 0.030 1 1219 110 110 VAL HG1 H 1.002 0.030 1 1220 110 110 VAL HG2 H 0.956 0.030 1 1221 110 110 VAL C C 176.261 0.300 1 1222 110 110 VAL CA C 62.575 0.300 1 1223 110 110 VAL CB C 32.742 0.300 1 1224 110 110 VAL CG1 C 21.076 0.300 2 1225 110 110 VAL CG2 C 21.172 0.300 2 1226 110 110 VAL N N 123.486 0.300 1 1227 111 111 GLN H H 8.568 0.030 1 1228 111 111 GLN HA H 4.400 0.030 1 1229 111 111 GLN HB2 H 2.000 0.030 2 1230 111 111 GLN HB3 H 2.120 0.030 2 1231 111 111 GLN HE21 H 7.567 0.030 2 1232 111 111 GLN HE22 H 6.891 0.030 2 1233 111 111 GLN HG2 H 2.377 0.030 1 1234 111 111 GLN HG3 H 2.377 0.030 1 1235 111 111 GLN C C 175.757 0.300 1 1236 111 111 GLN CA C 55.787 0.300 1 1237 111 111 GLN CB C 29.616 0.300 1 1238 111 111 GLN CG C 33.779 0.300 1 1239 111 111 GLN N N 124.912 0.300 1 1240 111 111 GLN NE2 N 112.669 0.300 1 1241 112 112 SER H H 8.441 0.030 1 1242 112 112 SER HA H 4.449 0.030 1 1243 112 112 SER HB2 H 3.848 0.030 1 1244 112 112 SER HB3 H 3.848 0.030 1 1245 112 112 SER C C 174.480 0.300 1 1246 112 112 SER CA C 57.708 0.300 1 1247 112 112 SER CB C 63.919 0.300 1 1248 112 112 SER N N 118.025 0.300 1 1249 113 113 GLY H H 8.333 0.030 1 1250 113 113 GLY HA2 H 4.172 0.030 2 1251 113 113 GLY HA3 H 4.097 0.030 2 1252 113 113 GLY C C 171.785 0.300 1 1253 113 113 GLY CA C 44.654 0.300 1 1254 113 113 GLY N N 110.749 0.300 1 1255 114 114 PRO HA H 4.477 0.030 1 1256 114 114 PRO HB2 H 1.976 0.030 2 1257 114 114 PRO HB3 H 2.299 0.030 2 1258 114 114 PRO HD2 H 3.630 0.030 1 1259 114 114 PRO HD3 H 3.630 0.030 1 1260 114 114 PRO HG2 H 2.014 0.030 1 1261 114 114 PRO HG3 H 2.014 0.030 1 1262 114 114 PRO C C 177.431 0.300 1 1263 114 114 PRO CA C 63.261 0.300 1 1264 114 114 PRO CB C 32.188 0.300 1 1265 114 114 PRO CD C 49.780 0.300 1 1266 114 114 PRO CG C 27.173 0.300 1 1267 115 115 SER H H 8.556 0.030 1 1268 115 115 SER HA H 4.491 0.030 1 1269 115 115 SER HB2 H 3.879 0.030 1 1270 115 115 SER HB3 H 3.879 0.030 1 1271 115 115 SER C C 174.674 0.300 1 1272 115 115 SER CA C 58.390 0.300 1 1273 115 115 SER CB C 63.796 0.300 1 1274 115 115 SER N N 116.453 0.300 1 1275 116 116 SER H H 8.337 0.030 1 1276 116 116 SER HA H 4.477 0.030 1 1277 116 116 SER HB2 H 3.879 0.030 1 1278 116 116 SER HB3 H 3.879 0.030 1 1279 116 116 SER C C 173.945 0.300 1 1280 116 116 SER CA C 58.390 0.300 1 1281 116 116 SER CB C 64.001 0.300 1 1282 116 116 SER N N 117.833 0.300 1 1283 117 117 GLY H H 8.058 0.030 1 1284 117 117 GLY HA2 H 3.795 0.030 2 1285 117 117 GLY HA3 H 3.744 0.030 2 1286 117 117 GLY C C 179.026 0.300 1 1287 117 117 GLY CA C 46.237 0.300 1 1288 117 117 GLY N N 116.876 0.300 1 stop_ save_