data_10056 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Ras-binding domain of mouse RGS14 ; _BMRB_accession_number 10056 _BMRB_flat_file_name bmr10056.str _Entry_type original _Submission_date 2006-11-29 _Accession_date 2006-11-30 _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 Nakanishi T. . . 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" 551 "13C chemical shifts" 410 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the Ras-binding domain of mouse RGS14' _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 Nakanishi T. . . 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 'regulator of G-protein signaling 14; rap1/rap2 interacting protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'regulator of G-protein signaling 14; rap1/rap2 interacting protein' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Raf-like Ras-binding domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; GSSGSSGDQEVRLENRITFQ LELVGLERVVRISAKPTKRL QEALQPILAKHGLSLDQVVL HRPGEKQPMDLENPVSSVAS QTLVLDTPPDAKMSEARSSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 GLN 10 GLU 11 VAL 12 ARG 13 LEU 14 GLU 15 ASN 16 ARG 17 ILE 18 THR 19 PHE 20 GLN 21 LEU 22 GLU 23 LEU 24 VAL 25 GLY 26 LEU 27 GLU 28 ARG 29 VAL 30 VAL 31 ARG 32 ILE 33 SER 34 ALA 35 LYS 36 PRO 37 THR 38 LYS 39 ARG 40 LEU 41 GLN 42 GLU 43 ALA 44 LEU 45 GLN 46 PRO 47 ILE 48 LEU 49 ALA 50 LYS 51 HIS 52 GLY 53 LEU 54 SER 55 LEU 56 ASP 57 GLN 58 VAL 59 VAL 60 LEU 61 HIS 62 ARG 63 PRO 64 GLY 65 GLU 66 LYS 67 GLN 68 PRO 69 MET 70 ASP 71 LEU 72 GLU 73 ASN 74 PRO 75 VAL 76 SER 77 SER 78 VAL 79 ALA 80 SER 81 GLN 82 THR 83 LEU 84 VAL 85 LEU 86 ASP 87 THR 88 PRO 89 PRO 90 ASP 91 ALA 92 LYS 93 MET 94 SER 95 GLU 96 ALA 97 ARG 98 SER 99 SER 100 GLY 101 PRO 102 SER 103 SER 104 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 1WFY "Solution Structure Of The Ras-Binding Domain Of Mouse Rgs14" 100.00 104 100.00 100.00 8.66e-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 mouse 10090 Eukaryota Metazoa Mus musculus 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 P030120-12 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 0.18 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 0.870 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 7.5 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'regulator of G-protein signaling 14; rap1/rap2 interacting protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 4.005 0.030 1 2 7 7 GLY HA3 H 4.005 0.030 1 3 7 7 GLY C C 174.161 0.300 1 4 7 7 GLY CA C 45.532 0.300 1 5 8 8 ASP H H 8.240 0.030 1 6 8 8 ASP HA H 4.608 0.030 1 7 8 8 ASP HB2 H 2.654 0.030 2 8 8 8 ASP HB3 H 2.705 0.030 2 9 8 8 ASP C C 176.540 0.300 1 10 8 8 ASP CA C 54.653 0.300 1 11 8 8 ASP CB C 41.149 0.300 1 12 8 8 ASP N N 120.496 0.300 1 13 9 9 GLN H H 8.348 0.030 1 14 9 9 GLN HA H 4.303 0.030 1 15 9 9 GLN HB2 H 2.002 0.030 2 16 9 9 GLN HB3 H 2.155 0.030 2 17 9 9 GLN HG2 H 2.383 0.030 1 18 9 9 GLN HG3 H 2.383 0.030 1 19 9 9 GLN HE21 H 7.536 0.030 2 20 9 9 GLN HE22 H 6.857 0.030 2 21 9 9 GLN C C 176.139 0.300 1 22 9 9 GLN CA C 56.070 0.300 1 23 9 9 GLN CB C 29.426 0.300 1 24 9 9 GLN CG C 33.846 0.300 1 25 9 9 GLN N N 119.937 0.300 1 26 9 9 GLN NE2 N 112.716 0.300 1 27 10 10 GLU H H 8.359 0.030 1 28 10 10 GLU HA H 4.262 0.030 1 29 10 10 GLU HB2 H 1.962 0.030 1 30 10 10 GLU HB3 H 1.962 0.030 1 31 10 10 GLU HG2 H 2.223 0.030 2 32 10 10 GLU HG3 H 2.302 0.030 2 33 10 10 GLU C C 176.596 0.300 1 34 10 10 GLU CA C 56.842 0.300 1 35 10 10 GLU CB C 30.340 0.300 1 36 10 10 GLU CG C 36.368 0.300 1 37 10 10 GLU N N 121.810 0.300 1 38 11 11 VAL H H 8.176 0.030 1 39 11 11 VAL HA H 4.062 0.030 1 40 11 11 VAL HB H 2.063 0.030 1 41 11 11 VAL HG1 H 0.929 0.030 1 42 11 11 VAL HG2 H 0.929 0.030 1 43 11 11 VAL C C 176.149 0.300 1 44 11 11 VAL CA C 62.661 0.300 1 45 11 11 VAL CB C 32.633 0.300 1 46 11 11 VAL CG1 C 20.806 0.300 1 47 11 11 VAL CG2 C 20.806 0.300 1 48 11 11 VAL N N 121.947 0.300 1 49 12 12 ARG H H 8.392 0.030 1 50 12 12 ARG HA H 4.388 0.030 1 51 12 12 ARG HB2 H 1.805 0.030 2 52 12 12 ARG HB3 H 1.910 0.030 2 53 12 12 ARG HG2 H 1.673 0.030 2 54 12 12 ARG HG3 H 1.649 0.030 2 55 12 12 ARG HD2 H 3.214 0.030 1 56 12 12 ARG HD3 H 3.214 0.030 1 57 12 12 ARG C C 176.201 0.300 1 58 12 12 ARG CA C 55.911 0.300 1 59 12 12 ARG CB C 31.032 0.300 1 60 12 12 ARG CG C 27.112 0.300 1 61 12 12 ARG CD C 43.346 0.300 1 62 12 12 ARG N N 125.227 0.300 1 63 13 13 LEU H H 8.319 0.030 1 64 13 13 LEU HA H 4.331 0.030 1 65 13 13 LEU HB2 H 1.574 0.030 2 66 13 13 LEU HB3 H 1.661 0.030 2 67 13 13 LEU HG H 1.632 0.030 1 68 13 13 LEU HD1 H 0.924 0.030 1 69 13 13 LEU HD2 H 0.870 0.030 1 70 13 13 LEU C C 177.298 0.300 1 71 13 13 LEU CA C 55.313 0.300 1 72 13 13 LEU CB C 42.433 0.300 1 73 13 13 LEU CG C 27.053 0.300 1 74 13 13 LEU CD1 C 25.034 0.300 2 75 13 13 LEU CD2 C 23.497 0.300 2 76 13 13 LEU N N 123.923 0.300 1 77 14 14 GLU H H 8.452 0.030 1 78 14 14 GLU HA H 4.306 0.030 1 79 14 14 GLU HB2 H 2.088 0.030 2 80 14 14 GLU HB3 H 2.064 0.030 2 81 14 14 GLU HG2 H 2.273 0.030 2 82 14 14 GLU HG3 H 2.526 0.030 2 83 14 14 GLU C C 176.018 0.300 1 84 14 14 GLU CA C 56.475 0.300 1 85 14 14 GLU CB C 30.307 0.300 1 86 14 14 GLU CG C 37.026 0.300 1 87 14 14 GLU N N 121.096 0.300 1 88 15 15 ASN HA H 4.688 0.030 1 89 15 15 ASN HB2 H 2.848 0.030 2 90 15 15 ASN HB3 H 2.786 0.030 2 91 15 15 ASN C C 174.776 0.300 1 92 15 15 ASN CA C 53.380 0.300 1 93 15 15 ASN CB C 38.754 0.300 1 94 16 16 ARG H H 8.024 0.030 1 95 16 16 ARG HA H 4.437 0.030 1 96 16 16 ARG HB2 H 1.647 0.030 1 97 16 16 ARG HB3 H 1.647 0.030 1 98 16 16 ARG HG2 H 1.404 0.030 2 99 16 16 ARG HG3 H 1.631 0.030 2 100 16 16 ARG HD2 H 2.977 0.030 2 101 16 16 ARG HD3 H 3.089 0.030 2 102 16 16 ARG C C 175.583 0.300 1 103 16 16 ARG CA C 55.853 0.300 1 104 16 16 ARG CB C 33.054 0.300 1 105 16 16 ARG CG C 27.742 0.300 1 106 16 16 ARG CD C 43.557 0.300 1 107 16 16 ARG N N 118.866 0.300 1 108 17 17 ILE H H 8.796 0.030 1 109 17 17 ILE HA H 4.610 0.030 1 110 17 17 ILE HB H 2.111 0.030 1 111 17 17 ILE HG12 H 1.251 0.030 2 112 17 17 ILE HG13 H 1.356 0.030 2 113 17 17 ILE HG2 H 0.978 0.030 1 114 17 17 ILE HD1 H 0.886 0.030 1 115 17 17 ILE C C 175.024 0.300 1 116 17 17 ILE CA C 58.277 0.300 1 117 17 17 ILE CB C 40.143 0.300 1 118 17 17 ILE CG1 C 27.906 0.300 1 119 17 17 ILE CG2 C 20.255 0.300 1 120 17 17 ILE CD1 C 12.990 0.300 1 121 17 17 ILE N N 119.494 0.300 1 122 18 18 THR H H 8.537 0.030 1 123 18 18 THR HA H 5.834 0.030 1 124 18 18 THR HB H 3.928 0.030 1 125 18 18 THR HG2 H 1.091 0.030 1 126 18 18 THR C C 173.716 0.300 1 127 18 18 THR CA C 60.147 0.300 1 128 18 18 THR CB C 72.058 0.300 1 129 18 18 THR CG2 C 21.233 0.300 1 130 18 18 THR N N 116.275 0.300 1 131 19 19 PHE H H 8.768 0.030 1 132 19 19 PHE HA H 4.901 0.030 1 133 19 19 PHE HB2 H 3.570 0.030 2 134 19 19 PHE HB3 H 3.241 0.030 2 135 19 19 PHE HD1 H 6.911 0.030 1 136 19 19 PHE HD2 H 6.911 0.030 1 137 19 19 PHE HE1 H 6.760 0.030 1 138 19 19 PHE HE2 H 6.760 0.030 1 139 19 19 PHE HZ H 6.665 0.030 1 140 19 19 PHE C C 172.037 0.300 1 141 19 19 PHE CA C 56.499 0.300 1 142 19 19 PHE CB C 40.613 0.300 1 143 19 19 PHE CD1 C 132.956 0.300 1 144 19 19 PHE CD2 C 132.956 0.300 1 145 19 19 PHE CE1 C 129.680 0.300 1 146 19 19 PHE CE2 C 129.680 0.300 1 147 19 19 PHE CZ C 127.921 0.300 1 148 19 19 PHE N N 120.504 0.300 1 149 20 20 GLN H H 8.816 0.030 1 150 20 20 GLN HA H 5.193 0.030 1 151 20 20 GLN HB2 H 1.930 0.030 2 152 20 20 GLN HB3 H 2.141 0.030 2 153 20 20 GLN HG2 H 2.176 0.030 1 154 20 20 GLN HG3 H 2.176 0.030 1 155 20 20 GLN HE21 H 7.209 0.030 2 156 20 20 GLN HE22 H 6.585 0.030 2 157 20 20 GLN C C 173.841 0.300 1 158 20 20 GLN CA C 54.688 0.300 1 159 20 20 GLN CB C 32.751 0.300 1 160 20 20 GLN CG C 35.579 0.300 1 161 20 20 GLN N N 117.489 0.300 1 162 20 20 GLN NE2 N 109.854 0.300 1 163 21 21 LEU H H 9.120 0.030 1 164 21 21 LEU HA H 5.192 0.030 1 165 21 21 LEU HB2 H 1.120 0.030 2 166 21 21 LEU HB3 H 1.702 0.030 2 167 21 21 LEU HG H 1.321 0.030 1 168 21 21 LEU HD1 H 0.775 0.030 1 169 21 21 LEU HD2 H 0.815 0.030 1 170 21 21 LEU C C 174.606 0.300 1 171 21 21 LEU CA C 52.715 0.300 1 172 21 21 LEU CB C 46.425 0.300 1 173 21 21 LEU CG C 26.879 0.300 1 174 21 21 LEU CD1 C 26.889 0.300 2 175 21 21 LEU CD2 C 25.793 0.300 2 176 21 21 LEU N N 123.420 0.300 1 177 22 22 GLU H H 9.255 0.030 1 178 22 22 GLU HA H 4.601 0.030 1 179 22 22 GLU HB2 H 2.065 0.030 2 180 22 22 GLU HB3 H 1.913 0.030 2 181 22 22 GLU HG2 H 1.932 0.030 2 182 22 22 GLU HG3 H 2.140 0.030 2 183 22 22 GLU C C 175.028 0.300 1 184 22 22 GLU CA C 55.471 0.300 1 185 22 22 GLU CB C 30.571 0.300 1 186 22 22 GLU CG C 35.872 0.300 1 187 22 22 GLU N N 126.840 0.300 1 188 23 23 LEU H H 8.747 0.030 1 189 23 23 LEU HA H 4.779 0.030 1 190 23 23 LEU HB2 H 1.754 0.030 2 191 23 23 LEU HB3 H 1.416 0.030 2 192 23 23 LEU HG H 1.517 0.030 1 193 23 23 LEU HD1 H 0.589 0.030 1 194 23 23 LEU HD2 H 0.589 0.030 1 195 23 23 LEU C C 176.801 0.300 1 196 23 23 LEU CA C 53.853 0.300 1 197 23 23 LEU CB C 40.626 0.300 1 198 23 23 LEU CG C 27.408 0.300 1 199 23 23 LEU CD1 C 25.993 0.300 2 200 23 23 LEU CD2 C 25.576 0.300 2 201 23 23 LEU N N 127.920 0.300 1 202 24 24 VAL H H 7.834 0.030 1 203 24 24 VAL HA H 3.746 0.030 1 204 24 24 VAL HB H 2.158 0.030 1 205 24 24 VAL HG1 H 1.002 0.030 1 206 24 24 VAL HG2 H 1.046 0.030 1 207 24 24 VAL C C 178.527 0.300 1 208 24 24 VAL CA C 66.195 0.300 1 209 24 24 VAL CB C 32.030 0.300 1 210 24 24 VAL CG1 C 20.962 0.300 2 211 24 24 VAL CG2 C 22.550 0.300 2 212 24 24 VAL N N 124.651 0.300 1 213 25 25 GLY H H 9.137 0.030 1 214 25 25 GLY HA2 H 3.858 0.030 2 215 25 25 GLY HA3 H 4.063 0.030 2 216 25 25 GLY C C 174.651 0.300 1 217 25 25 GLY CA C 45.843 0.300 1 218 25 25 GLY N N 111.896 0.300 1 219 26 26 LEU H H 7.486 0.030 1 220 26 26 LEU HA H 4.516 0.030 1 221 26 26 LEU HB2 H 1.538 0.030 2 222 26 26 LEU HB3 H 1.439 0.030 2 223 26 26 LEU HG H 1.515 0.030 1 224 26 26 LEU HD1 H 0.715 0.030 1 225 26 26 LEU HD2 H 0.843 0.030 1 226 26 26 LEU C C 176.079 0.300 1 227 26 26 LEU CA C 54.371 0.300 1 228 26 26 LEU CB C 43.173 0.300 1 229 26 26 LEU CG C 27.181 0.300 1 230 26 26 LEU CD1 C 25.298 0.300 2 231 26 26 LEU CD2 C 23.318 0.300 2 232 26 26 LEU N N 119.036 0.300 1 233 27 27 GLU H H 8.160 0.030 1 234 27 27 GLU HA H 4.009 0.030 1 235 27 27 GLU HB2 H 2.129 0.030 1 236 27 27 GLU HB3 H 2.129 0.030 1 237 27 27 GLU HG2 H 2.198 0.030 1 238 27 27 GLU HG3 H 2.198 0.030 1 239 27 27 GLU C C 175.265 0.300 1 240 27 27 GLU CA C 56.935 0.300 1 241 27 27 GLU CB C 27.913 0.300 1 242 27 27 GLU CG C 36.799 0.300 1 243 27 27 GLU N N 117.496 0.300 1 244 28 28 ARG H H 7.357 0.030 1 245 28 28 ARG HA H 4.733 0.030 1 246 28 28 ARG HB2 H 1.612 0.030 2 247 28 28 ARG HB3 H 1.762 0.030 2 248 28 28 ARG HG2 H 1.585 0.030 2 249 28 28 ARG HG3 H 1.570 0.030 2 250 28 28 ARG HD2 H 3.128 0.030 2 251 28 28 ARG HD3 H 3.264 0.030 2 252 28 28 ARG C C 174.402 0.300 1 253 28 28 ARG CA C 54.825 0.300 1 254 28 28 ARG CB C 33.999 0.300 1 255 28 28 ARG CG C 26.752 0.300 1 256 28 28 ARG CD C 43.347 0.300 1 257 28 28 ARG N N 115.899 0.300 1 258 29 29 VAL H H 8.412 0.030 1 259 29 29 VAL HA H 4.825 0.030 1 260 29 29 VAL HB H 1.905 0.030 1 261 29 29 VAL HG1 H 0.799 0.030 1 262 29 29 VAL HG2 H 0.872 0.030 1 263 29 29 VAL C C 175.636 0.300 1 264 29 29 VAL CA C 61.275 0.300 1 265 29 29 VAL CB C 33.679 0.300 1 266 29 29 VAL CG1 C 21.051 0.300 2 267 29 29 VAL CG2 C 21.143 0.300 2 268 29 29 VAL N N 122.207 0.300 1 269 30 30 VAL H H 9.004 0.030 1 270 30 30 VAL HA H 4.495 0.030 1 271 30 30 VAL HB H 2.010 0.030 1 272 30 30 VAL HG1 H 0.876 0.030 1 273 30 30 VAL HG2 H 0.842 0.030 1 274 30 30 VAL C C 174.045 0.300 1 275 30 30 VAL CA C 60.047 0.300 1 276 30 30 VAL CB C 34.829 0.300 1 277 30 30 VAL CG1 C 21.405 0.300 2 278 30 30 VAL CG2 C 20.476 0.300 2 279 30 30 VAL N N 124.516 0.300 1 280 31 31 ARG H H 8.572 0.030 1 281 31 31 ARG HA H 4.672 0.030 1 282 31 31 ARG HB2 H 1.668 0.030 1 283 31 31 ARG HB3 H 1.668 0.030 1 284 31 31 ARG HG2 H 1.351 0.030 2 285 31 31 ARG HG3 H 1.526 0.030 2 286 31 31 ARG HD2 H 3.131 0.030 1 287 31 31 ARG HD3 H 3.131 0.030 1 288 31 31 ARG C C 175.270 0.300 1 289 31 31 ARG CA C 55.561 0.300 1 290 31 31 ARG CB C 31.323 0.300 1 291 31 31 ARG CG C 27.847 0.300 1 292 31 31 ARG CD C 43.455 0.300 1 293 31 31 ARG N N 125.366 0.300 1 294 32 32 ILE H H 8.585 0.030 1 295 32 32 ILE HA H 4.076 0.030 1 296 32 32 ILE HB H 0.297 0.030 1 297 32 32 ILE HG12 H 0.810 0.030 2 298 32 32 ILE HG13 H 0.975 0.030 2 299 32 32 ILE HG2 H 0.549 0.030 1 300 32 32 ILE HD1 H 0.535 0.030 1 301 32 32 ILE C C 173.814 0.300 1 302 32 32 ILE CA C 59.742 0.300 1 303 32 32 ILE CB C 38.612 0.300 1 304 32 32 ILE CG1 C 27.490 0.300 1 305 32 32 ILE CG2 C 18.061 0.300 1 306 32 32 ILE CD1 C 13.409 0.300 1 307 32 32 ILE N N 127.936 0.300 1 308 33 33 SER H H 8.182 0.030 1 309 33 33 SER HA H 5.662 0.030 1 310 33 33 SER HB2 H 3.607 0.030 2 311 33 33 SER HB3 H 3.569 0.030 2 312 33 33 SER C C 174.340 0.300 1 313 33 33 SER CA C 55.920 0.300 1 314 33 33 SER CB C 64.865 0.300 1 315 33 33 SER N N 119.876 0.300 1 316 34 34 ALA H H 9.163 0.030 1 317 34 34 ALA HA H 4.864 0.030 1 318 34 34 ALA HB H 1.435 0.030 1 319 34 34 ALA C C 175.549 0.300 1 320 34 34 ALA CA C 50.962 0.300 1 321 34 34 ALA CB C 23.914 0.300 1 322 34 34 ALA N N 126.285 0.300 1 323 35 35 LYS H H 8.734 0.030 1 324 35 35 LYS HA H 4.620 0.030 1 325 35 35 LYS HB2 H 1.834 0.030 2 326 35 35 LYS HB3 H 1.981 0.030 2 327 35 35 LYS HG2 H 1.590 0.030 2 328 35 35 LYS HG3 H 1.689 0.030 2 329 35 35 LYS HD2 H 1.759 0.030 1 330 35 35 LYS HD3 H 1.759 0.030 1 331 35 35 LYS HE2 H 3.088 0.030 2 332 35 35 LYS HE3 H 2.959 0.030 2 333 35 35 LYS C C 175.980 0.300 1 334 35 35 LYS CA C 55.635 0.300 1 335 35 35 LYS CB C 32.243 0.300 1 336 35 35 LYS CG C 25.739 0.300 1 337 35 35 LYS CD C 29.757 0.300 1 338 35 35 LYS CE C 42.242 0.300 1 339 35 35 LYS N N 122.933 0.300 1 340 36 36 PRO HA H 4.032 0.030 1 341 36 36 PRO HB2 H 2.300 0.030 2 342 36 36 PRO HB3 H 2.144 0.030 2 343 36 36 PRO HG2 H 2.095 0.030 2 344 36 36 PRO HG3 H 2.178 0.030 2 345 36 36 PRO HD2 H 3.752 0.030 2 346 36 36 PRO HD3 H 3.888 0.030 2 347 36 36 PRO C C 175.796 0.300 1 348 36 36 PRO CA C 65.202 0.300 1 349 36 36 PRO CB C 32.538 0.300 1 350 36 36 PRO CG C 27.861 0.300 1 351 36 36 PRO CD C 50.849 0.300 1 352 37 37 THR H H 6.887 0.030 1 353 37 37 THR HA H 4.249 0.030 1 354 37 37 THR HB H 4.523 0.030 1 355 37 37 THR HG2 H 1.281 0.030 1 356 37 37 THR C C 176.206 0.300 1 357 37 37 THR CA C 61.018 0.300 1 358 37 37 THR CB C 69.236 0.300 1 359 37 37 THR CG2 C 22.263 0.300 1 360 37 37 THR N N 138.274 0.300 1 361 38 38 LYS H H 7.612 0.030 1 362 38 38 LYS HA H 4.233 0.030 1 363 38 38 LYS HB2 H 1.911 0.030 2 364 38 38 LYS HB3 H 1.772 0.030 2 365 38 38 LYS HG2 H 1.710 0.030 2 366 38 38 LYS HG3 H 1.642 0.030 2 367 38 38 LYS HD2 H 1.698 0.030 1 368 38 38 LYS HD3 H 1.698 0.030 1 369 38 38 LYS HE2 H 3.017 0.030 1 370 38 38 LYS HE3 H 3.017 0.030 1 371 38 38 LYS C C 176.046 0.300 1 372 38 38 LYS CA C 56.274 0.300 1 373 38 38 LYS CB C 32.716 0.300 1 374 38 38 LYS CG C 25.318 0.300 1 375 38 38 LYS CD C 29.070 0.300 1 376 38 38 LYS CE C 42.104 0.300 1 377 38 38 LYS N N 124.014 0.300 1 378 39 39 ARG H H 9.037 0.030 1 379 39 39 ARG HA H 4.353 0.030 1 380 39 39 ARG HB2 H 1.787 0.030 2 381 39 39 ARG HB3 H 1.993 0.030 2 382 39 39 ARG HG2 H 1.799 0.030 2 383 39 39 ARG HG3 H 1.903 0.030 2 384 39 39 ARG HD2 H 3.268 0.030 2 385 39 39 ARG HD3 H 3.381 0.030 2 386 39 39 ARG C C 178.870 0.300 1 387 39 39 ARG CA C 56.546 0.300 1 388 39 39 ARG CB C 31.262 0.300 1 389 39 39 ARG CG C 27.953 0.300 1 390 39 39 ARG CD C 43.971 0.300 1 391 39 39 ARG N N 122.769 0.300 1 392 40 40 LEU H H 8.921 0.030 1 393 40 40 LEU HA H 3.702 0.030 1 394 40 40 LEU HB2 H 1.880 0.030 2 395 40 40 LEU HB3 H 1.135 0.030 2 396 40 40 LEU HG H 1.328 0.030 1 397 40 40 LEU HD1 H 0.622 0.030 1 398 40 40 LEU HD2 H 0.444 0.030 1 399 40 40 LEU C C 179.087 0.300 1 400 40 40 LEU CA C 59.539 0.300 1 401 40 40 LEU CB C 42.310 0.300 1 402 40 40 LEU CG C 27.845 0.300 1 403 40 40 LEU CD1 C 25.411 0.300 2 404 40 40 LEU CD2 C 24.579 0.300 2 405 40 40 LEU N N 125.800 0.300 1 406 41 41 GLN H H 8.986 0.030 1 407 41 41 GLN HA H 3.789 0.030 1 408 41 41 GLN HB2 H 1.933 0.030 2 409 41 41 GLN HB3 H 2.169 0.030 2 410 41 41 GLN HG2 H 2.258 0.030 2 411 41 41 GLN HG3 H 2.230 0.030 2 412 41 41 GLN HE21 H 7.436 0.030 2 413 41 41 GLN HE22 H 6.791 0.030 2 414 41 41 GLN C C 176.892 0.300 1 415 41 41 GLN CA C 59.811 0.300 1 416 41 41 GLN CB C 28.395 0.300 1 417 41 41 GLN CG C 32.935 0.300 1 418 41 41 GLN N N 113.651 0.300 1 419 41 41 GLN NE2 N 110.680 0.300 1 420 42 42 GLU H H 6.864 0.030 1 421 42 42 GLU HA H 4.211 0.030 1 422 42 42 GLU HB2 H 2.342 0.030 2 423 42 42 GLU HB3 H 2.111 0.030 2 424 42 42 GLU HG2 H 2.399 0.030 2 425 42 42 GLU HG3 H 2.317 0.030 2 426 42 42 GLU C C 179.427 0.300 1 427 42 42 GLU CA C 58.656 0.300 1 428 42 42 GLU CB C 30.571 0.300 1 429 42 42 GLU CG C 37.714 0.300 1 430 42 42 GLU N N 115.798 0.300 1 431 43 43 ALA H H 8.091 0.030 1 432 43 43 ALA HA H 4.219 0.030 1 433 43 43 ALA HB H 1.390 0.030 1 434 43 43 ALA C C 178.476 0.300 1 435 43 43 ALA CA C 53.914 0.300 1 436 43 43 ALA CB C 18.478 0.300 1 437 43 43 ALA N N 121.246 0.300 1 438 44 44 LEU H H 8.027 0.030 1 439 44 44 LEU HA H 4.198 0.030 1 440 44 44 LEU HB2 H 1.774 0.030 2 441 44 44 LEU HB3 H 1.417 0.030 2 442 44 44 LEU HG H 1.904 0.030 1 443 44 44 LEU HD1 H 0.855 0.030 1 444 44 44 LEU HD2 H 0.827 0.030 1 445 44 44 LEU C C 177.925 0.300 1 446 44 44 LEU CA C 55.874 0.300 1 447 44 44 LEU CB C 43.043 0.300 1 448 44 44 LEU CG C 27.333 0.300 1 449 44 44 LEU CD1 C 24.278 0.300 2 450 44 44 LEU CD2 C 26.187 0.300 2 451 44 44 LEU N N 112.441 0.300 1 452 45 45 GLN H H 7.560 0.030 1 453 45 45 GLN HA H 4.051 0.030 1 454 45 45 GLN HB2 H 2.359 0.030 1 455 45 45 GLN HB3 H 2.359 0.030 1 456 45 45 GLN HG2 H 2.581 0.030 2 457 45 45 GLN HG3 H 2.673 0.030 2 458 45 45 GLN HE21 H 6.852 0.030 2 459 45 45 GLN HE22 H 7.430 0.030 2 460 45 45 GLN C C 174.567 0.300 1 461 45 45 GLN CA C 62.041 0.300 1 462 45 45 GLN CB C 25.803 0.300 1 463 45 45 GLN CG C 33.743 0.300 1 464 45 45 GLN N N 118.857 0.300 1 465 45 45 GLN NE2 N 111.406 0.300 1 466 46 46 PRO HA H 4.421 0.030 1 467 46 46 PRO HB2 H 2.395 0.030 2 468 46 46 PRO HB3 H 1.903 0.030 2 469 46 46 PRO HG2 H 2.153 0.030 2 470 46 46 PRO HG3 H 2.096 0.030 2 471 46 46 PRO HD2 H 3.736 0.030 2 472 46 46 PRO HD3 H 3.793 0.030 2 473 46 46 PRO C C 179.645 0.300 1 474 46 46 PRO CA C 66.093 0.300 1 475 46 46 PRO CB C 31.185 0.300 1 476 46 46 PRO CG C 28.438 0.300 1 477 46 46 PRO CD C 50.290 0.300 1 478 47 47 ILE H H 7.336 0.030 1 479 47 47 ILE HA H 4.007 0.030 1 480 47 47 ILE HB H 2.117 0.030 1 481 47 47 ILE HG12 H 1.501 0.030 1 482 47 47 ILE HG13 H 1.501 0.030 1 483 47 47 ILE HG2 H 0.945 0.030 1 484 47 47 ILE HD1 H 0.935 0.030 1 485 47 47 ILE C C 177.745 0.300 1 486 47 47 ILE CA C 62.454 0.300 1 487 47 47 ILE CB C 37.402 0.300 1 488 47 47 ILE CG1 C 29.158 0.300 1 489 47 47 ILE CG2 C 18.251 0.300 1 490 47 47 ILE CD1 C 12.646 0.300 1 491 47 47 ILE N N 118.456 0.300 1 492 48 48 LEU H H 8.016 0.030 1 493 48 48 LEU HA H 3.914 0.030 1 494 48 48 LEU HB2 H 1.810 0.030 2 495 48 48 LEU HB3 H 1.625 0.030 2 496 48 48 LEU HG H 1.778 0.030 1 497 48 48 LEU HD1 H 0.767 0.030 1 498 48 48 LEU HD2 H 0.689 0.030 1 499 48 48 LEU C C 179.620 0.300 1 500 48 48 LEU CA C 58.380 0.300 1 501 48 48 LEU CB C 39.318 0.300 1 502 48 48 LEU CG C 26.905 0.300 1 503 48 48 LEU CD1 C 26.013 0.300 2 504 48 48 LEU CD2 C 23.386 0.300 2 505 48 48 LEU N N 120.036 0.300 1 506 49 49 ALA H H 8.215 0.030 1 507 49 49 ALA HA H 4.206 0.030 1 508 49 49 ALA HB H 1.499 0.030 1 509 49 49 ALA C C 181.327 0.300 1 510 49 49 ALA CA C 54.999 0.300 1 511 49 49 ALA CB C 18.096 0.300 1 512 49 49 ALA N N 120.032 0.300 1 513 50 50 LYS H H 7.548 0.030 1 514 50 50 LYS HA H 3.992 0.030 1 515 50 50 LYS HB2 H 1.731 0.030 2 516 50 50 LYS HB3 H 1.887 0.030 2 517 50 50 LYS HG2 H 1.018 0.030 2 518 50 50 LYS HG3 H 1.249 0.030 2 519 50 50 LYS HD2 H 1.556 0.030 2 520 50 50 LYS HD3 H 1.609 0.030 2 521 50 50 LYS HE2 H 2.899 0.030 1 522 50 50 LYS HE3 H 2.899 0.030 1 523 50 50 LYS C C 177.390 0.300 1 524 50 50 LYS CA C 58.581 0.300 1 525 50 50 LYS CB C 32.336 0.300 1 526 50 50 LYS CG C 24.546 0.300 1 527 50 50 LYS CD C 29.196 0.300 1 528 50 50 LYS CE C 42.131 0.300 1 529 50 50 LYS N N 118.402 0.300 1 530 51 51 HIS H H 7.278 0.030 1 531 51 51 HIS HA H 4.626 0.030 1 532 51 51 HIS HB2 H 3.431 0.030 2 533 51 51 HIS HB3 H 2.633 0.030 2 534 51 51 HIS HD2 H 6.977 0.030 1 535 51 51 HIS C C 174.589 0.300 1 536 51 51 HIS CA C 56.522 0.300 1 537 51 51 HIS CB C 30.592 0.300 1 538 51 51 HIS CD2 C 120.190 0.300 1 539 51 51 HIS N N 114.386 0.300 1 540 52 52 GLY H H 7.741 0.030 1 541 52 52 GLY HA2 H 3.990 0.030 2 542 52 52 GLY HA3 H 3.913 0.030 2 543 52 52 GLY C C 174.463 0.300 1 544 52 52 GLY CA C 46.873 0.300 1 545 52 52 GLY N N 109.079 0.300 1 546 53 53 LEU H H 8.074 0.030 1 547 53 53 LEU HA H 4.793 0.030 1 548 53 53 LEU HB2 H 1.607 0.030 2 549 53 53 LEU HB3 H 1.239 0.030 2 550 53 53 LEU HG H 1.568 0.030 1 551 53 53 LEU HD1 H 0.772 0.030 1 552 53 53 LEU HD2 H 0.844 0.030 1 553 53 53 LEU C C 175.680 0.300 1 554 53 53 LEU CA C 53.286 0.300 1 555 53 53 LEU CB C 45.564 0.300 1 556 53 53 LEU CG C 26.653 0.300 1 557 53 53 LEU CD1 C 26.091 0.300 2 558 53 53 LEU CD2 C 23.094 0.300 2 559 53 53 LEU N N 119.489 0.300 1 560 54 54 SER H H 8.421 0.030 1 561 54 54 SER HA H 4.714 0.030 1 562 54 54 SER HB2 H 3.828 0.030 2 563 54 54 SER HB3 H 3.972 0.030 2 564 54 54 SER C C 175.739 0.300 1 565 54 54 SER CA C 56.447 0.300 1 566 54 54 SER CB C 65.180 0.300 1 567 54 54 SER N N 115.316 0.300 1 568 55 55 LEU H H 8.859 0.030 1 569 55 55 LEU HA H 3.918 0.030 1 570 55 55 LEU HB2 H 1.684 0.030 2 571 55 55 LEU HB3 H 1.620 0.030 2 572 55 55 LEU HG H 1.710 0.030 1 573 55 55 LEU HD1 H 0.924 0.030 1 574 55 55 LEU HD2 H 0.847 0.030 1 575 55 55 LEU C C 177.439 0.300 1 576 55 55 LEU CA C 57.787 0.300 1 577 55 55 LEU CB C 42.042 0.300 1 578 55 55 LEU CG C 27.234 0.300 1 579 55 55 LEU CD1 C 25.037 0.300 2 580 55 55 LEU CD2 C 24.565 0.300 2 581 55 55 LEU N N 124.333 0.300 1 582 56 56 ASP H H 8.184 0.030 1 583 56 56 ASP HA H 4.495 0.030 1 584 56 56 ASP HB2 H 2.700 0.030 1 585 56 56 ASP HB3 H 2.700 0.030 1 586 56 56 ASP C C 176.885 0.300 1 587 56 56 ASP CA C 55.179 0.300 1 588 56 56 ASP CB C 40.276 0.300 1 589 56 56 ASP N N 113.531 0.300 1 590 57 57 GLN H H 7.765 0.030 1 591 57 57 GLN HA H 4.463 0.030 1 592 57 57 GLN HB2 H 2.294 0.030 2 593 57 57 GLN HB3 H 2.189 0.030 2 594 57 57 GLN HG2 H 2.354 0.030 1 595 57 57 GLN HG3 H 2.354 0.030 1 596 57 57 GLN HE21 H 7.594 0.030 2 597 57 57 GLN HE22 H 6.870 0.030 2 598 57 57 GLN C C 175.413 0.300 1 599 57 57 GLN CA C 55.657 0.300 1 600 57 57 GLN CB C 31.269 0.300 1 601 57 57 GLN CG C 34.595 0.300 1 602 57 57 GLN N N 116.332 0.300 1 603 57 57 GLN NE2 N 111.778 0.300 1 604 58 58 VAL H H 7.171 0.030 1 605 58 58 VAL HA H 5.079 0.030 1 606 58 58 VAL HB H 2.161 0.030 1 607 58 58 VAL HG1 H 0.929 0.030 1 608 58 58 VAL HG2 H 0.909 0.030 1 609 58 58 VAL C C 174.903 0.300 1 610 58 58 VAL CA C 59.587 0.300 1 611 58 58 VAL CB C 34.874 0.300 1 612 58 58 VAL CG1 C 22.344 0.300 2 613 58 58 VAL CG2 C 18.635 0.300 2 614 58 58 VAL N N 110.423 0.300 1 615 59 59 VAL H H 8.183 0.030 1 616 59 59 VAL HA H 4.264 0.030 1 617 59 59 VAL HB H 2.037 0.030 1 618 59 59 VAL HG1 H 0.927 0.030 1 619 59 59 VAL HG2 H 0.938 0.030 1 620 59 59 VAL C C 173.610 0.300 1 621 59 59 VAL CA C 61.834 0.300 1 622 59 59 VAL CB C 35.339 0.300 1 623 59 59 VAL CG1 C 21.114 0.300 2 624 59 59 VAL CG2 C 21.377 0.300 2 625 59 59 VAL N N 119.876 0.300 1 626 60 60 LEU H H 9.226 0.030 1 627 60 60 LEU HA H 5.437 0.030 1 628 60 60 LEU HB2 H 1.217 0.030 2 629 60 60 LEU HB3 H 1.809 0.030 2 630 60 60 LEU HG H 1.549 0.030 1 631 60 60 LEU HD1 H 0.836 0.030 1 632 60 60 LEU HD2 H 0.748 0.030 1 633 60 60 LEU C C 175.307 0.300 1 634 60 60 LEU CA C 53.051 0.300 1 635 60 60 LEU CB C 45.180 0.300 1 636 60 60 LEU CG C 27.571 0.300 1 637 60 60 LEU CD1 C 25.639 0.300 2 638 60 60 LEU CD2 C 27.430 0.300 2 639 60 60 LEU N N 129.370 0.300 1 640 61 61 HIS H H 8.994 0.030 1 641 61 61 HIS HA H 5.028 0.030 1 642 61 61 HIS HB2 H 3.151 0.030 1 643 61 61 HIS HB3 H 3.151 0.030 1 644 61 61 HIS HD2 H 6.791 0.030 1 645 61 61 HIS C C 173.594 0.300 1 646 61 61 HIS CA C 54.351 0.300 1 647 61 61 HIS CB C 31.764 0.300 1 648 61 61 HIS CD2 C 121.921 0.300 1 649 61 61 HIS N N 118.413 0.300 1 650 62 62 ARG H H 9.427 0.030 1 651 62 62 ARG HA H 4.677 0.030 1 652 62 62 ARG HB2 H 1.976 0.030 2 653 62 62 ARG HB3 H 1.551 0.030 2 654 62 62 ARG HG2 H 1.852 0.030 2 655 62 62 ARG HG3 H 1.630 0.030 2 656 62 62 ARG HD2 H 3.256 0.030 1 657 62 62 ARG HD3 H 3.256 0.030 1 658 62 62 ARG C C 175.588 0.300 1 659 62 62 ARG CA C 55.564 0.300 1 660 62 62 ARG CB C 28.721 0.300 1 661 62 62 ARG CG C 29.306 0.300 1 662 62 62 ARG CD C 43.251 0.300 1 663 62 62 ARG N N 121.313 0.300 1 664 63 63 PRO HA H 4.414 0.030 1 665 63 63 PRO HB2 H 2.349 0.030 2 666 63 63 PRO HB3 H 1.976 0.030 2 667 63 63 PRO HG2 H 1.898 0.030 2 668 63 63 PRO HG3 H 2.205 0.030 2 669 63 63 PRO HD2 H 4.097 0.030 2 670 63 63 PRO HD3 H 3.797 0.030 2 671 63 63 PRO CA C 64.472 0.300 1 672 63 63 PRO CB C 31.362 0.300 1 673 63 63 PRO CG C 28.153 0.300 1 674 63 63 PRO CD C 51.073 0.300 1 675 64 64 GLY HA2 H 4.175 0.030 2 676 64 64 GLY HA3 H 3.761 0.030 2 677 64 64 GLY C C 173.588 0.300 1 678 64 64 GLY CA C 45.735 0.300 1 679 65 65 GLU H H 7.808 0.030 1 680 65 65 GLU HA H 4.624 0.030 1 681 65 65 GLU HB2 H 2.223 0.030 2 682 65 65 GLU HB3 H 2.083 0.030 2 683 65 65 GLU HG2 H 2.279 0.030 2 684 65 65 GLU HG3 H 2.247 0.030 2 685 65 65 GLU C C 176.050 0.300 1 686 65 65 GLU CA C 55.224 0.300 1 687 65 65 GLU CB C 32.501 0.300 1 688 65 65 GLU CG C 36.565 0.300 1 689 65 65 GLU N N 119.365 0.300 1 690 66 66 LYS HA H 3.985 0.030 1 691 66 66 LYS HB2 H 1.634 0.030 2 692 66 66 LYS HB3 H 1.796 0.030 2 693 66 66 LYS HG2 H 1.269 0.030 2 694 66 66 LYS HG3 H 1.363 0.030 2 695 66 66 LYS HD2 H 1.572 0.030 1 696 66 66 LYS HD3 H 1.572 0.030 1 697 66 66 LYS HE2 H 2.938 0.030 1 698 66 66 LYS HE3 H 2.938 0.030 1 699 66 66 LYS C C 176.686 0.300 1 700 66 66 LYS CA C 55.938 0.300 1 701 66 66 LYS CB C 33.449 0.300 1 702 66 66 LYS CG C 24.768 0.300 1 703 66 66 LYS CD C 28.841 0.300 1 704 66 66 LYS CE C 42.069 0.300 1 705 67 67 GLN H H 7.645 0.030 1 706 67 67 GLN HA H 4.554 0.030 1 707 67 67 GLN HB2 H 2.028 0.030 2 708 67 67 GLN HB3 H 2.082 0.030 2 709 67 67 GLN HG2 H 2.413 0.030 2 710 67 67 GLN HG3 H 2.450 0.030 2 711 67 67 GLN HE21 H 7.614 0.030 2 712 67 67 GLN HE22 H 6.932 0.030 2 713 67 67 GLN C C 173.345 0.300 1 714 67 67 GLN CA C 53.750 0.300 1 715 67 67 GLN CB C 29.077 0.300 1 716 67 67 GLN CG C 33.210 0.300 1 717 67 67 GLN N N 120.365 0.300 1 718 67 67 GLN NE2 N 112.490 0.300 1 719 68 68 PRO HA H 4.532 0.030 1 720 68 68 PRO HB2 H 2.393 0.030 2 721 68 68 PRO HB3 H 2.009 0.030 2 722 68 68 PRO HG2 H 2.129 0.030 2 723 68 68 PRO HG3 H 1.971 0.030 2 724 68 68 PRO HD2 H 3.671 0.030 2 725 68 68 PRO HD3 H 4.016 0.030 2 726 68 68 PRO C C 177.601 0.300 1 727 68 68 PRO CA C 62.575 0.300 1 728 68 68 PRO CB C 32.769 0.300 1 729 68 68 PRO CG C 27.585 0.300 1 730 68 68 PRO CD C 51.073 0.300 1 731 69 69 MET H H 8.788 0.030 1 732 69 69 MET HA H 4.353 0.030 1 733 69 69 MET HB2 H 1.829 0.030 2 734 69 69 MET HB3 H 1.685 0.030 2 735 69 69 MET HG2 H 2.410 0.030 2 736 69 69 MET HG3 H 2.473 0.030 2 737 69 69 MET HE H 1.893 0.030 1 738 69 69 MET C C 175.393 0.300 1 739 69 69 MET CA C 55.254 0.300 1 740 69 69 MET CB C 34.090 0.300 1 741 69 69 MET CG C 32.612 0.300 1 742 69 69 MET CE C 17.110 0.300 1 743 69 69 MET N N 122.953 0.300 1 744 70 70 ASP H H 8.341 0.030 1 745 70 70 ASP HA H 4.525 0.030 1 746 70 70 ASP HB2 H 2.887 0.030 2 747 70 70 ASP HB3 H 2.583 0.030 2 748 70 70 ASP C C 177.605 0.300 1 749 70 70 ASP CA C 54.082 0.300 1 750 70 70 ASP CB C 40.947 0.300 1 751 70 70 ASP N N 122.882 0.300 1 752 71 71 LEU H H 8.759 0.030 1 753 71 71 LEU HA H 4.130 0.030 1 754 71 71 LEU HB2 H 1.985 0.030 2 755 71 71 LEU HB3 H 1.365 0.030 2 756 71 71 LEU HG H 1.942 0.030 1 757 71 71 LEU HD1 H 0.941 0.030 1 758 71 71 LEU HD2 H 0.686 0.030 1 759 71 71 LEU C C 176.885 0.300 1 760 71 71 LEU CA C 55.938 0.300 1 761 71 71 LEU CB C 40.882 0.300 1 762 71 71 LEU CG C 26.840 0.300 1 763 71 71 LEU CD1 C 26.367 0.300 2 764 71 71 LEU CD2 C 24.022 0.300 2 765 71 71 LEU N N 125.608 0.300 1 766 72 72 GLU H H 8.694 0.030 1 767 72 72 GLU HA H 4.253 0.030 1 768 72 72 GLU HB2 H 2.035 0.030 2 769 72 72 GLU HB3 H 2.153 0.030 2 770 72 72 GLU HG2 H 2.391 0.030 2 771 72 72 GLU HG3 H 2.196 0.030 2 772 72 72 GLU C C 176.912 0.300 1 773 72 72 GLU CA C 56.619 0.300 1 774 72 72 GLU CB C 29.283 0.300 1 775 72 72 GLU CG C 36.565 0.300 1 776 72 72 GLU N N 117.185 0.300 1 777 73 73 ASN H H 7.392 0.030 1 778 73 73 ASN HA H 4.716 0.030 1 779 73 73 ASN HB2 H 2.626 0.030 2 780 73 73 ASN HB3 H 2.734 0.030 2 781 73 73 ASN HD21 H 7.634 0.030 2 782 73 73 ASN HD22 H 7.205 0.030 2 783 73 73 ASN C C 172.407 0.300 1 784 73 73 ASN CA C 51.773 0.300 1 785 73 73 ASN CB C 37.597 0.300 1 786 73 73 ASN N N 117.451 0.300 1 787 73 73 ASN ND2 N 111.881 0.300 1 788 74 74 PRO HA H 4.918 0.030 1 789 74 74 PRO HB2 H 2.433 0.030 2 790 74 74 PRO HB3 H 2.197 0.030 2 791 74 74 PRO HG2 H 2.014 0.030 2 792 74 74 PRO HG3 H 2.089 0.030 2 793 74 74 PRO HD2 H 3.824 0.030 2 794 74 74 PRO HD3 H 3.697 0.030 2 795 74 74 PRO C C 179.586 0.300 1 796 74 74 PRO CA C 61.843 0.300 1 797 74 74 PRO CB C 31.855 0.300 1 798 74 74 PRO CG C 27.569 0.300 1 799 74 74 PRO CD C 50.067 0.300 1 800 75 75 VAL H H 9.212 0.030 1 801 75 75 VAL HA H 3.440 0.030 1 802 75 75 VAL HB H 2.063 0.030 1 803 75 75 VAL HG1 H 0.804 0.030 1 804 75 75 VAL HG2 H 0.924 0.030 1 805 75 75 VAL C C 176.787 0.300 1 806 75 75 VAL CA C 65.154 0.300 1 807 75 75 VAL CB C 31.192 0.300 1 808 75 75 VAL CG1 C 22.031 0.300 2 809 75 75 VAL CG2 C 22.514 0.300 2 810 75 75 VAL N N 121.295 0.300 1 811 76 76 SER H H 8.320 0.030 1 812 76 76 SER HA H 3.900 0.030 1 813 76 76 SER HB2 H 4.006 0.030 2 814 76 76 SER HB3 H 3.916 0.030 2 815 76 76 SER C C 176.303 0.300 1 816 76 76 SER CA C 61.426 0.300 1 817 76 76 SER CB C 61.650 0.300 1 818 76 76 SER N N 114.101 0.300 1 819 77 77 SER H H 7.817 0.030 1 820 77 77 SER HA H 4.279 0.030 1 821 77 77 SER HB2 H 3.941 0.030 2 822 77 77 SER HB3 H 4.008 0.030 2 823 77 77 SER C C 174.856 0.300 1 824 77 77 SER CA C 61.017 0.300 1 825 77 77 SER CB C 64.411 0.300 1 826 77 77 SER N N 117.415 0.300 1 827 78 78 VAL H H 7.553 0.030 1 828 78 78 VAL HA H 4.590 0.030 1 829 78 78 VAL HB H 2.163 0.030 1 830 78 78 VAL HG1 H 0.598 0.030 1 831 78 78 VAL HG2 H 0.018 0.030 1 832 78 78 VAL C C 174.246 0.300 1 833 78 78 VAL CA C 59.650 0.300 1 834 78 78 VAL CB C 31.407 0.300 1 835 78 78 VAL CG1 C 21.832 0.300 2 836 78 78 VAL CG2 C 19.104 0.300 2 837 78 78 VAL N N 113.993 0.300 1 838 79 79 ALA H H 6.765 0.030 1 839 79 79 ALA HA H 3.947 0.030 1 840 79 79 ALA HB H 1.531 0.030 1 841 79 79 ALA C C 178.349 0.300 1 842 79 79 ALA CA C 54.463 0.300 1 843 79 79 ALA CB C 19.447 0.300 1 844 79 79 ALA N N 122.447 0.300 1 845 80 80 SER H H 9.355 0.030 1 846 80 80 SER HA H 4.351 0.030 1 847 80 80 SER HB2 H 4.193 0.030 1 848 80 80 SER HB3 H 4.193 0.030 1 849 80 80 SER C C 173.839 0.300 1 850 80 80 SER CA C 60.238 0.300 1 851 80 80 SER CB C 62.264 0.300 1 852 80 80 SER N N 114.067 0.300 1 853 81 81 GLN H H 8.290 0.030 1 854 81 81 GLN HA H 4.615 0.030 1 855 81 81 GLN HB2 H 1.984 0.030 2 856 81 81 GLN HB3 H 2.155 0.030 2 857 81 81 GLN HG2 H 2.293 0.030 1 858 81 81 GLN HG3 H 2.293 0.030 1 859 81 81 GLN HE21 H 6.665 0.030 2 860 81 81 GLN HE22 H 7.496 0.030 2 861 81 81 GLN C C 175.250 0.300 1 862 81 81 GLN CA C 55.407 0.300 1 863 81 81 GLN CB C 30.340 0.300 1 864 81 81 GLN CG C 34.072 0.300 1 865 81 81 GLN N N 119.820 0.300 1 866 81 81 GLN NE2 N 111.608 0.300 1 867 82 82 THR H H 8.210 0.030 1 868 82 82 THR HA H 5.124 0.030 1 869 82 82 THR HB H 3.971 0.030 1 870 82 82 THR HG2 H 1.128 0.030 1 871 82 82 THR C C 173.319 0.300 1 872 82 82 THR CA C 62.076 0.300 1 873 82 82 THR CB C 70.150 0.300 1 874 82 82 THR CG2 C 21.704 0.300 1 875 82 82 THR N N 116.515 0.300 1 876 83 83 LEU H H 9.015 0.030 1 877 83 83 LEU HA H 4.767 0.030 1 878 83 83 LEU HB2 H 1.735 0.030 2 879 83 83 LEU HB3 H 1.340 0.030 2 880 83 83 LEU HG H 1.641 0.030 1 881 83 83 LEU HD1 H 0.687 0.030 1 882 83 83 LEU HD2 H 0.811 0.030 1 883 83 83 LEU C C 174.266 0.300 1 884 83 83 LEU CA C 52.738 0.300 1 885 83 83 LEU CB C 45.543 0.300 1 886 83 83 LEU CG C 27.512 0.300 1 887 83 83 LEU CD1 C 26.067 0.300 2 888 83 83 LEU CD2 C 23.602 0.300 2 889 83 83 LEU N N 125.523 0.300 1 890 84 84 VAL H H 8.755 0.030 1 891 84 84 VAL HA H 4.417 0.030 1 892 84 84 VAL HB H 0.958 0.030 1 893 84 84 VAL HG1 H 0.829 0.030 1 894 84 84 VAL HG2 H 0.787 0.030 1 895 84 84 VAL C C 173.390 0.300 1 896 84 84 VAL CA C 61.881 0.300 1 897 84 84 VAL CB C 33.819 0.300 1 898 84 84 VAL CG1 C 22.368 0.300 2 899 84 84 VAL CG2 C 20.691 0.300 2 900 84 84 VAL N N 120.735 0.300 1 901 85 85 LEU H H 8.785 0.030 1 902 85 85 LEU HA H 5.165 0.030 1 903 85 85 LEU HB2 H 1.161 0.030 2 904 85 85 LEU HB3 H 2.061 0.030 2 905 85 85 LEU HG H 1.484 0.030 1 906 85 85 LEU HD1 H 0.849 0.030 1 907 85 85 LEU HD2 H 0.753 0.030 1 908 85 85 LEU C C 174.971 0.300 1 909 85 85 LEU CA C 53.306 0.300 1 910 85 85 LEU CB C 44.699 0.300 1 911 85 85 LEU CG C 27.705 0.300 1 912 85 85 LEU CD1 C 25.914 0.300 2 913 85 85 LEU CD2 C 25.998 0.300 2 914 85 85 LEU N N 127.976 0.300 1 915 86 86 ASP H H 9.214 0.030 1 916 86 86 ASP HA H 4.991 0.030 1 917 86 86 ASP HB2 H 2.632 0.030 2 918 86 86 ASP HB3 H 2.823 0.030 2 919 86 86 ASP C C 175.625 0.300 1 920 86 86 ASP CA C 53.502 0.300 1 921 86 86 ASP CB C 43.182 0.300 1 922 86 86 ASP N N 128.543 0.300 1 923 87 87 THR H H 8.331 0.030 1 924 87 87 THR HA H 4.922 0.030 1 925 87 87 THR HB H 4.238 0.030 1 926 87 87 THR HG2 H 1.170 0.030 1 927 87 87 THR C C 172.546 0.300 1 928 87 87 THR CA C 58.554 0.300 1 929 87 87 THR CB C 69.324 0.300 1 930 87 87 THR CG2 C 21.990 0.300 1 931 87 87 THR N N 112.853 0.300 1 932 88 88 PRO HA H 4.745 0.030 1 933 88 88 PRO HB2 H 2.430 0.030 2 934 88 88 PRO HB3 H 1.975 0.030 2 935 88 88 PRO HG2 H 2.089 0.030 2 936 88 88 PRO HG3 H 2.031 0.030 2 937 88 88 PRO HD2 H 3.826 0.030 2 938 88 88 PRO HD3 H 3.628 0.030 2 939 88 88 PRO CB C 31.016 0.300 1 940 88 88 PRO CG C 27.631 0.300 1 941 88 88 PRO CD C 50.738 0.300 1 942 89 89 PRO HA H 4.424 0.030 1 943 89 89 PRO HB2 H 1.957 0.030 2 944 89 89 PRO HB3 H 2.324 0.030 2 945 89 89 PRO HG2 H 2.042 0.030 1 946 89 89 PRO HG3 H 2.042 0.030 1 947 89 89 PRO HD2 H 3.856 0.030 2 948 89 89 PRO HD3 H 3.735 0.030 2 949 89 89 PRO C C 176.900 0.300 1 950 89 89 PRO CA C 63.679 0.300 1 951 89 89 PRO CB C 31.954 0.300 1 952 89 89 PRO CG C 27.173 0.300 1 953 89 89 PRO CD C 50.629 0.300 1 954 90 90 ASP H H 8.354 0.030 1 955 90 90 ASP HA H 4.542 0.030 1 956 90 90 ASP HB2 H 2.697 0.030 1 957 90 90 ASP HB3 H 2.697 0.030 1 958 90 90 ASP C C 176.411 0.300 1 959 90 90 ASP CA C 54.269 0.300 1 960 90 90 ASP CB C 40.969 0.300 1 961 90 90 ASP N N 118.615 0.300 1 962 91 91 ALA H H 8.104 0.030 1 963 91 91 ALA HA H 4.282 0.030 1 964 91 91 ALA HB H 1.418 0.030 1 965 91 91 ALA C C 177.943 0.300 1 966 91 91 ALA CA C 53.103 0.300 1 967 91 91 ALA CB C 19.219 0.300 1 968 91 91 ALA N N 124.512 0.300 1 969 92 92 LYS H H 8.266 0.030 1 970 92 92 LYS HA H 4.288 0.030 1 971 92 92 LYS HB2 H 1.821 0.030 2 972 92 92 LYS HB3 H 1.853 0.030 2 973 92 92 LYS HG2 H 1.477 0.030 2 974 92 92 LYS HG3 H 1.441 0.030 2 975 92 92 LYS HD2 H 1.702 0.030 1 976 92 92 LYS HD3 H 1.702 0.030 1 977 92 92 LYS HE2 H 3.026 0.030 1 978 92 92 LYS HE3 H 3.026 0.030 1 979 92 92 LYS C C 177.114 0.300 1 980 92 92 LYS CA C 56.624 0.300 1 981 92 92 LYS CB C 32.625 0.300 1 982 92 92 LYS CG C 24.810 0.300 1 983 92 92 LYS CD C 29.271 0.300 1 984 92 92 LYS CE C 42.096 0.300 1 985 92 92 LYS N N 119.556 0.300 1 986 93 93 MET H H 8.286 0.030 1 987 93 93 MET HA H 4.495 0.030 1 988 93 93 MET HB2 H 2.133 0.030 2 989 93 93 MET HB3 H 2.058 0.030 2 990 93 93 MET HG2 H 2.553 0.030 2 991 93 93 MET HG3 H 2.644 0.030 2 992 93 93 MET HE H 2.095 0.030 1 993 93 93 MET C C 176.629 0.300 1 994 93 93 MET CA C 55.825 0.300 1 995 93 93 MET CB C 32.665 0.300 1 996 93 93 MET CG C 32.175 0.300 1 997 93 93 MET CE C 17.053 0.300 1 998 93 93 MET N N 120.796 0.300 1 999 94 94 SER H H 8.279 0.030 1 1000 94 94 SER HA H 4.430 0.030 1 1001 94 94 SER HB2 H 3.872 0.030 2 1002 94 94 SER HB3 H 3.922 0.030 2 1003 94 94 SER C C 174.762 0.300 1 1004 94 94 SER CA C 58.760 0.300 1 1005 94 94 SER CB C 63.771 0.300 1 1006 94 94 SER N N 116.505 0.300 1 1007 95 95 GLU H H 8.379 0.030 1 1008 95 95 GLU HA H 4.291 0.030 1 1009 95 95 GLU C C 176.397 0.300 1 1010 95 95 GLU CA C 56.772 0.300 1 1011 95 95 GLU CB C 30.322 0.300 1 1012 95 95 GLU CG C 36.297 0.300 1 1013 95 95 GLU N N 122.731 0.300 1 1014 96 96 ALA H H 8.272 0.030 1 1015 96 96 ALA HA H 4.321 0.030 1 1016 96 96 ALA HB H 1.409 0.030 1 1017 96 96 ALA C C 177.875 0.300 1 1018 96 96 ALA CA C 52.751 0.300 1 1019 96 96 ALA CB C 19.080 0.300 1 1020 96 96 ALA N N 124.867 0.300 1 1021 97 97 ARG H H 8.289 0.030 1 1022 97 97 ARG HA H 4.389 0.030 1 1023 97 97 ARG HB2 H 1.765 0.030 2 1024 97 97 ARG HB3 H 1.853 0.030 2 1025 97 97 ARG HG2 H 1.646 0.030 2 1026 97 97 ARG HG3 H 1.590 0.030 2 1027 97 97 ARG HD2 H 3.205 0.030 1 1028 97 97 ARG HD3 H 3.205 0.030 1 1029 97 97 ARG C C 176.544 0.300 1 1030 97 97 ARG CA C 56.119 0.300 1 1031 97 97 ARG CB C 30.801 0.300 1 1032 97 97 ARG CG C 27.343 0.300 1 1033 97 97 ARG CD C 43.462 0.300 1 1034 97 97 ARG N N 120.226 0.300 1 1035 100 100 GLY HA2 H 4.156 0.030 1 1036 100 100 GLY HA3 H 4.156 0.030 1 1037 100 100 GLY CA C 44.683 0.300 1 1038 101 101 PRO HA H 4.497 0.030 1 1039 101 101 PRO HB2 H 2.316 0.030 2 1040 101 101 PRO HB3 H 1.993 0.030 2 1041 101 101 PRO HG2 H 2.042 0.030 1 1042 101 101 PRO HG3 H 2.042 0.030 1 1043 101 101 PRO HD2 H 3.649 0.030 1 1044 101 101 PRO HD3 H 3.649 0.030 1 1045 101 101 PRO CA C 63.301 0.300 1 1046 101 101 PRO CB C 32.212 0.300 1 1047 101 101 PRO CG C 27.174 0.300 1 1048 101 101 PRO CD C 49.828 0.300 1 1049 102 102 SER H H 8.189 0.030 1 stop_ save_