data_11185 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the third SH3 domain of human RIM-binding protein 2 ; _BMRB_accession_number 11185 _BMRB_flat_file_name bmr11185.str _Entry_type original _Submission_date 2010-07-21 _Accession_date 2010-07-23 _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 Inoue K. . . 2 Hayashi F. . . 3 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" 388 "13C chemical shifts" 298 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the third SH3 domain of human RIM-binding protein 2' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Inoue K. . . 2 Hayashi F. . . 3 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 'RIM binding protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 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 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; GSSGSSGRRMVALYDYDPRE SSPNVDVEAELTFCTGDIIT VFGEIDEDGFYYGELNGQKG LVPSNFLEEVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 ARG 10 MET 11 VAL 12 ALA 13 LEU 14 TYR 15 ASP 16 TYR 17 ASP 18 PRO 19 ARG 20 GLU 21 SER 22 SER 23 PRO 24 ASN 25 VAL 26 ASP 27 VAL 28 GLU 29 ALA 30 GLU 31 LEU 32 THR 33 PHE 34 CYS 35 THR 36 GLY 37 ASP 38 ILE 39 ILE 40 THR 41 VAL 42 PHE 43 GLY 44 GLU 45 ILE 46 ASP 47 GLU 48 ASP 49 GLY 50 PHE 51 TYR 52 TYR 53 GLY 54 GLU 55 LEU 56 ASN 57 GLY 58 GLN 59 LYS 60 GLY 61 LEU 62 VAL 63 PRO 64 SER 65 ASN 66 PHE 67 LEU 68 GLU 69 GLU 70 VAL 71 SER 72 GLY 73 PRO 74 SER 75 SER 76 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 2CSI "Solution Structure Of The Third Sh3 Domain Of Human Rim- Binding Protein 2" 100.00 76 100.00 100.00 1.00e-45 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' 'E. coli' Escherichia coli . plasmid P040705-06 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.08mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.08 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9296 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 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 Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 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_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ 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 'SH3 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 4.606 0.030 1 2 6 6 SER HB2 H 3.964 0.030 1 3 6 6 SER HB3 H 3.964 0.030 1 4 6 6 SER C C 174.597 0.300 1 5 6 6 SER CA C 58.635 0.300 1 6 6 6 SER CB C 63.963 0.300 1 7 7 7 GLY H H 8.359 0.030 1 8 7 7 GLY HA2 H 3.887 0.030 2 9 7 7 GLY HA3 H 3.158 0.030 2 10 7 7 GLY C C 173.006 0.300 1 11 7 7 GLY CA C 45.169 0.300 1 12 7 7 GLY N N 110.721 0.300 1 13 8 8 ARG H H 8.484 0.030 1 14 8 8 ARG HA H 4.548 0.030 1 15 8 8 ARG HB2 H 1.579 0.030 2 16 8 8 ARG HB3 H 1.477 0.030 2 17 8 8 ARG HD2 H 3.079 0.030 1 18 8 8 ARG HD3 H 3.079 0.030 1 19 8 8 ARG HE H 7.227 0.030 1 20 8 8 ARG HG2 H 1.462 0.030 1 21 8 8 ARG HG3 H 1.462 0.030 1 22 8 8 ARG C C 174.764 0.300 1 23 8 8 ARG CA C 54.742 0.300 1 24 8 8 ARG CB C 33.028 0.300 1 25 8 8 ARG CD C 43.869 0.300 1 26 8 8 ARG CG C 26.872 0.300 1 27 8 8 ARG N N 121.598 0.300 1 28 8 8 ARG NE N 124.467 0.300 1 29 9 9 ARG H H 8.602 0.030 1 30 9 9 ARG HA H 4.350 0.030 1 31 9 9 ARG HB2 H 1.680 0.030 2 32 9 9 ARG HB3 H 1.452 0.030 2 33 9 9 ARG HD2 H 3.108 0.030 1 34 9 9 ARG HD3 H 3.108 0.030 1 35 9 9 ARG HG2 H 1.425 0.030 2 36 9 9 ARG HG3 H 1.591 0.030 2 37 9 9 ARG C C 174.922 0.300 1 38 9 9 ARG CA C 57.077 0.300 1 39 9 9 ARG CB C 31.007 0.300 1 40 9 9 ARG CD C 43.601 0.300 1 41 9 9 ARG CG C 28.143 0.300 1 42 9 9 ARG N N 124.113 0.300 1 43 10 10 MET H H 8.885 0.030 1 44 10 10 MET HA H 4.988 0.030 1 45 10 10 MET HB2 H 1.685 0.030 2 46 10 10 MET HB3 H 1.634 0.030 2 47 10 10 MET HE H 1.705 0.030 1 48 10 10 MET HG2 H 1.964 0.030 2 49 10 10 MET HG3 H 2.255 0.030 2 50 10 10 MET C C 173.328 0.300 1 51 10 10 MET CA C 53.328 0.300 1 52 10 10 MET CB C 36.800 0.300 1 53 10 10 MET CE C 18.380 0.300 1 54 10 10 MET CG C 33.496 0.300 1 55 10 10 MET N N 122.644 0.300 1 56 11 11 VAL H H 9.351 0.030 1 57 11 11 VAL HA H 5.016 0.030 1 58 11 11 VAL HB H 1.729 0.030 1 59 11 11 VAL HG1 H 0.805 0.030 1 60 11 11 VAL HG2 H 0.854 0.030 1 61 11 11 VAL C C 174.299 0.300 1 62 11 11 VAL CA C 58.699 0.300 1 63 11 11 VAL CB C 34.419 0.300 1 64 11 11 VAL CG1 C 19.700 0.300 2 65 11 11 VAL CG2 C 22.197 0.300 2 66 11 11 VAL N N 120.586 0.300 1 67 12 12 ALA H H 8.574 0.030 1 68 12 12 ALA HA H 4.707 0.030 1 69 12 12 ALA HB H 1.578 0.030 1 70 12 12 ALA C C 179.912 0.300 1 71 12 12 ALA CA C 51.863 0.300 1 72 12 12 ALA CB C 20.726 0.300 1 73 12 12 ALA N N 127.366 0.300 1 74 13 13 LEU H H 9.334 0.030 1 75 13 13 LEU HA H 3.956 0.030 1 76 13 13 LEU HB2 H 0.585 0.030 2 77 13 13 LEU HB3 H 0.963 0.030 2 78 13 13 LEU HD1 H 0.618 0.030 1 79 13 13 LEU HD2 H 0.664 0.030 1 80 13 13 LEU HG H 1.347 0.030 1 81 13 13 LEU C C 175.319 0.300 1 82 13 13 LEU CA C 55.678 0.300 1 83 13 13 LEU CB C 43.888 0.300 1 84 13 13 LEU CD1 C 22.094 0.300 2 85 13 13 LEU CD2 C 25.396 0.300 2 86 13 13 LEU CG C 26.804 0.300 1 87 13 13 LEU N N 125.959 0.300 1 88 14 14 TYR H H 7.210 0.030 1 89 14 14 TYR HA H 4.905 0.030 1 90 14 14 TYR HB2 H 3.260 0.030 2 91 14 14 TYR HB3 H 2.450 0.030 2 92 14 14 TYR HD1 H 6.699 0.030 1 93 14 14 TYR HD2 H 6.699 0.030 1 94 14 14 TYR HE1 H 6.654 0.030 1 95 14 14 TYR HE2 H 6.654 0.030 1 96 14 14 TYR C C 173.870 0.300 1 97 14 14 TYR CA C 54.374 0.300 1 98 14 14 TYR CB C 42.321 0.300 1 99 14 14 TYR CD1 C 133.910 0.300 1 100 14 14 TYR CD2 C 133.910 0.300 1 101 14 14 TYR CE1 C 117.530 0.300 1 102 14 14 TYR CE2 C 117.530 0.300 1 103 14 14 TYR N N 112.750 0.300 1 104 15 15 ASP H H 8.128 0.030 1 105 15 15 ASP HA H 4.633 0.030 1 106 15 15 ASP HB2 H 2.822 0.030 2 107 15 15 ASP HB3 H 2.634 0.030 2 108 15 15 ASP C C 175.722 0.300 1 109 15 15 ASP CA C 54.187 0.300 1 110 15 15 ASP CB C 41.419 0.300 1 111 15 15 ASP N N 116.868 0.300 1 112 16 16 TYR H H 8.166 0.030 1 113 16 16 TYR HA H 4.409 0.030 1 114 16 16 TYR HB2 H 1.956 0.030 2 115 16 16 TYR HB3 H 0.963 0.030 2 116 16 16 TYR HD1 H 6.811 0.030 1 117 16 16 TYR HD2 H 6.811 0.030 1 118 16 16 TYR HE1 H 6.742 0.030 1 119 16 16 TYR HE2 H 6.742 0.030 1 120 16 16 TYR C C 172.533 0.300 1 121 16 16 TYR CA C 58.080 0.300 1 122 16 16 TYR CB C 41.549 0.300 1 123 16 16 TYR CD1 C 133.305 0.300 1 124 16 16 TYR CD2 C 133.305 0.300 1 125 16 16 TYR CE1 C 117.377 0.300 1 126 16 16 TYR CE2 C 117.377 0.300 1 127 16 16 TYR N N 121.376 0.300 1 128 17 17 ASP H H 7.855 0.030 1 129 17 17 ASP HA H 4.900 0.030 1 130 17 17 ASP HB2 H 2.392 0.030 2 131 17 17 ASP HB3 H 2.674 0.030 2 132 17 17 ASP C C 174.563 0.300 1 133 17 17 ASP CA C 49.572 0.300 1 134 17 17 ASP CB C 41.933 0.300 1 135 17 17 ASP N N 125.647 0.300 1 136 18 18 PRO HA H 3.763 0.030 1 137 18 18 PRO HB2 H 1.795 0.030 2 138 18 18 PRO HB3 H 2.397 0.030 2 139 18 18 PRO HD2 H 3.225 0.030 2 140 18 18 PRO HD3 H 3.912 0.030 2 141 18 18 PRO HG2 H 1.726 0.030 2 142 18 18 PRO HG3 H 1.902 0.030 2 143 18 18 PRO C C 177.850 0.300 1 144 18 18 PRO CA C 63.676 0.300 1 145 18 18 PRO CB C 32.427 0.300 1 146 18 18 PRO CD C 51.370 0.300 1 147 18 18 PRO CG C 26.872 0.300 1 148 19 19 ARG H H 7.960 0.030 1 149 19 19 ARG HA H 3.935 0.030 1 150 19 19 ARG HB2 H 1.808 0.030 1 151 19 19 ARG HB3 H 1.808 0.030 1 152 19 19 ARG HD2 H 3.170 0.030 2 153 19 19 ARG HD3 H 3.219 0.030 2 154 19 19 ARG HE H 7.542 0.030 1 155 19 19 ARG HG2 H 1.626 0.030 1 156 19 19 ARG HG3 H 1.626 0.030 1 157 19 19 ARG C C 177.499 0.300 1 158 19 19 ARG CA C 58.226 0.300 1 159 19 19 ARG CB C 29.786 0.300 1 160 19 19 ARG CD C 43.263 0.300 1 161 19 19 ARG CG C 27.416 0.300 1 162 19 19 ARG N N 116.587 0.300 1 163 19 19 ARG NE N 124.732 0.300 1 164 20 20 GLU H H 7.489 0.030 1 165 20 20 GLU HA H 4.262 0.030 1 166 20 20 GLU HB2 H 2.057 0.030 2 167 20 20 GLU HB3 H 1.901 0.030 2 168 20 20 GLU HG2 H 2.121 0.030 2 169 20 20 GLU HG3 H 2.228 0.030 2 170 20 20 GLU C C 177.949 0.300 1 171 20 20 GLU CA C 56.980 0.300 1 172 20 20 GLU CB C 30.827 0.300 1 173 20 20 GLU CG C 35.894 0.300 1 174 20 20 GLU N N 116.466 0.300 1 175 21 21 SER H H 7.731 0.030 1 176 21 21 SER HA H 4.578 0.030 1 177 21 21 SER HB2 H 3.989 0.030 2 178 21 21 SER HB3 H 3.584 0.030 2 179 21 21 SER C C 174.200 0.300 1 180 21 21 SER CA C 59.263 0.300 1 181 21 21 SER CB C 64.964 0.300 1 182 21 21 SER N N 112.569 0.300 1 183 22 22 SER H H 8.170 0.030 1 184 22 22 SER HA H 4.971 0.030 1 185 22 22 SER HB2 H 3.832 0.030 2 186 22 22 SER HB3 H 4.105 0.030 2 187 22 22 SER C C 174.480 0.300 1 188 22 22 SER CA C 56.290 0.300 1 189 22 22 SER CB C 64.218 0.300 1 190 22 22 SER N N 117.541 0.300 1 191 23 23 PRO HA H 4.578 0.030 1 192 23 23 PRO HB2 H 2.261 0.030 2 193 23 23 PRO HB3 H 2.015 0.030 2 194 23 23 PRO HD2 H 3.833 0.030 2 195 23 23 PRO HD3 H 4.014 0.030 2 196 23 23 PRO HG2 H 1.933 0.030 2 197 23 23 PRO HG3 H 2.091 0.030 2 198 23 23 PRO C C 176.768 0.300 1 199 23 23 PRO CA C 63.498 0.300 1 200 23 23 PRO CB C 32.074 0.300 1 201 23 23 PRO CD C 50.881 0.300 1 202 23 23 PRO CG C 26.668 0.300 1 203 24 24 ASN H H 8.553 0.030 1 204 24 24 ASN HA H 4.730 0.030 1 205 24 24 ASN HB2 H 2.803 0.030 2 206 24 24 ASN HB3 H 2.664 0.030 2 207 24 24 ASN HD21 H 6.707 0.030 2 208 24 24 ASN HD22 H 7.712 0.030 2 209 24 24 ASN C C 174.778 0.300 1 210 24 24 ASN CA C 53.071 0.300 1 211 24 24 ASN CB C 39.387 0.300 1 212 24 24 ASN N N 118.753 0.300 1 213 24 24 ASN ND2 N 113.794 0.300 1 214 25 25 VAL H H 7.899 0.030 1 215 25 25 VAL HA H 4.014 0.030 1 216 25 25 VAL HB H 2.047 0.030 1 217 25 25 VAL HG1 H 0.939 0.030 1 218 25 25 VAL HG2 H 0.927 0.030 1 219 25 25 VAL C C 176.184 0.300 1 220 25 25 VAL CA C 63.235 0.300 1 221 25 25 VAL CB C 32.682 0.300 1 222 25 25 VAL CG1 C 20.866 0.300 2 223 25 25 VAL CG2 C 21.139 0.300 2 224 25 25 VAL N N 118.227 0.300 1 225 26 26 ASP H H 8.263 0.030 1 226 26 26 ASP HA H 4.749 0.030 1 227 26 26 ASP HB2 H 2.794 0.030 2 228 26 26 ASP HB3 H 2.539 0.030 2 229 26 26 ASP C C 176.720 0.300 1 230 26 26 ASP CA C 53.658 0.300 1 231 26 26 ASP CB C 40.553 0.300 1 232 26 26 ASP N N 121.776 0.300 1 233 27 27 VAL H H 7.987 0.030 1 234 27 27 VAL HA H 4.104 0.030 1 235 27 27 VAL HB H 2.131 0.030 1 236 27 27 VAL HG1 H 0.834 0.030 1 237 27 27 VAL HG2 H 0.864 0.030 1 238 27 27 VAL C C 176.819 0.300 1 239 27 27 VAL CA C 62.536 0.300 1 240 27 27 VAL CB C 32.238 0.300 1 241 27 27 VAL CG1 C 19.547 0.300 2 242 27 27 VAL CG2 C 21.657 0.300 2 243 27 27 VAL N N 118.976 0.300 1 244 28 28 GLU H H 8.363 0.030 1 245 28 28 GLU HA H 4.198 0.030 1 246 28 28 GLU HB2 H 2.010 0.030 2 247 28 28 GLU HB3 H 2.104 0.030 2 248 28 28 GLU HG2 H 2.335 0.030 2 249 28 28 GLU HG3 H 2.309 0.030 2 250 28 28 GLU C C 176.531 0.300 1 251 28 28 GLU CA C 57.739 0.300 1 252 28 28 GLU CB C 29.532 0.300 1 253 28 28 GLU CG C 36.598 0.300 1 254 28 28 GLU N N 121.440 0.300 1 255 29 29 ALA H H 8.010 0.030 1 256 29 29 ALA HA H 4.410 0.030 1 257 29 29 ALA HB H 1.465 0.030 1 258 29 29 ALA C C 177.695 0.300 1 259 29 29 ALA CA C 52.587 0.300 1 260 29 29 ALA CB C 19.816 0.300 1 261 29 29 ALA N N 121.006 0.300 1 262 30 30 GLU H H 7.792 0.030 1 263 30 30 GLU HA H 4.884 0.030 1 264 30 30 GLU HB2 H 1.928 0.030 2 265 30 30 GLU HB3 H 2.461 0.030 2 266 30 30 GLU HG2 H 2.006 0.030 2 267 30 30 GLU HG3 H 2.123 0.030 2 268 30 30 GLU C C 176.301 0.300 1 269 30 30 GLU CA C 55.744 0.300 1 270 30 30 GLU CB C 32.899 0.300 1 271 30 30 GLU CG C 37.060 0.300 1 272 30 30 GLU N N 118.497 0.300 1 273 31 31 LEU H H 8.314 0.030 1 274 31 31 LEU HA H 4.416 0.030 1 275 31 31 LEU HB2 H 1.535 0.030 2 276 31 31 LEU HB3 H 1.593 0.030 2 277 31 31 LEU HD1 H 0.647 0.030 1 278 31 31 LEU HD2 H 0.690 0.030 1 279 31 31 LEU HG H 1.345 0.030 1 280 31 31 LEU C C 174.770 0.300 1 281 31 31 LEU CA C 54.683 0.300 1 282 31 31 LEU CB C 43.584 0.300 1 283 31 31 LEU CD1 C 25.171 0.300 2 284 31 31 LEU CD2 C 23.063 0.300 2 285 31 31 LEU CG C 27.000 0.300 1 286 31 31 LEU N N 121.468 0.300 1 287 32 32 THR H H 7.627 0.030 1 288 32 32 THR HA H 4.662 0.030 1 289 32 32 THR HB H 3.986 0.030 1 290 32 32 THR HG2 H 1.248 0.030 1 291 32 32 THR C C 174.170 0.300 1 292 32 32 THR CA C 61.516 0.300 1 293 32 32 THR CB C 70.483 0.300 1 294 32 32 THR CG2 C 20.997 0.300 1 295 32 32 THR N N 114.291 0.300 1 296 33 33 PHE H H 8.304 0.030 1 297 33 33 PHE HA H 5.036 0.030 1 298 33 33 PHE HB2 H 3.165 0.030 2 299 33 33 PHE HB3 H 3.414 0.030 2 300 33 33 PHE HD1 H 6.914 0.030 1 301 33 33 PHE HD2 H 6.914 0.030 1 302 33 33 PHE HE1 H 7.467 0.030 1 303 33 33 PHE HE2 H 7.467 0.030 1 304 33 33 PHE HZ H 6.728 0.030 1 305 33 33 PHE C C 174.090 0.300 1 306 33 33 PHE CA C 56.529 0.300 1 307 33 33 PHE CB C 40.750 0.300 1 308 33 33 PHE CD1 C 132.955 0.300 1 309 33 33 PHE CD2 C 132.955 0.300 1 310 33 33 PHE CE1 C 131.643 0.300 1 311 33 33 PHE CE2 C 131.643 0.300 1 312 33 33 PHE CZ C 128.729 0.300 1 313 33 33 PHE N N 119.433 0.300 1 314 34 34 CYS H H 9.767 0.030 1 315 34 34 CYS HA H 5.099 0.030 1 316 34 34 CYS HB2 H 2.715 0.030 2 317 34 34 CYS HB3 H 3.035 0.030 2 318 34 34 CYS C C 173.353 0.300 1 319 34 34 CYS CA C 57.276 0.300 1 320 34 34 CYS CB C 31.980 0.300 1 321 34 34 CYS N N 120.293 0.300 1 322 35 35 THR H H 9.064 0.030 1 323 35 35 THR HA H 3.248 0.030 1 324 35 35 THR HB H 3.885 0.030 1 325 35 35 THR HG2 H 1.031 0.030 1 326 35 35 THR C C 175.622 0.300 1 327 35 35 THR CA C 65.768 0.300 1 328 35 35 THR CB C 69.332 0.300 1 329 35 35 THR CG2 C 21.216 0.300 1 330 35 35 THR N N 118.347 0.300 1 331 36 36 GLY H H 9.125 0.030 1 332 36 36 GLY HA2 H 4.387 0.030 2 333 36 36 GLY HA3 H 3.422 0.030 2 334 36 36 GLY C C 174.384 0.300 1 335 36 36 GLY CA C 44.976 0.300 1 336 36 36 GLY N N 115.910 0.300 1 337 37 37 ASP H H 8.460 0.030 1 338 37 37 ASP HA H 4.562 0.030 1 339 37 37 ASP HB2 H 2.897 0.030 2 340 37 37 ASP HB3 H 2.428 0.030 2 341 37 37 ASP C C 174.893 0.300 1 342 37 37 ASP CA C 55.943 0.300 1 343 37 37 ASP CB C 41.567 0.300 1 344 37 37 ASP N N 122.903 0.300 1 345 38 38 ILE H H 8.149 0.030 1 346 38 38 ILE HA H 4.835 0.030 1 347 38 38 ILE HB H 1.857 0.030 1 348 38 38 ILE HD1 H 0.757 0.030 1 349 38 38 ILE HG12 H 1.234 0.030 2 350 38 38 ILE HG13 H 1.576 0.030 2 351 38 38 ILE HG2 H 0.712 0.030 1 352 38 38 ILE C C 175.571 0.300 1 353 38 38 ILE CA C 59.077 0.300 1 354 38 38 ILE CB C 36.829 0.300 1 355 38 38 ILE CD1 C 11.456 0.300 1 356 38 38 ILE CG1 C 26.938 0.300 1 357 38 38 ILE CG2 C 17.198 0.300 1 358 38 38 ILE N N 119.959 0.300 1 359 39 39 ILE H H 9.010 0.030 1 360 39 39 ILE HA H 4.186 0.030 1 361 39 39 ILE HB H 1.156 0.030 1 362 39 39 ILE HD1 H 0.083 0.030 1 363 39 39 ILE HG12 H 0.737 0.030 2 364 39 39 ILE HG13 H 1.153 0.030 2 365 39 39 ILE HG2 H 0.468 0.030 1 366 39 39 ILE C C 175.204 0.300 1 367 39 39 ILE CA C 59.844 0.300 1 368 39 39 ILE CB C 41.464 0.300 1 369 39 39 ILE CD1 C 13.938 0.300 1 370 39 39 ILE CG1 C 29.483 0.300 1 371 39 39 ILE CG2 C 17.877 0.300 1 372 39 39 ILE N N 131.046 0.300 1 373 40 40 THR H H 8.271 0.030 1 374 40 40 THR HA H 4.612 0.030 1 375 40 40 THR HB H 3.915 0.030 1 376 40 40 THR HG2 H 0.617 0.030 1 377 40 40 THR C C 173.527 0.300 1 378 40 40 THR CA C 62.176 0.300 1 379 40 40 THR CB C 69.038 0.300 1 380 40 40 THR CG2 C 21.907 0.300 1 381 40 40 THR N N 124.229 0.300 1 382 41 41 VAL H H 8.726 0.030 1 383 41 41 VAL HA H 4.972 0.030 1 384 41 41 VAL HB H 1.525 0.030 1 385 41 41 VAL HG1 H 0.138 0.030 1 386 41 41 VAL HG2 H 0.208 0.030 1 387 41 41 VAL C C 174.983 0.300 1 388 41 41 VAL CA C 58.973 0.300 1 389 41 41 VAL CB C 33.877 0.300 1 390 41 41 VAL CG1 C 18.770 0.300 2 391 41 41 VAL CG2 C 21.189 0.300 2 392 41 41 VAL N N 119.684 0.300 1 393 42 42 PHE H H 8.514 0.030 1 394 42 42 PHE HA H 4.895 0.030 1 395 42 42 PHE HB2 H 2.898 0.030 2 396 42 42 PHE HB3 H 3.198 0.030 2 397 42 42 PHE HD1 H 7.140 0.030 1 398 42 42 PHE HD2 H 7.140 0.030 1 399 42 42 PHE HE1 H 7.097 0.030 1 400 42 42 PHE HE2 H 7.097 0.030 1 401 42 42 PHE HZ H 7.221 0.030 1 402 42 42 PHE C C 176.324 0.300 1 403 42 42 PHE CA C 56.580 0.300 1 404 42 42 PHE CB C 41.760 0.300 1 405 42 42 PHE CD1 C 132.019 0.300 1 406 42 42 PHE CD2 C 132.019 0.300 1 407 42 42 PHE CE1 C 131.097 0.300 1 408 42 42 PHE CE2 C 131.097 0.300 1 409 42 42 PHE CZ C 129.843 0.300 1 410 42 42 PHE N N 120.189 0.300 1 411 43 43 GLY H H 8.744 0.030 1 412 43 43 GLY HA2 H 4.002 0.030 2 413 43 43 GLY HA3 H 4.290 0.030 2 414 43 43 GLY C C 173.225 0.300 1 415 43 43 GLY CA C 45.482 0.300 1 416 43 43 GLY N N 111.278 0.300 1 417 44 44 GLU H H 8.432 0.030 1 418 44 44 GLU HA H 4.734 0.030 1 419 44 44 GLU HB2 H 1.853 0.030 2 420 44 44 GLU HB3 H 2.197 0.030 2 421 44 44 GLU HG2 H 2.389 0.030 2 422 44 44 GLU HG3 H 2.325 0.030 2 423 44 44 GLU C C 176.933 0.300 1 424 44 44 GLU CA C 54.659 0.300 1 425 44 44 GLU CB C 32.157 0.300 1 426 44 44 GLU CG C 36.155 0.300 1 427 44 44 GLU N N 118.857 0.300 1 428 45 45 ILE H H 8.339 0.030 1 429 45 45 ILE HA H 3.569 0.030 1 430 45 45 ILE HB H 1.367 0.030 1 431 45 45 ILE HD1 H 0.707 0.030 1 432 45 45 ILE HG12 H 1.095 0.030 2 433 45 45 ILE HG13 H 0.139 0.030 2 434 45 45 ILE HG2 H 0.634 0.030 1 435 45 45 ILE C C 176.257 0.300 1 436 45 45 ILE CA C 62.410 0.300 1 437 45 45 ILE CB C 38.744 0.300 1 438 45 45 ILE CD1 C 14.008 0.300 1 439 45 45 ILE CG1 C 28.034 0.300 1 440 45 45 ILE CG2 C 17.040 0.300 1 441 45 45 ILE N N 122.654 0.300 1 442 46 46 ASP H H 8.812 0.030 1 443 46 46 ASP HA H 4.663 0.030 1 444 46 46 ASP HB2 H 2.888 0.030 2 445 46 46 ASP HB3 H 3.330 0.030 2 446 46 46 ASP C C 178.607 0.300 1 447 46 46 ASP CA C 52.962 0.300 1 448 46 46 ASP CB C 41.293 0.300 1 449 46 46 ASP N N 127.118 0.300 1 450 47 47 GLU H H 8.696 0.030 1 451 47 47 GLU HA H 4.053 0.030 1 452 47 47 GLU HB2 H 2.035 0.030 2 453 47 47 GLU HB3 H 2.074 0.030 2 454 47 47 GLU HG2 H 2.324 0.030 1 455 47 47 GLU HG3 H 2.324 0.030 1 456 47 47 GLU C C 176.859 0.300 1 457 47 47 GLU CA C 58.795 0.300 1 458 47 47 GLU CB C 29.497 0.300 1 459 47 47 GLU CG C 36.354 0.300 1 460 47 47 GLU N N 116.619 0.300 1 461 48 48 ASP H H 8.367 0.030 1 462 48 48 ASP HA H 4.886 0.030 1 463 48 48 ASP HB2 H 2.849 0.030 2 464 48 48 ASP HB3 H 3.054 0.030 2 465 48 48 ASP C C 175.889 0.300 1 466 48 48 ASP CA C 54.181 0.300 1 467 48 48 ASP CB C 42.529 0.300 1 468 48 48 ASP N N 118.255 0.300 1 469 49 49 GLY H H 8.051 0.030 1 470 49 49 GLY HA2 H 4.088 0.030 2 471 49 49 GLY HA3 H 3.439 0.030 2 472 49 49 GLY C C 174.405 0.300 1 473 49 49 GLY CA C 45.634 0.300 1 474 49 49 GLY N N 107.493 0.300 1 475 50 50 PHE H H 9.087 0.030 1 476 50 50 PHE HA H 5.024 0.030 1 477 50 50 PHE HB2 H 3.528 0.030 2 478 50 50 PHE HB3 H 2.818 0.030 2 479 50 50 PHE HD1 H 7.040 0.030 1 480 50 50 PHE HD2 H 7.040 0.030 1 481 50 50 PHE HE1 H 7.235 0.030 1 482 50 50 PHE HE2 H 7.235 0.030 1 483 50 50 PHE HZ H 7.229 0.030 1 484 50 50 PHE C C 176.840 0.300 1 485 50 50 PHE CA C 58.020 0.300 1 486 50 50 PHE CB C 41.024 0.300 1 487 50 50 PHE CD1 C 132.068 0.300 1 488 50 50 PHE CD2 C 132.068 0.300 1 489 50 50 PHE CE1 C 130.765 0.300 1 490 50 50 PHE CE2 C 130.765 0.300 1 491 50 50 PHE CZ C 130.771 0.300 1 492 50 50 PHE N N 123.148 0.300 1 493 51 51 TYR H H 9.162 0.030 1 494 51 51 TYR HA H 4.984 0.030 1 495 51 51 TYR HB2 H 3.014 0.030 2 496 51 51 TYR HB3 H 2.369 0.030 2 497 51 51 TYR HD1 H 6.816 0.030 1 498 51 51 TYR HD2 H 6.816 0.030 1 499 51 51 TYR HE1 H 6.699 0.030 1 500 51 51 TYR HE2 H 6.699 0.030 1 501 51 51 TYR C C 175.894 0.300 1 502 51 51 TYR CA C 57.358 0.300 1 503 51 51 TYR CB C 42.514 0.300 1 504 51 51 TYR CD1 C 132.619 0.300 1 505 51 51 TYR CD2 C 132.619 0.300 1 506 51 51 TYR CE1 C 118.122 0.300 1 507 51 51 TYR CE2 C 118.122 0.300 1 508 51 51 TYR N N 117.640 0.300 1 509 52 52 TYR H H 9.062 0.030 1 510 52 52 TYR HA H 4.909 0.030 1 511 52 52 TYR HB2 H 3.172 0.030 2 512 52 52 TYR HB3 H 3.085 0.030 2 513 52 52 TYR HD1 H 7.111 0.030 1 514 52 52 TYR HD2 H 7.111 0.030 1 515 52 52 TYR HE1 H 6.690 0.030 1 516 52 52 TYR HE2 H 6.690 0.030 1 517 52 52 TYR C C 174.732 0.300 1 518 52 52 TYR CA C 58.418 0.300 1 519 52 52 TYR CB C 39.268 0.300 1 520 52 52 TYR CD1 C 132.859 0.300 1 521 52 52 TYR CD2 C 132.859 0.300 1 522 52 52 TYR CE1 C 117.866 0.300 1 523 52 52 TYR CE2 C 117.866 0.300 1 524 52 52 TYR N N 122.276 0.300 1 525 53 53 GLY H H 8.896 0.030 1 526 53 53 GLY HA2 H 5.192 0.030 2 527 53 53 GLY HA3 H 3.216 0.030 2 528 53 53 GLY C C 170.689 0.300 1 529 53 53 GLY CA C 45.276 0.300 1 530 53 53 GLY N N 113.834 0.300 1 531 54 54 GLU H H 8.762 0.030 1 532 54 54 GLU HA H 5.337 0.030 1 533 54 54 GLU HB2 H 1.856 0.030 2 534 54 54 GLU HB3 H 2.029 0.030 2 535 54 54 GLU HG2 H 2.104 0.030 1 536 54 54 GLU HG3 H 2.104 0.030 1 537 54 54 GLU C C 174.705 0.300 1 538 54 54 GLU CA C 54.483 0.300 1 539 54 54 GLU CB C 34.300 0.300 1 540 54 54 GLU CG C 36.498 0.300 1 541 54 54 GLU N N 116.997 0.300 1 542 55 55 LEU H H 8.709 0.030 1 543 55 55 LEU HA H 4.636 0.030 1 544 55 55 LEU HB2 H 1.793 0.030 2 545 55 55 LEU HB3 H 1.371 0.030 2 546 55 55 LEU HD1 H 0.941 0.030 1 547 55 55 LEU HD2 H 1.051 0.030 1 548 55 55 LEU HG H 1.499 0.030 1 549 55 55 LEU C C 175.942 0.300 1 550 55 55 LEU CA C 54.601 0.300 1 551 55 55 LEU CB C 45.876 0.300 1 552 55 55 LEU CD1 C 23.314 0.300 2 553 55 55 LEU CD2 C 26.933 0.300 2 554 55 55 LEU CG C 27.809 0.300 1 555 55 55 LEU N N 125.146 0.300 1 556 56 56 ASN H H 9.807 0.030 1 557 56 56 ASN HA H 4.457 0.030 1 558 56 56 ASN HB2 H 2.846 0.030 2 559 56 56 ASN HB3 H 3.099 0.030 2 560 56 56 ASN HD21 H 7.140 0.030 2 561 56 56 ASN HD22 H 7.847 0.030 2 562 56 56 ASN C C 175.218 0.300 1 563 56 56 ASN CA C 54.443 0.300 1 564 56 56 ASN CB C 37.495 0.300 1 565 56 56 ASN N N 127.874 0.300 1 566 56 56 ASN ND2 N 114.190 0.300 1 567 57 57 GLY H H 8.982 0.030 1 568 57 57 GLY HA2 H 4.227 0.030 2 569 57 57 GLY HA3 H 3.675 0.030 2 570 57 57 GLY C C 173.899 0.300 1 571 57 57 GLY CA C 45.574 0.300 1 572 57 57 GLY N N 105.005 0.300 1 573 58 58 GLN H H 8.009 0.030 1 574 58 58 GLN HA H 4.613 0.030 1 575 58 58 GLN HB2 H 2.170 0.030 2 576 58 58 GLN HB3 H 2.114 0.030 2 577 58 58 GLN HE21 H 7.001 0.030 2 578 58 58 GLN HE22 H 7.594 0.030 2 579 58 58 GLN HG2 H 2.343 0.030 2 580 58 58 GLN HG3 H 2.449 0.030 2 581 58 58 GLN C C 174.470 0.300 1 582 58 58 GLN CA C 54.424 0.300 1 583 58 58 GLN CB C 30.897 0.300 1 584 58 58 GLN CG C 34.099 0.300 1 585 58 58 GLN N N 121.094 0.300 1 586 58 58 GLN NE2 N 112.287 0.300 1 587 59 59 LYS H H 8.479 0.030 1 588 59 59 LYS HA H 5.511 0.030 1 589 59 59 LYS HB2 H 1.711 0.030 2 590 59 59 LYS HB3 H 1.764 0.030 2 591 59 59 LYS HD2 H 1.637 0.030 1 592 59 59 LYS HD3 H 1.637 0.030 1 593 59 59 LYS HE2 H 2.859 0.030 1 594 59 59 LYS HE3 H 2.859 0.030 1 595 59 59 LYS HG2 H 1.268 0.030 2 596 59 59 LYS HG3 H 1.391 0.030 2 597 59 59 LYS C C 176.841 0.300 1 598 59 59 LYS CA C 54.577 0.300 1 599 59 59 LYS CB C 35.170 0.300 1 600 59 59 LYS CD C 29.408 0.300 1 601 59 59 LYS CE C 42.283 0.300 1 602 59 59 LYS CG C 25.444 0.300 1 603 59 59 LYS N N 121.364 0.300 1 604 60 60 GLY H H 8.660 0.030 1 605 60 60 GLY HA2 H 3.996 0.030 2 606 60 60 GLY HA3 H 4.172 0.030 2 607 60 60 GLY C C 170.654 0.300 1 608 60 60 GLY CA C 45.457 0.300 1 609 60 60 GLY N N 109.282 0.300 1 610 61 61 LEU H H 8.744 0.030 1 611 61 61 LEU HA H 5.376 0.030 1 612 61 61 LEU HB2 H 1.188 0.030 2 613 61 61 LEU HB3 H 1.424 0.030 2 614 61 61 LEU HD1 H 0.786 0.030 1 615 61 61 LEU HD2 H 0.516 0.030 1 616 61 61 LEU HG H 1.666 0.030 1 617 61 61 LEU C C 178.296 0.300 1 618 61 61 LEU CA C 54.715 0.300 1 619 61 61 LEU CB C 43.525 0.300 1 620 61 61 LEU CD1 C 22.407 0.300 2 621 61 61 LEU CD2 C 25.265 0.300 2 622 61 61 LEU CG C 27.081 0.300 1 623 61 61 LEU N N 119.528 0.300 1 624 62 62 VAL H H 9.530 0.030 1 625 62 62 VAL HA H 5.123 0.030 1 626 62 62 VAL HB H 1.916 0.030 1 627 62 62 VAL HG1 H 0.824 0.030 1 628 62 62 VAL HG2 H 0.914 0.030 1 629 62 62 VAL C C 173.338 0.300 1 630 62 62 VAL CA C 57.497 0.300 1 631 62 62 VAL CB C 35.320 0.300 1 632 62 62 VAL CG1 C 21.081 0.300 2 633 62 62 VAL CG2 C 23.349 0.300 2 634 62 62 VAL N N 115.957 0.300 1 635 63 63 PRO HA H 3.873 0.030 1 636 63 63 PRO HB2 H 1.600 0.030 2 637 63 63 PRO HB3 H 1.775 0.030 2 638 63 63 PRO HD2 H 3.365 0.030 2 639 63 63 PRO HD3 H 3.571 0.030 2 640 63 63 PRO HG2 H 1.261 0.030 2 641 63 63 PRO HG3 H 0.818 0.030 2 642 63 63 PRO C C 178.468 0.300 1 643 63 63 PRO CA C 62.857 0.300 1 644 63 63 PRO CB C 31.243 0.300 1 645 63 63 PRO CD C 51.356 0.300 1 646 63 63 PRO CG C 27.144 0.300 1 647 64 64 SER H H 8.536 0.030 1 648 64 64 SER HA H 3.952 0.030 1 649 64 64 SER HB2 H 3.698 0.030 2 650 64 64 SER HB3 H 3.474 0.030 2 651 64 64 SER C C 176.411 0.300 1 652 64 64 SER CA C 61.958 0.300 1 653 64 64 SER CB C 63.436 0.300 1 654 64 64 SER N N 120.209 0.300 1 655 65 65 ASN H H 8.682 0.030 1 656 65 65 ASN HA H 4.767 0.030 1 657 65 65 ASN HB2 H 2.791 0.030 2 658 65 65 ASN HB3 H 2.955 0.030 2 659 65 65 ASN HD21 H 7.523 0.030 2 660 65 65 ASN HD22 H 6.695 0.030 2 661 65 65 ASN C C 175.277 0.300 1 662 65 65 ASN CA C 54.474 0.300 1 663 65 65 ASN CB C 36.690 0.300 1 664 65 65 ASN N N 116.937 0.300 1 665 65 65 ASN ND2 N 112.155 0.300 1 666 66 66 PHE H H 7.778 0.030 1 667 66 66 PHE HA H 4.774 0.030 1 668 66 66 PHE HB2 H 3.699 0.030 2 669 66 66 PHE HB3 H 3.318 0.030 2 670 66 66 PHE HD1 H 7.264 0.030 1 671 66 66 PHE HD2 H 7.264 0.030 1 672 66 66 PHE HE1 H 7.430 0.030 1 673 66 66 PHE HE2 H 7.430 0.030 1 674 66 66 PHE HZ H 7.380 0.030 1 675 66 66 PHE C C 173.847 0.300 1 676 66 66 PHE CA C 58.039 0.300 1 677 66 66 PHE CB C 39.641 0.300 1 678 66 66 PHE CD1 C 130.616 0.300 1 679 66 66 PHE CD2 C 130.616 0.300 1 680 66 66 PHE CE1 C 132.025 0.300 1 681 66 66 PHE CE2 C 132.025 0.300 1 682 66 66 PHE CZ C 130.290 0.300 1 683 66 66 PHE N N 118.963 0.300 1 684 67 67 LEU H H 7.497 0.030 1 685 67 67 LEU HA H 5.382 0.030 1 686 67 67 LEU HB2 H 1.743 0.030 2 687 67 67 LEU HB3 H 1.242 0.030 2 688 67 67 LEU HD1 H 0.326 0.030 1 689 67 67 LEU HD2 H 0.551 0.030 1 690 67 67 LEU HG H 1.621 0.030 1 691 67 67 LEU C C 176.024 0.300 1 692 67 67 LEU CA C 53.658 0.300 1 693 67 67 LEU CB C 47.121 0.300 1 694 67 67 LEU CD1 C 22.769 0.300 2 695 67 67 LEU CD2 C 26.630 0.300 2 696 67 67 LEU CG C 26.285 0.300 1 697 67 67 LEU N N 118.505 0.300 1 698 68 68 GLU H H 8.651 0.030 1 699 68 68 GLU HA H 4.654 0.030 1 700 68 68 GLU HB2 H 1.922 0.030 2 701 68 68 GLU HB3 H 1.879 0.030 2 702 68 68 GLU HG2 H 2.220 0.030 1 703 68 68 GLU HG3 H 2.220 0.030 1 704 68 68 GLU C C 174.526 0.300 1 705 68 68 GLU CA C 54.558 0.300 1 706 68 68 GLU CB C 34.066 0.300 1 707 68 68 GLU CG C 36.190 0.300 1 708 68 68 GLU N N 119.312 0.300 1 709 69 69 GLU H H 8.856 0.030 1 710 69 69 GLU HA H 4.600 0.030 1 711 69 69 GLU HB2 H 1.856 0.030 2 712 69 69 GLU HB3 H 1.981 0.030 2 713 69 69 GLU HG2 H 2.333 0.030 2 714 69 69 GLU HG3 H 2.297 0.030 2 715 69 69 GLU C C 177.063 0.300 1 716 69 69 GLU CA C 57.846 0.300 1 717 69 69 GLU CB C 30.160 0.300 1 718 69 69 GLU CG C 36.458 0.300 1 719 69 69 GLU N N 125.147 0.300 1 720 70 70 VAL H H 8.124 0.030 1 721 70 70 VAL HA H 4.047 0.030 1 722 70 70 VAL HB H 1.907 0.030 1 723 70 70 VAL HG1 H 0.860 0.030 1 724 70 70 VAL HG2 H 0.817 0.030 1 725 70 70 VAL C C 175.977 0.300 1 726 70 70 VAL CA C 62.700 0.300 1 727 70 70 VAL CB C 32.653 0.300 1 728 70 70 VAL CG1 C 21.367 0.300 2 729 70 70 VAL CG2 C 21.367 0.300 2 730 70 70 VAL N N 122.922 0.300 1 731 71 71 SER H H 8.435 0.030 1 732 71 71 SER HA H 4.504 0.030 1 733 71 71 SER HB2 H 3.850 0.030 1 734 71 71 SER HB3 H 3.850 0.030 1 735 71 71 SER C C 174.499 0.300 1 736 71 71 SER CA C 58.219 0.300 1 737 71 71 SER CB C 64.173 0.300 1 738 71 71 SER N N 120.287 0.300 1 739 72 72 GLY H H 8.286 0.030 1 740 72 72 GLY HA2 H 4.070 0.030 2 741 72 72 GLY HA3 H 4.160 0.030 2 742 72 72 GLY C C 171.781 0.300 1 743 72 72 GLY CA C 44.653 0.300 1 744 72 72 GLY N N 110.735 0.300 1 745 73 73 PRO HA H 4.476 0.030 1 746 73 73 PRO HB2 H 1.969 0.030 2 747 73 73 PRO HB3 H 2.286 0.030 2 748 73 73 PRO HD2 H 3.618 0.030 1 749 73 73 PRO HD3 H 3.618 0.030 1 750 73 73 PRO HG2 H 2.017 0.030 1 751 73 73 PRO HG3 H 2.017 0.030 1 752 73 73 PRO CA C 63.260 0.300 1 753 73 73 PRO CB C 32.245 0.300 1 754 73 73 PRO CD C 49.861 0.300 1 755 73 73 PRO CG C 27.124 0.300 1 stop_ save_