data_34067 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RBM5 OCRE domain in complex with polyproline SmN peptide. ; _BMRB_accession_number 34067 _BMRB_flat_file_name bmr34067.str _Entry_type original _Submission_date 2016-11-17 _Accession_date 2016-11-17 _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 Mourao A. . . 2 Sattler M. . . 3 Bonnal S. . . 4 Komal S. . . 5 Warner L. . . 6 Bordonne R. . . 7 Valcarcel J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 393 "13C chemical shifts" 292 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-12-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 34068 'RBM5 OCRE domain' stop_ _Original_release_date 2016-12-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for the recognition ofspliceosomal SmN B B proteins by theRBM5 OCRE domain in splicing regulation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27894420 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mourao A. . . 2 Bonnal S. . . 3 Komal S. . . 4 Warner L. . . 5 Bordonne R. . . 6 Valcarcel J. . . 7 Sattler M. . . stop_ _Journal_abbreviation Elife _Journal_volume 5 _Journal_issue . _Journal_ISSN 2050-084X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1 _Page_last 25 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA-binding protein 5, Survival motor neuron protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _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 entity_1 _Molecular_mass 7436.785 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; GAMGTKYAVPDTSTYQYDES SGYYYDPTTGLYYDPNSQYY YNSLTQQYLYWDGEKETYVP AAES ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 THR 6 LYS 7 TYR 8 ALA 9 VAL 10 PRO 11 ASP 12 THR 13 SER 14 THR 15 TYR 16 GLN 17 TYR 18 ASP 19 GLU 20 SER 21 SER 22 GLY 23 TYR 24 TYR 25 TYR 26 ASP 27 PRO 28 THR 29 THR 30 GLY 31 LEU 32 TYR 33 TYR 34 ASP 35 PRO 36 ASN 37 SER 38 GLN 39 TYR 40 TYR 41 TYR 42 ASN 43 SER 44 LEU 45 THR 46 GLN 47 GLN 48 TYR 49 LEU 50 TYR 51 TRP 52 ASP 53 GLY 54 GLU 55 LYS 56 GLU 57 THR 58 TYR 59 VAL 60 PRO 61 ALA 62 ALA 63 GLU 64 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 1136.371 _Mol_thiol_state 'not present' _Details . _Residue_count 11 _Mol_residue_sequence ; GMRPPPPGIRG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 100 GLY 2 101 MET 3 102 ARG 4 103 PRO 5 104 PRO 6 105 PRO 7 106 PRO 8 107 GLY 9 108 ILE 10 109 ARG 11 110 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'RBM5, H37, LUCA15' $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 'SMN1, SMN, SMNT, SMN2, SMNC' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . $entity_2 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details '2 mM [U-99% 15N] 15N, 2 mM [U-99% 13C; U-99% 15N] 13C_15N, 2 mM [U-13C; U-15N] unlabel, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2 mM '[U-99% 13C; U-99% 15N]' $entity_1 2 mM '[U-99% 15N]' $entity_1 2 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX500 _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX600 _Field_strength 600 _Details cryoprobe save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX900 _Field_strength 900 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_HSQC_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . bar temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_assigned_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C HSQC aromatic' '2D 1H-15N HSQC' '2D 1H-1H NOESY' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 2 2 ALA HA H 4.314 . 1 2 2 2 ALA HB H 1.309 . 1 3 2 2 ALA CA C 52.424 . 1 4 2 2 ALA CB C 19.545 . 1 5 3 3 MET H H 8.654 . 1 6 3 3 MET HA H 4.461 . 1 7 3 3 MET HB2 H 2.066 . 2 8 3 3 MET HG2 H 2.500 . 2 9 3 3 MET HE H 1.752 . 1 10 3 3 MET C C 176.792 . 1 11 3 3 MET CA C 55.522 . 1 12 3 3 MET CB C 32.700 . 1 13 3 3 MET CG C 32.000 . 1 14 3 3 MET CE C 17.000 . 1 15 3 3 MET N N 119.798 . 1 16 4 4 GLY H H 8.539 . 1 17 4 4 GLY HA2 H 3.963 . 2 18 4 4 GLY HA3 H 3.635 . 2 19 4 4 GLY C C 174.170 . 1 20 4 4 GLY CA C 45.291 . 1 21 4 4 GLY N N 110.287 . 1 22 5 5 THR H H 8.143 . 1 23 5 5 THR HA H 4.220 . 1 24 5 5 THR HB H 4.063 . 1 25 5 5 THR HG2 H 1.033 . 1 26 5 5 THR C C 174.087 . 1 27 5 5 THR CA C 61.831 . 1 28 5 5 THR CB C 69.852 . 1 29 5 5 THR CG2 C 21.530 . 1 30 5 5 THR N N 114.600 . 1 31 6 6 LYS H H 8.359 . 1 32 6 6 LYS HA H 4.377 . 1 33 6 6 LYS HB2 H 1.651 . 2 34 6 6 LYS HB3 H 1.632 . 2 35 6 6 LYS HG2 H 1.601 . 2 36 6 6 LYS HG3 H 1.583 . 2 37 6 6 LYS HD2 H 1.247 . 2 38 6 6 LYS HD3 H 1.223 . 2 39 6 6 LYS HE2 H 2.894 . 2 40 6 6 LYS C C 175.838 . 1 41 6 6 LYS CA C 56.082 . 1 42 6 6 LYS CB C 33.508 . 1 43 6 6 LYS CG C 29.024 . 1 44 6 6 LYS CD C 24.699 . 1 45 6 6 LYS CE C 41.806 . 1 46 6 6 LYS N N 124.034 . 1 47 7 7 TYR H H 8.438 . 1 48 7 7 TYR HA H 4.613 . 1 49 7 7 TYR HB2 H 3.236 . 2 50 7 7 TYR HB3 H 2.845 . 2 51 7 7 TYR HD1 H 7.239 . 3 52 7 7 TYR HD2 H 7.232 . 3 53 7 7 TYR HE1 H 6.814 . 3 54 7 7 TYR C C 175.180 . 1 55 7 7 TYR CA C 57.319 . 1 56 7 7 TYR CB C 40.364 . 1 57 7 7 TYR CD1 C 133.359 . 3 58 7 7 TYR CE1 C 117.954 . 3 59 7 7 TYR N N 121.547 . 1 60 8 8 ALA H H 8.383 . 1 61 8 8 ALA HA H 4.315 . 1 62 8 8 ALA HB H 1.306 . 1 63 8 8 ALA C C 176.477 . 1 64 8 8 ALA CA C 51.534 . 1 65 8 8 ALA CB C 19.310 . 1 66 8 8 ALA N N 124.880 . 1 67 9 9 VAL H H 8.036 . 1 68 9 9 VAL HA H 3.799 . 1 69 9 9 VAL HB H 1.864 . 1 70 9 9 VAL HG1 H 0.960 . 2 71 9 9 VAL HG2 H 0.888 . 2 72 9 9 VAL CA C 59.888 . 1 73 9 9 VAL CB C 32.333 . 1 74 9 9 VAL CG1 C 20.781 . 1 75 9 9 VAL CG2 C 20.948 . 1 76 9 9 VAL N N 119.735 . 1 77 10 10 PRO HA H 3.868 . 1 78 10 10 PRO HB2 H 1.805 . 2 79 10 10 PRO HB3 H 1.310 . 2 80 10 10 PRO HG2 H 1.137 . 2 81 10 10 PRO HG3 H 1.014 . 2 82 10 10 PRO HD2 H 2.461 . 2 83 10 10 PRO HD3 H 2.100 . 2 84 10 10 PRO C C 176.049 . 1 85 10 10 PRO CA C 62.999 . 1 86 10 10 PRO CB C 32.249 . 1 87 10 10 PRO CG C 26.568 . 1 88 10 10 PRO CD C 49.850 . 1 89 11 11 ASP H H 8.253 . 1 90 11 11 ASP HA H 4.548 . 1 91 11 11 ASP HB2 H 2.665 . 2 92 11 11 ASP HB3 H 2.436 . 2 93 11 11 ASP C C 176.912 . 1 94 11 11 ASP CA C 52.531 . 1 95 11 11 ASP CB C 40.615 . 1 96 11 11 ASP N N 120.769 . 1 97 12 12 THR H H 8.219 . 1 98 12 12 THR HA H 2.470 . 1 99 12 12 THR HB H 3.617 . 1 100 12 12 THR HG2 H 0.590 . 1 101 12 12 THR C C 176.412 . 1 102 12 12 THR CA C 62.233 . 1 103 12 12 THR CB C 68.189 . 1 104 12 12 THR CG2 C 20.686 . 1 105 12 12 THR N N 115.094 . 1 106 13 13 SER H H 8.339 . 1 107 13 13 SER HA H 4.131 . 1 108 13 13 SER HB2 H 3.863 . 2 109 13 13 SER HB3 H 3.896 . 2 110 13 13 SER C C 175.578 . 1 111 13 13 SER CA C 60.984 . 1 112 13 13 SER CB C 62.920 . 1 113 13 13 SER N N 118.749 . 1 114 14 14 THR H H 7.536 . 1 115 14 14 THR HA H 4.399 . 1 116 14 14 THR HB H 4.450 . 1 117 14 14 THR HG2 H 1.108 . 1 118 14 14 THR CA C 61.607 . 1 119 14 14 THR CB C 69.735 . 1 120 14 14 THR CG2 C 21.515 . 1 121 14 14 THR N N 110.557 . 1 122 15 15 TYR H H 7.458 . 1 123 15 15 TYR HA H 4.970 . 1 124 15 15 TYR HB2 H 3.209 . 2 125 15 15 TYR HB3 H 3.214 . 2 126 15 15 TYR HD1 H 6.818 . 3 127 15 15 TYR HE1 H 6.230 . 3 128 15 15 TYR C C 176.310 . 1 129 15 15 TYR CA C 55.260 . 1 130 15 15 TYR CB C 37.518 . 1 131 15 15 TYR CD1 C 130.438 . 3 132 15 15 TYR CE1 C 118.616 . 3 133 15 15 TYR N N 121.224 . 1 134 16 16 GLN H H 9.435 . 1 135 16 16 GLN HA H 4.886 . 1 136 16 16 GLN HB2 H 2.237 . 2 137 16 16 GLN HB3 H 2.230 . 2 138 16 16 GLN HG2 H 2.559 . 2 139 16 16 GLN HE21 H 7.026 . 2 140 16 16 GLN HE22 H 7.751 . 2 141 16 16 GLN C C 175.921 . 1 142 16 16 GLN CA C 54.264 . 1 143 16 16 GLN CB C 31.010 . 1 144 16 16 GLN CG C 33.554 . 1 145 16 16 GLN CD C 180.187 . 1 146 16 16 GLN N N 120.264 . 1 147 16 16 GLN NE2 N 111.573 . 1 148 17 17 TYR H H 9.480 . 1 149 17 17 TYR HA H 3.943 . 1 150 17 17 TYR HB2 H 2.782 . 2 151 17 17 TYR HB3 H 2.744 . 2 152 17 17 TYR HD1 H 6.195 . 3 153 17 17 TYR HD2 H 6.197 . 2 154 17 17 TYR HE1 H 6.507 . 3 155 17 17 TYR C C 174.151 . 1 156 17 17 TYR CA C 59.160 . 1 157 17 17 TYR CB C 38.748 . 1 158 17 17 TYR CD1 C 132.349 . 3 159 17 17 TYR CE1 C 117.602 . 3 160 17 17 TYR N N 126.828 . 1 161 18 18 ASP H H 8.197 . 1 162 18 18 ASP HA H 4.734 . 1 163 18 18 ASP HB2 H 2.969 . 2 164 18 18 ASP HB3 H 2.352 . 2 165 18 18 ASP C C 174.096 . 1 166 18 18 ASP CA C 52.283 . 1 167 18 18 ASP CB C 41.849 . 1 168 18 18 ASP N N 129.093 . 1 169 19 19 GLU H H 8.768 . 1 170 19 19 GLU HA H 3.617 . 1 171 19 19 GLU HB2 H 2.004 . 2 172 19 19 GLU HB3 H 1.999 . 2 173 19 19 GLU HG2 H 2.319 . 2 174 19 19 GLU C C 177.941 . 1 175 19 19 GLU CA C 58.639 . 1 176 19 19 GLU CB C 29.431 . 1 177 19 19 GLU CG C 36.051 . 1 178 19 19 GLU N N 125.322 . 1 179 20 20 SER H H 8.207 . 1 180 20 20 SER HA H 4.143 . 1 181 20 20 SER HB2 H 3.872 . 2 182 20 20 SER HB3 H 3.837 . 2 183 20 20 SER C C 175.032 . 1 184 20 20 SER CA C 61.028 . 1 185 20 20 SER CB C 62.874 . 1 186 20 20 SER N N 112.748 . 1 187 21 21 SER H H 7.456 . 1 188 21 21 SER HA H 4.315 . 1 189 21 21 SER HB2 H 3.501 . 2 190 21 21 SER HB3 H 3.485 . 2 191 21 21 SER C C 175.615 . 1 192 21 21 SER CA C 58.808 . 1 193 21 21 SER CB C 65.422 . 1 194 21 21 SER N N 113.278 . 1 195 22 22 GLY H H 8.388 . 1 196 22 22 GLY HA2 H 4.056 . 2 197 22 22 GLY HA3 H 3.671 . 2 198 22 22 GLY C C 173.392 . 1 199 22 22 GLY CA C 45.290 . 1 200 22 22 GLY N N 111.647 . 1 201 23 23 TYR H H 8.006 . 1 202 23 23 TYR HA H 5.155 . 1 203 23 23 TYR HB2 H 3.452 . 2 204 23 23 TYR HB3 H 3.100 . 2 205 23 23 TYR HD1 H 6.941 . 3 206 23 23 TYR HE1 H 6.559 . 3 207 23 23 TYR C C 175.050 . 1 208 23 23 TYR CA C 55.587 . 1 209 23 23 TYR CB C 40.225 . 1 210 23 23 TYR CD1 C 131.681 . 3 211 23 23 TYR CE1 C 117.753 . 3 212 23 23 TYR N N 118.416 . 1 213 24 24 TYR H H 9.365 . 1 214 24 24 TYR HA H 5.257 . 1 215 24 24 TYR HB2 H 3.352 . 2 216 24 24 TYR HB3 H 3.145 . 2 217 24 24 TYR HD1 H 7.238 . 3 218 24 24 TYR HD2 H 7.234 . 2 219 24 24 TYR HE1 H 6.980 . 3 220 24 24 TYR C C 175.356 . 1 221 24 24 TYR CA C 57.728 . 1 222 24 24 TYR CB C 41.329 . 1 223 24 24 TYR CD1 C 132.518 . 3 224 24 24 TYR CE1 C 118.581 . 3 225 24 24 TYR N N 116.532 . 1 226 25 25 TYR H H 9.750 . 1 227 25 25 TYR HA H 4.635 . 1 228 25 25 TYR HB2 H 2.699 . 2 229 25 25 TYR HD1 H 6.058 . 3 230 25 25 TYR HD2 H 6.086 . 2 231 25 25 TYR HE1 H 6.377 . 3 232 25 25 TYR C C 173.142 . 1 233 25 25 TYR CA C 56.943 . 1 234 25 25 TYR CB C 41.575 . 1 235 25 25 TYR CD1 C 132.534 . 3 236 25 25 TYR CE1 C 117.309 . 3 237 25 25 TYR N N 122.990 . 1 238 26 26 ASP H H 7.961 . 1 239 26 26 ASP HA H 4.649 . 1 240 26 26 ASP HB2 H 2.496 . 2 241 26 26 ASP HB3 H 2.082 . 2 242 26 26 ASP CA C 48.964 . 1 243 26 26 ASP CB C 41.534 . 1 244 26 26 ASP N N 126.636 . 1 245 27 27 PRO HA H 3.940 . 1 246 27 27 PRO HB2 H 2.379 . 2 247 27 27 PRO HB3 H 2.008 . 2 248 27 27 PRO HG2 H 2.072 . 2 249 27 27 PRO HD2 H 4.025 . 2 250 27 27 PRO HD3 H 4.146 . 2 251 27 27 PRO C C 178.209 . 1 252 27 27 PRO CA C 63.714 . 1 253 27 27 PRO CB C 32.454 . 1 254 27 27 PRO CG C 27.079 . 1 255 27 27 PRO CD C 51.067 . 1 256 28 28 THR H H 8.133 . 1 257 28 28 THR HA H 4.057 . 1 258 28 28 THR HB H 4.246 . 1 259 28 28 THR HG2 H 1.212 . 1 260 28 28 THR C C 175.828 . 1 261 28 28 THR CA C 64.754 . 1 262 28 28 THR CB C 68.415 . 1 263 28 28 THR CG2 C 21.976 . 1 264 28 28 THR N N 111.498 . 1 265 29 29 THR H H 6.754 . 1 266 29 29 THR HA H 4.244 . 1 267 29 29 THR HB H 3.807 . 1 268 29 29 THR HG2 H 1.031 . 1 269 29 29 THR C C 176.310 . 1 270 29 29 THR CA C 61.610 . 1 271 29 29 THR CB C 71.250 . 1 272 29 29 THR CG2 C 21.018 . 1 273 29 29 THR N N 108.360 . 1 274 30 30 GLY H H 8.455 . 1 275 30 30 GLY HA2 H 4.006 . 2 276 30 30 GLY HA3 H 3.529 . 2 277 30 30 GLY C C 173.457 . 1 278 30 30 GLY CA C 44.903 . 1 279 30 30 GLY N N 111.359 . 1 280 31 31 LEU H H 7.545 . 1 281 31 31 LEU HA H 4.548 . 1 282 31 31 LEU HB2 H 1.684 . 2 283 31 31 LEU HB3 H 1.406 . 2 284 31 31 LEU HG H 1.172 . 1 285 31 31 LEU HD1 H 0.588 . 2 286 31 31 LEU HD2 H -0.079 . 2 287 31 31 LEU C C 175.384 . 1 288 31 31 LEU CA C 53.908 . 1 289 31 31 LEU CB C 44.129 . 1 290 31 31 LEU CG C 26.723 . 1 291 31 31 LEU CD1 C 22.874 . 1 292 31 31 LEU CD2 C 23.732 . 1 293 31 31 LEU N N 119.267 . 1 294 32 32 TYR H H 8.758 . 1 295 32 32 TYR HA H 5.490 . 1 296 32 32 TYR HB2 H 3.103 . 2 297 32 32 TYR HB3 H 3.060 . 2 298 32 32 TYR HD1 H 7.278 . 3 299 32 32 TYR HE1 H 6.792 . 3 300 32 32 TYR C C 175.810 . 1 301 32 32 TYR CA C 57.189 . 1 302 32 32 TYR CB C 41.325 . 1 303 32 32 TYR CD1 C 133.137 . 3 304 32 32 TYR CE1 C 118.173 . 3 305 32 32 TYR N N 116.497 . 1 306 33 33 TYR H H 9.865 . 1 307 33 33 TYR HA H 4.873 . 1 308 33 33 TYR HB2 H 2.667 . 2 309 33 33 TYR HB3 H 2.465 . 2 310 33 33 TYR HD1 H 5.964 . 3 311 33 33 TYR HE1 H 6.367 . 3 312 33 33 TYR C C 173.337 . 1 313 33 33 TYR CA C 56.938 . 1 314 33 33 TYR CB C 42.441 . 1 315 33 33 TYR CD1 C 132.502 . 3 316 33 33 TYR CE1 C 117.140 . 3 317 33 33 TYR N N 121.602 . 1 318 34 34 ASP H H 8.136 . 1 319 34 34 ASP HA H 4.953 . 1 320 34 34 ASP HB2 H 2.790 . 2 321 34 34 ASP HB3 H 2.030 . 2 322 34 34 ASP CA C 49.123 . 1 323 34 34 ASP CB C 42.432 . 1 324 34 34 ASP N N 127.424 . 1 325 35 35 PRO HA H 3.943 . 1 326 35 35 PRO HB2 H 2.288 . 2 327 35 35 PRO HB3 H 2.069 . 2 328 35 35 PRO HG2 H 2.112 . 2 329 35 35 PRO HD2 H 4.315 . 2 330 35 35 PRO HD3 H 4.077 . 2 331 35 35 PRO C C 177.302 . 1 332 35 35 PRO CA C 63.727 . 1 333 35 35 PRO CB C 32.329 . 1 334 35 35 PRO CG C 27.267 . 1 335 35 35 PRO CD C 51.201 . 1 336 36 36 ASN H H 8.105 . 1 337 36 36 ASN HA H 4.515 . 1 338 36 36 ASN HB2 H 2.999 . 2 339 36 36 ASN HB3 H 2.808 . 2 340 36 36 ASN HD21 H 7.241 . 2 341 36 36 ASN HD22 H 8.116 . 2 342 36 36 ASN C C 175.504 . 1 343 36 36 ASN CA C 55.695 . 1 344 36 36 ASN CB C 38.516 . 1 345 36 36 ASN N N 115.897 . 1 346 36 36 ASN ND2 N 115.450 . 1 347 37 37 SER H H 7.403 . 1 348 37 37 SER HA H 4.198 . 1 349 37 37 SER HB2 H 3.699 . 2 350 37 37 SER HB3 H 3.674 . 2 351 37 37 SER C C 174.550 . 1 352 37 37 SER CA C 59.173 . 1 353 37 37 SER CB C 64.350 . 1 354 37 37 SER N N 112.833 . 1 355 38 38 GLN H H 8.180 . 1 356 38 38 GLN HA H 3.667 . 1 357 38 38 GLN HB2 H 2.437 . 2 358 38 38 GLN HB3 H 2.467 . 2 359 38 38 GLN HG2 H 2.240 . 2 360 38 38 GLN HG3 H 2.106 . 2 361 38 38 GLN HE21 H 6.866 . 2 362 38 38 GLN HE22 H 7.549 . 2 363 38 38 GLN C C 174.235 . 1 364 38 38 GLN CA C 57.972 . 1 365 38 38 GLN CB C 25.694 . 1 366 38 38 GLN CG C 34.546 . 1 367 38 38 GLN CD C 181.474 . 1 368 38 38 GLN N N 114.370 . 1 369 38 38 GLN NE2 N 111.988 . 1 370 39 39 TYR H H 7.648 . 1 371 39 39 TYR HA H 5.331 . 1 372 39 39 TYR HB2 H 3.576 . 2 373 39 39 TYR HB3 H 3.041 . 2 374 39 39 TYR HD1 H 7.214 . 3 375 39 39 TYR HE1 H 6.741 . 3 376 39 39 TYR C C 175.745 . 1 377 39 39 TYR CA C 57.333 . 1 378 39 39 TYR CB C 40.479 . 1 379 39 39 TYR CD1 C 132.709 . 3 380 39 39 TYR CE1 C 117.562 . 3 381 39 39 TYR N N 115.513 . 1 382 40 40 TYR H H 9.784 . 1 383 40 40 TYR HA H 5.648 . 1 384 40 40 TYR HB2 H 2.897 . 2 385 40 40 TYR HB3 H 2.942 . 2 386 40 40 TYR HD1 H 7.240 . 3 387 40 40 TYR HE1 H 6.876 . 3 388 40 40 TYR C C 175.801 . 1 389 40 40 TYR CA C 57.072 . 1 390 40 40 TYR CB C 41.587 . 1 391 40 40 TYR CD1 C 133.371 . 3 392 40 40 TYR CE1 C 117.980 . 3 393 40 40 TYR N N 118.357 . 1 394 41 41 TYR H H 9.623 . 1 395 41 41 TYR HA H 5.058 . 1 396 41 41 TYR HB2 H 2.669 . 2 397 41 41 TYR HB3 H 2.469 . 2 398 41 41 TYR HD1 H 5.834 . 3 399 41 41 TYR HD2 H 5.899 . 2 400 41 41 TYR HE1 H 6.139 . 3 401 41 41 TYR C C 173.617 . 1 402 41 41 TYR CA C 56.721 . 1 403 41 41 TYR CB C 42.205 . 1 404 41 41 TYR CD1 C 132.505 . 3 405 41 41 TYR CE1 C 116.693 . 3 406 41 41 TYR N N 121.526 . 1 407 42 42 ASN H H 8.247 . 1 408 42 42 ASN HA H 4.824 . 1 409 42 42 ASN HB2 H 3.063 . 2 410 42 42 ASN HB3 H 2.036 . 2 411 42 42 ASN HD21 H 7.256 . 2 412 42 42 ASN HD22 H 7.318 . 2 413 42 42 ASN C C 175.180 . 1 414 42 42 ASN CA C 50.904 . 1 415 42 42 ASN CB C 39.141 . 1 416 42 42 ASN CG C 177.496 . 1 417 42 42 ASN N N 125.860 . 1 418 42 42 ASN ND2 N 113.477 . 1 419 43 43 SER H H 9.110 . 1 420 43 43 SER HA H 3.806 . 1 421 43 43 SER HB2 H 4.075 . 2 422 43 43 SER HB3 H 3.828 . 2 423 43 43 SER C C 175.180 . 1 424 43 43 SER CA C 60.169 . 1 425 43 43 SER CB C 63.583 . 1 426 43 43 SER N N 119.635 . 1 427 44 44 LEU H H 8.312 . 1 428 44 44 LEU HA H 4.295 . 1 429 44 44 LEU HB2 H 1.832 . 2 430 44 44 LEU HB3 H 1.635 . 2 431 44 44 LEU HG H 1.613 . 1 432 44 44 LEU HD1 H 0.899 . 2 433 44 44 LEU HD2 H 0.854 . 2 434 44 44 LEU C C 178.821 . 1 435 44 44 LEU CA C 57.012 . 1 436 44 44 LEU CB C 41.721 . 1 437 44 44 LEU CG C 27.311 . 1 438 44 44 LEU CD1 C 24.448 . 1 439 44 44 LEU CD2 C 23.788 . 1 440 44 44 LEU N N 122.318 . 1 441 45 45 THR H H 7.183 . 1 442 45 45 THR HA H 4.159 . 1 443 45 45 THR HB H 4.191 . 1 444 45 45 THR HG2 H 0.998 . 1 445 45 45 THR C C 175.300 . 1 446 45 45 THR CA C 60.894 . 1 447 45 45 THR CB C 69.172 . 1 448 45 45 THR CG2 C 21.680 . 1 449 45 45 THR N N 107.043 . 1 450 46 46 GLN H H 7.998 . 1 451 46 46 GLN HA H 3.552 . 1 452 46 46 GLN HB2 H 2.354 . 2 453 46 46 GLN HB3 H 2.193 . 2 454 46 46 GLN HG2 H 2.189 . 2 455 46 46 GLN HG3 H 2.084 . 2 456 46 46 GLN HE21 H 6.821 . 2 457 46 46 GLN HE22 H 7.511 . 2 458 46 46 GLN C C 174.207 . 1 459 46 46 GLN CA C 56.969 . 1 460 46 46 GLN CB C 25.554 . 1 461 46 46 GLN CG C 34.316 . 1 462 46 46 GLN N N 116.860 . 1 463 46 46 GLN NE2 N 112.025 . 1 464 47 47 GLN H H 7.040 . 1 465 47 47 GLN HA H 4.628 . 1 466 47 47 GLN HB2 H 1.901 . 2 467 47 47 GLN HB3 H 1.627 . 2 468 47 47 GLN HG2 H 2.274 . 2 469 47 47 GLN HE21 H 7.093 . 2 470 47 47 GLN HE22 H 7.888 . 2 471 47 47 GLN C C 174.380 . 1 472 47 47 GLN CA C 54.400 . 1 473 47 47 GLN CB C 32.985 . 1 474 47 47 GLN CG C 33.976 . 1 475 47 47 GLN CD C 181.029 . 1 476 47 47 GLN N N 115.821 . 1 477 47 47 GLN NE2 N 113.295 . 1 478 48 48 TYR H H 8.870 . 1 479 48 48 TYR HA H 5.582 . 1 480 48 48 TYR HB2 H 2.758 . 2 481 48 48 TYR HB3 H 2.724 . 2 482 48 48 TYR HD1 H 7.237 . 3 483 48 48 TYR HD2 H 7.182 . 2 484 48 48 TYR HE1 H 6.646 . 3 485 48 48 TYR C C 176.597 . 1 486 48 48 TYR CA C 57.959 . 1 487 48 48 TYR CB C 39.863 . 1 488 48 48 TYR CD1 C 133.569 . 3 489 48 48 TYR CE1 C 117.955 . 3 490 48 48 TYR N N 120.880 . 1 491 49 49 LEU H H 9.699 . 1 492 49 49 LEU HA H 5.477 . 1 493 49 49 LEU HB2 H 1.592 . 2 494 49 49 LEU HB3 H 1.472 . 2 495 49 49 LEU HG H 1.464 . 1 496 49 49 LEU HD1 H 0.634 . 2 497 49 49 LEU HD2 H 0.680 . 2 498 49 49 LEU C C 175.189 . 1 499 49 49 LEU CA C 54.165 . 1 500 49 49 LEU CB C 47.863 . 1 501 49 49 LEU CG C 27.182 . 1 502 49 49 LEU CD1 C 24.627 . 1 503 49 49 LEU CD2 C 27.166 . 1 504 49 49 LEU N N 122.078 . 1 505 50 50 TYR H H 9.485 . 1 506 50 50 TYR HA H 5.741 . 1 507 50 50 TYR HB2 H 3.301 . 2 508 50 50 TYR HB3 H 3.056 . 2 509 50 50 TYR HD1 H 6.998 . 3 510 50 50 TYR HE1 H 6.766 . 3 511 50 50 TYR C C 174.235 . 1 512 50 50 TYR CA C 55.576 . 1 513 50 50 TYR CB C 41.712 . 1 514 50 50 TYR CD1 C 133.588 . 3 515 50 50 TYR CE1 C 117.896 . 3 516 50 50 TYR N N 117.688 . 1 517 51 51 TRP H H 9.350 . 1 518 51 51 TRP HA H 4.353 . 1 519 51 51 TRP HB2 H 3.208 . 2 520 51 51 TRP HB3 H 2.852 . 2 521 51 51 TRP HD1 H 6.911 . 1 522 51 51 TRP HE1 H 10.215 . 3 523 51 51 TRP HE3 H 5.364 . 3 524 51 51 TRP HZ2 H 7.125 . 3 525 51 51 TRP HZ3 H 6.134 . 3 526 51 51 TRP HH2 H 6.686 . 1 527 51 51 TRP C C 174.064 . 1 528 51 51 TRP CA C 56.851 . 1 529 51 51 TRP CB C 29.997 . 1 530 51 51 TRP CD1 C 126.626 . 3 531 51 51 TRP CE3 C 121.127 . 3 532 51 51 TRP CZ2 C 112.522 . 3 533 51 51 TRP CZ3 C 121.135 . 3 534 51 51 TRP CH2 C 123.881 . 1 535 51 51 TRP N N 122.362 . 1 536 51 51 TRP NE1 N 127.845 . 1 537 52 52 ASP H H 7.994 . 1 538 52 52 ASP HA H 4.570 . 1 539 52 52 ASP HB2 H 2.529 . 2 540 52 52 ASP HB3 H 2.126 . 2 541 52 52 ASP CA C 52.013 . 1 542 52 52 ASP CB C 42.816 . 1 543 52 52 ASP N N 129.340 . 1 544 53 53 GLY H H 8.568 . 1 545 53 53 GLY HA2 H 3.781 . 2 546 53 53 GLY HA3 H 3.559 . 2 547 53 53 GLY C C 174.893 . 1 548 53 53 GLY CA C 46.357 . 1 549 53 53 GLY N N 111.833 . 1 550 54 54 GLU H H 8.206 . 1 551 54 54 GLU HA H 4.121 . 1 552 54 54 GLU HB2 H 2.044 . 2 553 54 54 GLU HG2 H 2.247 . 2 554 54 54 GLU HG3 H 2.105 . 2 555 54 54 GLU C C 178.135 . 1 556 54 54 GLU CA C 58.098 . 1 557 54 54 GLU CB C 29.696 . 1 558 54 54 GLU CG C 36.622 . 1 559 54 54 GLU N N 120.364 . 1 560 55 55 LYS H H 7.684 . 1 561 55 55 LYS HA H 3.966 . 1 562 55 55 LYS HB2 H 1.653 . 2 563 55 55 LYS HB3 H 1.084 . 2 564 55 55 LYS HG2 H 1.486 . 2 565 55 55 LYS HG3 H 1.363 . 2 566 55 55 LYS HD2 H 1.310 . 2 567 55 55 LYS HD3 H 1.207 . 2 568 55 55 LYS HE2 H 2.871 . 2 569 55 55 LYS C C 175.680 . 1 570 55 55 LYS CA C 56.264 . 1 571 55 55 LYS CB C 33.808 . 1 572 55 55 LYS CG C 28.887 . 1 573 55 55 LYS CD C 25.575 . 1 574 55 55 LYS CE C 41.714 . 1 575 55 55 LYS N N 117.508 . 1 576 56 56 GLU H H 7.866 . 1 577 56 56 GLU HA H 2.988 . 1 578 56 56 GLU HB2 H 2.105 . 2 579 56 56 GLU HB3 H 2.095 . 2 580 56 56 GLU HG2 H 2.019 . 2 581 56 56 GLU C C 174.105 . 1 582 56 56 GLU CA C 56.801 . 1 583 56 56 GLU CB C 26.457 . 1 584 56 56 GLU CG C 37.184 . 1 585 56 56 GLU N N 116.439 . 1 586 57 57 THR H H 6.502 . 1 587 57 57 THR HA H 4.195 . 1 588 57 57 THR HB H 3.866 . 1 589 57 57 THR HG2 H 0.749 . 1 590 57 57 THR C C 171.150 . 1 591 57 57 THR CA C 59.803 . 1 592 57 57 THR CB C 69.517 . 1 593 57 57 THR CG2 C 19.184 . 1 594 57 57 THR N N 109.265 . 1 595 58 58 TYR H H 7.597 . 1 596 58 58 TYR HA H 4.895 . 1 597 58 58 TYR HB2 H 2.562 . 2 598 58 58 TYR HB3 H 2.578 . 2 599 58 58 TYR HD1 H 6.422 . 3 600 58 58 TYR HE1 H 5.797 . 3 601 58 58 TYR C C 175.828 . 1 602 58 58 TYR CA C 57.316 . 1 603 58 58 TYR CB C 39.984 . 1 604 58 58 TYR CD1 C 132.292 . 3 605 58 58 TYR CE1 C 118.607 . 3 606 58 58 TYR N N 120.660 . 1 607 59 59 VAL H H 9.268 . 1 608 59 59 VAL HA H 4.492 . 1 609 59 59 VAL HB H 1.338 . 1 610 59 59 VAL HG1 H 0.894 . 2 611 59 59 VAL HG2 H 0.594 . 2 612 59 59 VAL CA C 58.539 . 1 613 59 59 VAL CB C 34.076 . 1 614 59 59 VAL CG1 C 21.135 . 1 615 59 59 VAL CG2 C 20.808 . 1 616 59 59 VAL N N 124.060 . 1 617 60 60 PRO HA H 4.691 . 1 618 60 60 PRO HB2 H 2.313 . 2 619 60 60 PRO HB3 H 1.933 . 2 620 60 60 PRO HG2 H 2.129 . 2 621 60 60 PRO HG3 H 1.834 . 2 622 60 60 PRO HD2 H 3.790 . 2 623 60 60 PRO HD3 H 3.646 . 2 624 60 60 PRO C C 176.560 . 1 625 60 60 PRO CA C 63.370 . 1 626 60 60 PRO CB C 32.297 . 1 627 60 60 PRO CG C 28.022 . 1 628 60 60 PRO CD C 51.140 . 1 629 61 61 ALA H H 8.794 . 1 630 61 61 ALA HA H 4.470 . 1 631 61 61 ALA HB H 1.230 . 1 632 61 61 ALA C C 177.311 . 1 633 61 61 ALA CA C 52.243 . 1 634 61 61 ALA CB C 19.666 . 1 635 61 61 ALA N N 125.778 . 1 636 62 62 ALA H H 8.563 . 1 637 62 62 ALA HA H 4.411 . 1 638 62 62 ALA HB H 1.452 . 1 639 62 62 ALA C C 177.468 . 1 640 62 62 ALA CA C 52.263 . 1 641 62 62 ALA CB C 19.652 . 1 642 62 62 ALA N N 123.429 . 1 643 63 63 GLU H H 8.597 . 1 644 63 63 GLU HA H 4.333 . 1 645 63 63 GLU HB2 H 2.126 . 2 646 63 63 GLU HB3 H 1.948 . 2 647 63 63 GLU HG2 H 2.278 . 2 648 63 63 GLU HG3 H 2.118 . 2 649 63 63 GLU C C 175.745 . 1 650 63 63 GLU CA C 56.615 . 1 651 63 63 GLU CB C 30.486 . 1 652 63 63 GLU CG C 36.562 . 1 653 63 63 GLU N N 120.633 . 1 654 64 64 SER H H 8.081 . 1 655 64 64 SER HA H 4.209 . 1 656 64 64 SER HB2 H 3.833 . 2 657 64 64 SER CA C 59.788 . 1 658 64 64 SER CB C 64.809 . 1 659 64 64 SER N N 121.941 . 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C HSQC aromatic' '2D 1H-15N HSQC' '2D 1H-1H NOESY' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 1 100 1 GLY HA3 H 3.791 . 2 2 100 1 GLY CA C 44.588 . 1 3 101 2 MET HA H 4.451 . 1 4 101 2 MET HB2 H 1.994 . 2 5 101 2 MET HB3 H 1.931 . 2 6 101 2 MET HG2 H 2.498 . 2 7 101 2 MET HG3 H 2.467 . 2 8 101 2 MET HE H 2.013 . 1 9 101 2 MET CA C 56.259 . 1 10 101 2 MET CB C 33.266 . 1 11 101 2 MET CE C 16.925 . 1 12 102 3 ARG H H 8.417 . 1 13 102 3 ARG HA H 4.587 . 1 14 102 3 ARG HB2 H 1.771 . 2 15 102 3 ARG HB3 H 1.668 . 2 16 102 3 ARG HG2 H 1.621 . 2 17 102 3 ARG HD2 H 3.095 . 2 18 102 3 ARG CA C 53.866 . 1 19 102 3 ARG CB C 30.174 . 1 20 102 3 ARG CD C 43.227 . 1 21 103 4 PRO HA H 4.615 . 1 22 103 4 PRO HB2 H 2.261 . 2 23 103 4 PRO HB3 H 1.838 . 2 24 103 4 PRO HG2 H 1.976 . 2 25 103 4 PRO HG3 H 1.945 . 2 26 103 4 PRO HD2 H 3.762 . 2 27 103 4 PRO HD3 H 3.542 . 2 28 103 4 PRO CA C 61.461 . 1 29 103 4 PRO CB C 30.643 . 1 30 103 4 PRO CG C 27.276 . 1 31 103 4 PRO CD C 50.605 . 1 32 104 5 PRO HA H 4.601 . 1 33 104 5 PRO HB2 H 2.198 . 2 34 104 5 PRO HB3 H 1.806 . 2 35 104 5 PRO HG2 H 1.940 . 2 36 104 5 PRO HD2 H 3.727 . 2 37 104 5 PRO HD3 H 3.521 . 2 38 104 5 PRO CA C 61.258 . 1 39 104 5 PRO CB C 32.036 . 1 40 104 5 PRO CG C 27.293 . 1 41 104 5 PRO CD C 50.278 . 1 42 105 6 PRO HA H 4.544 . 1 43 105 6 PRO HB2 H 2.167 . 2 44 105 6 PRO HB3 H 1.782 . 2 45 105 6 PRO HG2 H 1.903 . 2 46 105 6 PRO HD2 H 3.665 . 2 47 105 6 PRO HD3 H 3.449 . 2 48 105 6 PRO CA C 61.225 . 1 49 105 6 PRO CB C 30.619 . 1 50 105 6 PRO CG C 27.267 . 1 51 105 6 PRO CD C 50.174 . 1 52 106 7 PRO HA H 4.331 . 1 53 106 7 PRO HB2 H 2.182 . 2 54 106 7 PRO HB3 H 1.822 . 2 55 106 7 PRO HG2 H 1.925 . 2 56 106 7 PRO HD2 H 3.654 . 2 57 106 7 PRO HD3 H 3.469 . 2 58 106 7 PRO CA C 63.170 . 1 59 106 7 PRO CB C 30.499 . 1 60 106 7 PRO CG C 27.227 . 1 61 106 7 PRO CD C 50.242 . 1 62 107 8 GLY H H 8.284 . 1 63 107 8 GLY HA2 H 3.878 . 2 64 107 8 GLY CA C 45.013 . 1 65 108 9 ILE H H 7.868 . 1 66 108 9 ILE HA H 4.128 . 1 67 108 9 ILE HB H 1.786 . 1 68 108 9 ILE HG12 H 1.366 . 1 69 108 9 ILE HG13 H 1.130 . 1 70 108 9 ILE HG2 H 0.841 . 2 71 108 9 ILE HD1 H 0.770 . 1 72 108 9 ILE CA C 62.266 . 1 73 108 9 ILE CB C 38.572 . 1 74 108 9 ILE CG1 C 27.256 . 2 75 108 9 ILE CG2 C 17.422 . 1 76 108 9 ILE CD1 C 12.777 . 1 77 109 10 ARG H H 8.366 . 1 78 109 10 ARG HA H 4.339 . 1 79 109 10 ARG HB2 H 1.852 . 2 80 109 10 ARG HB3 H 1.718 . 2 81 109 10 ARG HG2 H 1.610 . 2 82 109 10 ARG HG3 H 1.582 . 2 83 109 10 ARG HD2 H 3.129 . 2 84 109 10 ARG CA C 55.870 . 1 85 109 10 ARG CB C 30.829 . 1 86 109 10 ARG CG C 26.768 . 1 87 109 10 ARG CD C 43.158 . 1 88 110 11 GLY H H 7.902 . 1 89 110 11 GLY HA2 H 3.726 . 2 90 110 11 GLY HA3 H 3.685 . 2 91 110 11 GLY CA C 45.951 . 1 stop_ save_