data_10070 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of RRM domain in heterogeneous nuclear ribonucleoprotein H' ; _BMRB_accession_number 10070 _BMRB_flat_file_name bmr10070.str _Entry_type original _Submission_date 2006-12-25 _Accession_date 2006-12-26 _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 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" 509 "13C chemical shifts" 394 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of RRM domain in heterogeneous nuclear ribonucleoprotein H'' _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 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 'Heterogeneous nuclear ribonucleoprotein H'' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Heterogeneous nuclear ribonucleoprotein H'' $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 'RRM domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GSSGSSGSSFQSTTGHCVHM RGLPYRATENDIYNFFSPLN PMRVHIEIGPDGRVTGEADV EFATHEDAVAAMAKDKANMQ HRYVELFLNSTAGTSGSGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 SER 10 PHE 11 GLN 12 SER 13 THR 14 THR 15 GLY 16 HIS 17 CYS 18 VAL 19 HIS 20 MET 21 ARG 22 GLY 23 LEU 24 PRO 25 TYR 26 ARG 27 ALA 28 THR 29 GLU 30 ASN 31 ASP 32 ILE 33 TYR 34 ASN 35 PHE 36 PHE 37 SER 38 PRO 39 LEU 40 ASN 41 PRO 42 MET 43 ARG 44 VAL 45 HIS 46 ILE 47 GLU 48 ILE 49 GLY 50 PRO 51 ASP 52 GLY 53 ARG 54 VAL 55 THR 56 GLY 57 GLU 58 ALA 59 ASP 60 VAL 61 GLU 62 PHE 63 ALA 64 THR 65 HIS 66 GLU 67 ASP 68 ALA 69 VAL 70 ALA 71 ALA 72 MET 73 ALA 74 LYS 75 ASP 76 LYS 77 ALA 78 ASN 79 MET 80 GLN 81 HIS 82 ARG 83 TYR 84 VAL 85 GLU 86 LEU 87 PHE 88 LEU 89 ASN 90 SER 91 THR 92 ALA 93 GLY 94 THR 95 SER 96 GLY 97 SER 98 GLY 99 PRO 100 SER 101 SER 102 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 1WEZ "Solution Structure Of Rrm Domain In Heterogeneous Nuclear Ribonucleoprotein H'" 100.00 102 100.00 100.00 2.22e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P040223-29 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 0.8 mM '[U-13C; U-15N]' 'd-Tris-HCl(pH 7.0)' 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 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.863 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.8 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 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_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 7.0 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_ _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 'Heterogeneous nuclear ribonucleoprotein H'' _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 4.553 0.030 1 2 6 6 SER HB2 H 3.908 0.030 1 3 6 6 SER HB3 H 3.908 0.030 1 4 6 6 SER C C 174.611 0.300 1 5 6 6 SER CA C 58.411 0.300 1 6 6 6 SER CB C 64.241 0.300 1 7 7 7 GLY H H 8.317 0.030 1 8 7 7 GLY HA2 H 4.091 0.030 1 9 7 7 GLY HA3 H 4.091 0.030 1 10 7 7 GLY C C 171.836 0.300 1 11 7 7 GLY CA C 44.661 0.300 1 12 7 7 GLY N N 110.838 0.300 1 13 9 9 SER HA H 4.459 0.030 1 14 9 9 SER HB2 H 3.861 0.030 1 15 9 9 SER HB3 H 3.861 0.030 1 16 9 9 SER C C 173.837 0.300 1 17 9 9 SER CA C 58.324 0.300 1 18 9 9 SER CB C 63.980 0.300 1 19 10 10 PHE H H 8.274 0.030 1 20 10 10 PHE HA H 4.278 0.030 1 21 10 10 PHE HB2 H 2.757 0.030 2 22 10 10 PHE HB3 H 2.671 0.030 2 23 10 10 PHE HD1 H 7.000 0.030 1 24 10 10 PHE HD2 H 7.000 0.030 1 25 10 10 PHE HE1 H 7.148 0.030 1 26 10 10 PHE HE2 H 7.148 0.030 1 27 10 10 PHE HZ H 7.043 0.030 1 28 10 10 PHE C C 174.684 0.300 1 29 10 10 PHE CA C 58.185 0.300 1 30 10 10 PHE CB C 39.765 0.300 1 31 10 10 PHE CD1 C 131.873 0.300 1 32 10 10 PHE CD2 C 131.873 0.300 1 33 10 10 PHE CE1 C 130.941 0.300 1 34 10 10 PHE CE2 C 130.941 0.300 1 35 10 10 PHE CZ C 129.095 0.300 1 36 10 10 PHE N N 122.980 0.300 1 37 11 11 GLN H H 7.894 0.030 1 38 11 11 GLN HA H 4.169 0.030 1 39 11 11 GLN HB2 H 1.839 0.030 2 40 11 11 GLN HB3 H 1.747 0.030 2 41 11 11 GLN HG2 H 2.154 0.030 1 42 11 11 GLN HG3 H 2.154 0.030 1 43 11 11 GLN HE21 H 7.393 0.030 2 44 11 11 GLN HE22 H 6.756 0.030 2 45 11 11 GLN C C 174.498 0.300 1 46 11 11 GLN CA C 54.584 0.300 1 47 11 11 GLN CB C 29.896 0.300 1 48 11 11 GLN CG C 33.514 0.300 1 49 11 11 GLN N N 125.584 0.300 1 50 11 11 GLN NE2 N 112.527 0.300 1 51 12 12 SER H H 8.356 0.030 1 52 12 12 SER HA H 4.211 0.030 1 53 12 12 SER HB2 H 3.889 0.030 2 54 12 12 SER HB3 H 3.669 0.030 2 55 12 12 SER C C 175.466 0.300 1 56 12 12 SER CA C 57.421 0.300 1 57 12 12 SER CB C 64.450 0.300 1 58 12 12 SER N N 118.286 0.300 1 59 13 13 THR H H 9.106 0.030 1 60 13 13 THR HA H 4.443 0.030 1 61 13 13 THR HB H 4.234 0.030 1 62 13 13 THR HG2 H 1.166 0.030 1 63 13 13 THR C C 175.716 0.300 1 64 13 13 THR CA C 62.550 0.300 1 65 13 13 THR CB C 69.607 0.300 1 66 13 13 THR CG2 C 21.521 0.300 1 67 13 13 THR N N 118.519 0.300 1 68 14 14 THR H H 8.052 0.030 1 69 14 14 THR HA H 4.358 0.030 1 70 14 14 THR HB H 4.413 0.030 1 71 14 14 THR HG2 H 1.271 0.030 1 72 14 14 THR C C 175.450 0.300 1 73 14 14 THR CA C 61.825 0.300 1 74 14 14 THR CB C 70.433 0.300 1 75 14 14 THR CG2 C 22.116 0.300 1 76 14 14 THR N N 113.052 0.300 1 77 15 15 GLY H H 8.264 0.030 1 78 15 15 GLY HA2 H 3.853 0.030 2 79 15 15 GLY HA3 H 3.704 0.030 2 80 15 15 GLY C C 173.772 0.300 1 81 15 15 GLY CA C 45.125 0.300 1 82 15 15 GLY N N 108.208 0.300 1 83 16 16 HIS H H 8.317 0.030 1 84 16 16 HIS HA H 5.299 0.030 1 85 16 16 HIS HB2 H 3.437 0.030 2 86 16 16 HIS HB3 H 2.712 0.030 2 87 16 16 HIS HD2 H 6.849 0.030 1 88 16 16 HIS C C 173.345 0.300 1 89 16 16 HIS CA C 53.595 0.300 1 90 16 16 HIS CB C 28.015 0.300 1 91 16 16 HIS CD2 C 123.427 0.300 1 92 16 16 HIS N N 120.619 0.300 1 93 17 17 CYS H H 7.995 0.030 1 94 17 17 CYS HA H 5.881 0.030 1 95 17 17 CYS HB2 H 3.097 0.030 1 96 17 17 CYS HB3 H 3.097 0.030 1 97 17 17 CYS C C 173.320 0.300 1 98 17 17 CYS CA C 57.325 0.300 1 99 17 17 CYS CB C 32.034 0.300 1 100 17 17 CYS N N 121.430 0.300 1 101 18 18 VAL H H 9.241 0.030 1 102 18 18 VAL HA H 4.872 0.030 1 103 18 18 VAL HB H 1.920 0.030 1 104 18 18 VAL HG1 H 1.062 0.030 1 105 18 18 VAL HG2 H 0.970 0.030 1 106 18 18 VAL C C 174.434 0.300 1 107 18 18 VAL CA C 61.197 0.300 1 108 18 18 VAL CB C 36.435 0.300 1 109 18 18 VAL CG1 C 23.011 0.300 2 110 18 18 VAL CG2 C 22.700 0.300 2 111 18 18 VAL N N 121.123 0.300 1 112 19 19 HIS H H 9.680 0.030 1 113 19 19 HIS HA H 5.530 0.030 1 114 19 19 HIS HB2 H 3.275 0.030 2 115 19 19 HIS HB3 H 3.252 0.030 2 116 19 19 HIS HD2 H 6.725 0.030 1 117 19 19 HIS C C 173.506 0.300 1 118 19 19 HIS CA C 54.362 0.300 1 119 19 19 HIS CB C 31.060 0.300 1 120 19 19 HIS CD2 C 119.320 0.300 1 121 19 19 HIS N N 125.998 0.300 1 122 20 20 MET H H 8.905 0.030 1 123 20 20 MET HA H 5.525 0.030 1 124 20 20 MET HB2 H 1.822 0.030 2 125 20 20 MET HB3 H 1.560 0.030 2 126 20 20 MET HG2 H 2.321 0.030 2 127 20 20 MET HG3 H 2.231 0.030 2 128 20 20 MET HE H 1.466 0.030 1 129 20 20 MET C C 174.708 0.300 1 130 20 20 MET CA C 53.846 0.300 1 131 20 20 MET CB C 37.511 0.300 1 132 20 20 MET CG C 31.197 0.300 1 133 20 20 MET CE C 17.831 0.300 1 134 20 20 MET N N 123.889 0.300 1 135 21 21 ARG H H 9.311 0.030 1 136 21 21 ARG HA H 4.921 0.030 1 137 21 21 ARG HB2 H 1.991 0.030 2 138 21 21 ARG HB3 H 1.884 0.030 2 139 21 21 ARG HG2 H 1.753 0.030 1 140 21 21 ARG HG3 H 1.753 0.030 1 141 21 21 ARG HD2 H 3.257 0.030 1 142 21 21 ARG HD3 H 3.257 0.030 1 143 21 21 ARG C C 174.248 0.300 1 144 21 21 ARG CA C 55.517 0.300 1 145 21 21 ARG CB C 34.716 0.300 1 146 21 21 ARG CG C 27.577 0.300 1 147 21 21 ARG CD C 44.071 0.300 1 148 21 21 ARG N N 119.540 0.300 1 149 22 22 GLY H H 8.035 0.030 1 150 22 22 GLY HA2 H 4.473 0.030 2 151 22 22 GLY HA3 H 3.688 0.030 2 152 22 22 GLY C C 174.595 0.300 1 153 22 22 GLY CA C 45.329 0.300 1 154 22 22 GLY N N 111.005 0.300 1 155 23 23 LEU H H 8.370 0.030 1 156 23 23 LEU HA H 3.900 0.030 1 157 23 23 LEU HB2 H 1.371 0.030 2 158 23 23 LEU HB3 H 1.117 0.030 2 159 23 23 LEU HG H 1.342 0.030 1 160 23 23 LEU HD1 H 0.521 0.030 1 161 23 23 LEU HD2 H 0.522 0.030 1 162 23 23 LEU C C 175.611 0.300 1 163 23 23 LEU CA C 53.815 0.300 1 164 23 23 LEU CB C 40.932 0.300 1 165 23 23 LEU CG C 27.661 0.300 1 166 23 23 LEU CD1 C 25.986 0.300 2 167 23 23 LEU CD2 C 24.302 0.300 2 168 23 23 LEU N N 118.154 0.300 1 169 24 24 PRO HA H 4.403 0.030 1 170 24 24 PRO HB2 H 2.183 0.030 2 171 24 24 PRO HB3 H 1.943 0.030 2 172 24 24 PRO HG2 H 1.759 0.030 1 173 24 24 PRO HG3 H 1.759 0.030 1 174 24 24 PRO HD2 H 3.443 0.030 2 175 24 24 PRO HD3 H 3.378 0.030 2 176 24 24 PRO C C 177.241 0.300 1 177 24 24 PRO CA C 62.207 0.300 1 178 24 24 PRO CB C 31.828 0.300 1 179 24 24 PRO CG C 27.480 0.300 1 180 24 24 PRO CD C 50.346 0.300 1 181 25 25 TYR H H 8.321 0.030 1 182 25 25 TYR HA H 4.416 0.030 1 183 25 25 TYR HB2 H 3.103 0.030 2 184 25 25 TYR HB3 H 2.960 0.030 2 185 25 25 TYR HD1 H 7.124 0.030 1 186 25 25 TYR HD2 H 7.124 0.030 1 187 25 25 TYR HE1 H 6.826 0.030 1 188 25 25 TYR HE2 H 6.826 0.030 1 189 25 25 TYR C C 177.160 0.300 1 190 25 25 TYR CA C 59.954 0.300 1 191 25 25 TYR CB C 38.064 0.300 1 192 25 25 TYR CD1 C 133.146 0.300 1 193 25 25 TYR CD2 C 133.146 0.300 1 194 25 25 TYR CE1 C 118.425 0.300 1 195 25 25 TYR CE2 C 118.425 0.300 1 196 25 25 TYR N N 122.696 0.300 1 197 26 26 ARG H H 8.004 0.030 1 198 26 26 ARG HA H 4.143 0.030 1 199 26 26 ARG HB2 H 1.991 0.030 2 200 26 26 ARG HB3 H 1.701 0.030 2 201 26 26 ARG HG2 H 1.401 0.030 2 202 26 26 ARG HG3 H 1.360 0.030 2 203 26 26 ARG HD2 H 3.129 0.030 1 204 26 26 ARG HD3 H 3.129 0.030 1 205 26 26 ARG C C 176.103 0.300 1 206 26 26 ARG CA C 55.621 0.300 1 207 26 26 ARG CB C 28.896 0.300 1 208 26 26 ARG CG C 27.440 0.300 1 209 26 26 ARG CD C 43.334 0.300 1 210 26 26 ARG N N 115.418 0.300 1 211 27 27 ALA H H 7.477 0.030 1 212 27 27 ALA HA H 4.341 0.030 1 213 27 27 ALA HB H 1.252 0.030 1 214 27 27 ALA C C 177.297 0.300 1 215 27 27 ALA CA C 53.140 0.300 1 216 27 27 ALA CB C 19.151 0.300 1 217 27 27 ALA N N 122.302 0.300 1 218 28 28 THR H H 8.907 0.030 1 219 28 28 THR HA H 4.612 0.030 1 220 28 28 THR HB H 4.637 0.030 1 221 28 28 THR HG2 H 1.312 0.030 1 222 28 28 THR C C 175.958 0.300 1 223 28 28 THR CA C 59.175 0.300 1 224 28 28 THR CB C 73.164 0.300 1 225 28 28 THR CG2 C 21.627 0.300 1 226 28 28 THR N N 111.804 0.300 1 227 29 29 GLU H H 9.341 0.030 1 228 29 29 GLU HA H 3.725 0.030 1 229 29 29 GLU HB2 H 2.139 0.030 2 230 29 29 GLU HB3 H 2.039 0.030 2 231 29 29 GLU HG2 H 2.350 0.030 2 232 29 29 GLU HG3 H 2.247 0.030 2 233 29 29 GLU C C 178.588 0.300 1 234 29 29 GLU CA C 61.360 0.300 1 235 29 29 GLU CB C 28.995 0.300 1 236 29 29 GLU CG C 37.241 0.300 1 237 29 29 GLU N N 120.156 0.300 1 238 30 30 ASN H H 8.365 0.030 1 239 30 30 ASN HA H 4.572 0.030 1 240 30 30 ASN HB2 H 2.750 0.030 2 241 30 30 ASN HB3 H 2.720 0.030 2 242 30 30 ASN HD21 H 7.713 0.030 2 243 30 30 ASN HD22 H 7.001 0.030 2 244 30 30 ASN C C 177.362 0.300 1 245 30 30 ASN CA C 56.913 0.300 1 246 30 30 ASN CB C 38.585 0.300 1 247 30 30 ASN N N 116.742 0.300 1 248 30 30 ASN ND2 N 113.279 0.300 1 249 31 31 ASP H H 7.789 0.030 1 250 31 31 ASP HA H 4.443 0.030 1 251 31 31 ASP HB2 H 3.029 0.030 2 252 31 31 ASP HB3 H 2.627 0.030 2 253 31 31 ASP C C 179.354 0.300 1 254 31 31 ASP CA C 57.751 0.300 1 255 31 31 ASP CB C 40.960 0.300 1 256 31 31 ASP N N 119.059 0.300 1 257 32 32 ILE H H 7.698 0.030 1 258 32 32 ILE HA H 3.487 0.030 1 259 32 32 ILE HB H 2.031 0.030 1 260 32 32 ILE HG12 H 1.579 0.030 2 261 32 32 ILE HG13 H 0.637 0.030 2 262 32 32 ILE HG2 H 0.903 0.030 1 263 32 32 ILE HD1 H 0.503 0.030 1 264 32 32 ILE C C 177.515 0.300 1 265 32 32 ILE CA C 65.720 0.300 1 266 32 32 ILE CB C 37.121 0.300 1 267 32 32 ILE CG1 C 29.542 0.300 1 268 32 32 ILE CG2 C 19.341 0.300 1 269 32 32 ILE CD1 C 13.608 0.300 1 270 32 32 ILE N N 122.066 0.300 1 271 33 33 TYR H H 8.546 0.030 1 272 33 33 TYR HA H 4.056 0.030 1 273 33 33 TYR HB2 H 3.158 0.030 2 274 33 33 TYR HB3 H 3.120 0.030 2 275 33 33 TYR HD1 H 7.274 0.030 1 276 33 33 TYR HD2 H 7.274 0.030 1 277 33 33 TYR HE1 H 6.805 0.030 1 278 33 33 TYR HE2 H 6.805 0.030 1 279 33 33 TYR C C 180.129 0.300 1 280 33 33 TYR CA C 63.816 0.300 1 281 33 33 TYR CB C 37.816 0.300 1 282 33 33 TYR CD1 C 132.928 0.300 1 283 33 33 TYR CD2 C 132.928 0.300 1 284 33 33 TYR CE1 C 118.486 0.300 1 285 33 33 TYR CE2 C 118.486 0.300 1 286 33 33 TYR N N 119.869 0.300 1 287 34 34 ASN H H 8.456 0.030 1 288 34 34 ASN HA H 4.529 0.030 1 289 34 34 ASN HB2 H 2.963 0.030 2 290 34 34 ASN HB3 H 2.916 0.030 2 291 34 34 ASN HD21 H 6.859 0.030 2 292 34 34 ASN HD22 H 7.790 0.030 2 293 34 34 ASN C C 177.273 0.300 1 294 34 34 ASN CA C 56.229 0.300 1 295 34 34 ASN CB C 38.078 0.300 1 296 34 34 ASN N N 117.332 0.300 1 297 34 34 ASN ND2 N 112.601 0.300 1 298 35 35 PHE H H 8.027 0.030 1 299 35 35 PHE HA H 4.179 0.030 1 300 35 35 PHE HB2 H 3.097 0.030 2 301 35 35 PHE HB3 H 3.014 0.030 2 302 35 35 PHE HD1 H 6.156 0.030 1 303 35 35 PHE HD2 H 6.156 0.030 1 304 35 35 PHE HE1 H 6.718 0.030 1 305 35 35 PHE HE2 H 6.718 0.030 1 306 35 35 PHE HZ H 7.159 0.030 1 307 35 35 PHE C C 175.990 0.300 1 308 35 35 PHE CA C 60.807 0.300 1 309 35 35 PHE CB C 39.760 0.300 1 310 35 35 PHE CD1 C 131.410 0.300 1 311 35 35 PHE CD2 C 131.410 0.300 1 312 35 35 PHE CE1 C 130.947 0.300 1 313 35 35 PHE CE2 C 130.947 0.300 1 314 35 35 PHE CZ C 130.464 0.300 1 315 35 35 PHE N N 121.903 0.300 1 316 36 36 PHE H H 7.375 0.030 1 317 36 36 PHE HA H 4.472 0.030 1 318 36 36 PHE HB2 H 3.572 0.030 2 319 36 36 PHE HB3 H 2.643 0.030 2 320 36 36 PHE HD1 H 7.417 0.030 1 321 36 36 PHE HD2 H 7.417 0.030 1 322 36 36 PHE HE1 H 7.676 0.030 1 323 36 36 PHE HE2 H 7.676 0.030 1 324 36 36 PHE HZ H 7.250 0.030 1 325 36 36 PHE C C 175.337 0.300 1 326 36 36 PHE CA C 59.834 0.300 1 327 36 36 PHE CB C 40.179 0.300 1 328 36 36 PHE CD1 C 131.785 0.300 1 329 36 36 PHE CD2 C 131.785 0.300 1 330 36 36 PHE CE1 C 132.403 0.300 1 331 36 36 PHE CE2 C 132.403 0.300 1 332 36 36 PHE CZ C 128.783 0.300 1 333 36 36 PHE N N 110.854 0.300 1 334 37 37 SER H H 7.485 0.030 1 335 37 37 SER HA H 4.604 0.030 1 336 37 37 SER HB2 H 4.169 0.030 2 337 37 37 SER HB3 H 3.985 0.030 2 338 37 37 SER C C 173.885 0.300 1 339 37 37 SER CA C 57.940 0.300 1 340 37 37 SER CB C 63.395 0.300 1 341 37 37 SER N N 117.522 0.300 1 342 38 38 PRO HA H 4.907 0.030 1 343 38 38 PRO HB2 H 2.391 0.030 2 344 38 38 PRO HB3 H 2.154 0.030 2 345 38 38 PRO HG2 H 1.994 0.030 2 346 38 38 PRO HG3 H 1.686 0.030 2 347 38 38 PRO HD2 H 3.562 0.030 2 348 38 38 PRO HD3 H 3.520 0.030 2 349 38 38 PRO C C 177.338 0.300 1 350 38 38 PRO CA C 63.957 0.300 1 351 38 38 PRO CB C 33.658 0.300 1 352 38 38 PRO CG C 24.450 0.300 1 353 38 38 PRO CD C 50.101 0.300 1 354 39 39 LEU H H 8.932 0.030 1 355 39 39 LEU HA H 4.359 0.030 1 356 39 39 LEU HB2 H 1.991 0.030 2 357 39 39 LEU HB3 H 1.326 0.030 2 358 39 39 LEU HG H 1.702 0.030 1 359 39 39 LEU HD1 H 0.758 0.030 1 360 39 39 LEU HD2 H 0.749 0.030 1 361 39 39 LEU C C 176.233 0.300 1 362 39 39 LEU CA C 55.658 0.300 1 363 39 39 LEU CB C 43.151 0.300 1 364 39 39 LEU CG C 27.203 0.300 1 365 39 39 LEU CD1 C 25.903 0.300 2 366 39 39 LEU CD2 C 22.660 0.300 2 367 39 39 LEU N N 127.516 0.300 1 368 40 40 ASN H H 9.116 0.030 1 369 40 40 ASN HA H 5.317 0.030 1 370 40 40 ASN HB2 H 2.856 0.030 2 371 40 40 ASN HB3 H 2.729 0.030 2 372 40 40 ASN HD21 H 7.483 0.030 2 373 40 40 ASN HD22 H 6.761 0.030 2 374 40 40 ASN C C 172.643 0.300 1 375 40 40 ASN CA C 50.538 0.300 1 376 40 40 ASN CB C 40.151 0.300 1 377 40 40 ASN N N 119.241 0.300 1 378 40 40 ASN ND2 N 112.517 0.300 1 379 41 41 PRO HA H 3.865 0.030 1 380 41 41 PRO HB2 H 1.249 0.030 2 381 41 41 PRO HB3 H 1.202 0.030 2 382 41 41 PRO HG2 H 1.334 0.030 2 383 41 41 PRO HG3 H 1.183 0.030 2 384 41 41 PRO HD2 H 3.750 0.030 1 385 41 41 PRO HD3 H 3.750 0.030 1 386 41 41 PRO C C 175.321 0.300 1 387 41 41 PRO CA C 62.571 0.300 1 388 41 41 PRO CB C 31.558 0.300 1 389 41 41 PRO CG C 26.736 0.300 1 390 41 41 PRO CD C 50.584 0.300 1 391 42 42 MET H H 8.938 0.030 1 392 42 42 MET HA H 4.421 0.030 1 393 42 42 MET HB2 H 2.084 0.030 2 394 42 42 MET HB3 H 1.720 0.030 2 395 42 42 MET HG2 H 2.504 0.030 1 396 42 42 MET HG3 H 2.504 0.030 1 397 42 42 MET HE H 2.095 0.030 1 398 42 42 MET C C 176.829 0.300 1 399 42 42 MET CA C 56.683 0.300 1 400 42 42 MET CB C 34.672 0.300 1 401 42 42 MET CG C 31.777 0.300 1 402 42 42 MET CE C 16.821 0.300 1 403 42 42 MET N N 119.446 0.300 1 404 43 43 ARG H H 7.275 0.030 1 405 43 43 ARG HA H 4.573 0.030 1 406 43 43 ARG HB2 H 1.845 0.030 1 407 43 43 ARG HB3 H 1.845 0.030 1 408 43 43 ARG HG2 H 1.588 0.030 2 409 43 43 ARG HG3 H 1.544 0.030 2 410 43 43 ARG HD2 H 3.283 0.030 2 411 43 43 ARG HD3 H 3.227 0.030 2 412 43 43 ARG C C 173.538 0.300 1 413 43 43 ARG CA C 56.046 0.300 1 414 43 43 ARG CB C 34.504 0.300 1 415 43 43 ARG CG C 27.673 0.300 1 416 43 43 ARG CD C 43.696 0.300 1 417 43 43 ARG N N 114.334 0.300 1 418 44 44 VAL H H 8.606 0.030 1 419 44 44 VAL HA H 4.418 0.030 1 420 44 44 VAL HB H 1.856 0.030 1 421 44 44 VAL HG1 H 0.758 0.030 1 422 44 44 VAL HG2 H 0.543 0.030 1 423 44 44 VAL C C 173.587 0.300 1 424 44 44 VAL CA C 61.303 0.300 1 425 44 44 VAL CB C 35.173 0.300 1 426 44 44 VAL CG1 C 22.189 0.300 2 427 44 44 VAL CG2 C 21.255 0.300 2 428 44 44 VAL N N 122.282 0.300 1 429 45 45 HIS H H 9.058 0.030 1 430 45 45 HIS HA H 4.975 0.030 1 431 45 45 HIS HB2 H 2.852 0.030 1 432 45 45 HIS HB3 H 2.852 0.030 1 433 45 45 HIS HD2 H 7.015 0.030 1 434 45 45 HIS HE1 H 7.955 0.030 1 435 45 45 HIS C C 173.869 0.300 1 436 45 45 HIS CA C 54.775 0.300 1 437 45 45 HIS CB C 32.684 0.300 1 438 45 45 HIS CD2 C 120.881 0.300 1 439 45 45 HIS CE1 C 138.109 0.300 1 440 45 45 HIS N N 126.431 0.300 1 441 46 46 ILE H H 8.753 0.030 1 442 46 46 ILE HA H 3.773 0.030 1 443 46 46 ILE HB H 1.626 0.030 1 444 46 46 ILE HG12 H 1.394 0.030 2 445 46 46 ILE HG13 H 0.558 0.030 2 446 46 46 ILE HG2 H 0.823 0.030 1 447 46 46 ILE HD1 H 0.592 0.030 1 448 46 46 ILE C C 174.676 0.300 1 449 46 46 ILE CA C 61.894 0.300 1 450 46 46 ILE CB C 38.232 0.300 1 451 46 46 ILE CG1 C 28.829 0.300 1 452 46 46 ILE CG2 C 17.671 0.300 1 453 46 46 ILE CD1 C 12.601 0.300 1 454 46 46 ILE N N 129.326 0.300 1 455 47 47 GLU H H 7.651 0.030 1 456 47 47 GLU HA H 4.020 0.030 1 457 47 47 GLU HB2 H 2.123 0.030 2 458 47 47 GLU HB3 H 1.841 0.030 2 459 47 47 GLU HG2 H 2.190 0.030 2 460 47 47 GLU HG3 H 2.081 0.030 2 461 47 47 GLU C C 175.603 0.300 1 462 47 47 GLU CA C 57.916 0.300 1 463 47 47 GLU CB C 30.475 0.300 1 464 47 47 GLU CG C 36.777 0.300 1 465 47 47 GLU N N 128.127 0.300 1 466 48 48 ILE H H 8.514 0.030 1 467 48 48 ILE HA H 4.459 0.030 1 468 48 48 ILE HB H 1.779 0.030 1 469 48 48 ILE HG12 H 1.490 0.030 2 470 48 48 ILE HG13 H 1.224 0.030 2 471 48 48 ILE HG2 H 0.896 0.030 1 472 48 48 ILE HD1 H 0.784 0.030 1 473 48 48 ILE C C 176.910 0.300 1 474 48 48 ILE CA C 59.748 0.300 1 475 48 48 ILE CB C 39.321 0.300 1 476 48 48 ILE CG1 C 26.724 0.300 1 477 48 48 ILE CG2 C 17.233 0.300 1 478 48 48 ILE CD1 C 12.082 0.300 1 479 48 48 ILE N N 126.940 0.300 1 480 49 49 GLY H H 8.815 0.030 1 481 49 49 GLY HA2 H 4.471 0.030 2 482 49 49 GLY HA3 H 4.106 0.030 2 483 49 49 GLY C C 173.708 0.300 1 484 49 49 GLY CA C 44.696 0.300 1 485 49 49 GLY N N 113.514 0.300 1 486 50 50 PRO HA H 4.412 0.030 1 487 50 50 PRO HB2 H 2.383 0.030 2 488 50 50 PRO HB3 H 2.020 0.030 2 489 50 50 PRO HG2 H 2.074 0.030 1 490 50 50 PRO HG3 H 2.074 0.030 1 491 50 50 PRO HD2 H 3.740 0.030 1 492 50 50 PRO HD3 H 3.740 0.030 1 493 50 50 PRO C C 176.515 0.300 1 494 50 50 PRO CA C 64.794 0.300 1 495 50 50 PRO CB C 31.616 0.300 1 496 50 50 PRO CG C 27.287 0.300 1 497 50 50 PRO CD C 49.837 0.300 1 498 51 51 ASP H H 8.033 0.030 1 499 51 51 ASP HA H 4.550 0.030 1 500 51 51 ASP HB2 H 3.000 0.030 2 501 51 51 ASP HB3 H 2.649 0.030 2 502 51 51 ASP C C 177.080 0.300 1 503 51 51 ASP CA C 52.801 0.300 1 504 51 51 ASP CB C 40.089 0.300 1 505 51 51 ASP N N 115.319 0.300 1 506 52 52 GLY H H 8.287 0.030 1 507 52 52 GLY HA2 H 4.206 0.030 2 508 52 52 GLY HA3 H 3.560 0.030 2 509 52 52 GLY C C 173.788 0.300 1 510 52 52 GLY CA C 45.463 0.300 1 511 52 52 GLY N N 107.833 0.300 1 512 53 53 ARG H H 7.590 0.030 1 513 53 53 ARG HA H 4.665 0.030 1 514 53 53 ARG HB2 H 1.859 0.030 1 515 53 53 ARG HB3 H 1.859 0.030 1 516 53 53 ARG HG2 H 1.576 0.030 2 517 53 53 ARG HG3 H 1.491 0.030 2 518 53 53 ARG HD2 H 3.180 0.030 1 519 53 53 ARG HD3 H 3.180 0.030 1 520 53 53 ARG C C 177.136 0.300 1 521 53 53 ARG CA C 54.915 0.300 1 522 53 53 ARG CB C 31.624 0.300 1 523 53 53 ARG CG C 27.709 0.300 1 524 53 53 ARG CD C 43.431 0.300 1 525 53 53 ARG N N 119.589 0.300 1 526 54 54 VAL H H 8.401 0.030 1 527 54 54 VAL HA H 4.677 0.030 1 528 54 54 VAL HB H 2.415 0.030 1 529 54 54 VAL HG1 H 1.057 0.030 1 530 54 54 VAL HG2 H 0.973 0.030 1 531 54 54 VAL C C 177.249 0.300 1 532 54 54 VAL CA C 62.568 0.300 1 533 54 54 VAL CB C 32.064 0.300 1 534 54 54 VAL CG1 C 21.745 0.300 2 535 54 54 VAL CG2 C 19.166 0.300 2 536 54 54 VAL N N 119.924 0.300 1 537 55 55 THR H H 7.681 0.030 1 538 55 55 THR HA H 4.440 0.030 1 539 55 55 THR HB H 4.525 0.030 1 540 55 55 THR HG2 H 1.189 0.030 1 541 55 55 THR C C 177.192 0.300 1 542 55 55 THR CA C 62.092 0.300 1 543 55 55 THR CB C 70.374 0.300 1 544 55 55 THR CG2 C 21.776 0.300 1 545 55 55 THR N N 111.181 0.300 1 546 56 56 GLY H H 8.681 0.030 1 547 56 56 GLY HA2 H 4.596 0.030 2 548 56 56 GLY HA3 H 3.876 0.030 2 549 56 56 GLY C C 172.780 0.300 1 550 56 56 GLY CA C 45.439 0.300 1 551 56 56 GLY N N 111.622 0.300 1 552 57 57 GLU H H 7.693 0.030 1 553 57 57 GLU HA H 5.367 0.030 1 554 57 57 GLU HB2 H 2.168 0.030 2 555 57 57 GLU HB3 H 1.943 0.030 2 556 57 57 GLU HG2 H 2.364 0.030 2 557 57 57 GLU HG3 H 2.285 0.030 2 558 57 57 GLU C C 176.418 0.300 1 559 57 57 GLU CA C 54.077 0.300 1 560 57 57 GLU CB C 31.630 0.300 1 561 57 57 GLU CG C 37.532 0.300 1 562 57 57 GLU N N 117.199 0.300 1 563 58 58 ALA H H 8.246 0.030 1 564 58 58 ALA HA H 4.934 0.030 1 565 58 58 ALA HB H 1.115 0.030 1 566 58 58 ALA C C 174.458 0.300 1 567 58 58 ALA CA C 51.440 0.300 1 568 58 58 ALA CB C 23.924 0.300 1 569 58 58 ALA N N 120.269 0.300 1 570 59 59 ASP H H 8.842 0.030 1 571 59 59 ASP HA H 5.479 0.030 1 572 59 59 ASP HB2 H 1.976 0.030 2 573 59 59 ASP HB3 H 1.770 0.030 2 574 59 59 ASP C C 173.804 0.300 1 575 59 59 ASP CA C 54.513 0.300 1 576 59 59 ASP CB C 45.916 0.300 1 577 59 59 ASP N N 118.137 0.300 1 578 60 60 VAL H H 8.893 0.030 1 579 60 60 VAL HA H 4.426 0.030 1 580 60 60 VAL HB H 1.812 0.030 1 581 60 60 VAL HG1 H 0.856 0.030 1 582 60 60 VAL HG2 H 0.204 0.030 1 583 60 60 VAL C C 173.369 0.300 1 584 60 60 VAL CA C 61.003 0.300 1 585 60 60 VAL CB C 34.020 0.300 1 586 60 60 VAL CG1 C 22.116 0.300 2 587 60 60 VAL CG2 C 22.707 0.300 2 588 60 60 VAL N N 121.407 0.300 1 589 61 61 GLU H H 8.523 0.030 1 590 61 61 GLU HA H 5.015 0.030 1 591 61 61 GLU HB2 H 2.155 0.030 2 592 61 61 GLU HB3 H 1.864 0.030 2 593 61 61 GLU HG2 H 2.353 0.030 2 594 61 61 GLU HG3 H 2.238 0.030 2 595 61 61 GLU C C 174.958 0.300 1 596 61 61 GLU CA C 55.087 0.300 1 597 61 61 GLU CB C 33.803 0.300 1 598 61 61 GLU CG C 37.959 0.300 1 599 61 61 GLU N N 126.365 0.300 1 600 62 62 PHE H H 9.338 0.030 1 601 62 62 PHE HA H 4.730 0.030 1 602 62 62 PHE HB2 H 3.497 0.030 2 603 62 62 PHE HB3 H 2.764 0.030 2 604 62 62 PHE HD1 H 7.185 0.030 1 605 62 62 PHE HD2 H 7.185 0.030 1 606 62 62 PHE HE1 H 6.542 0.030 1 607 62 62 PHE HE2 H 6.542 0.030 1 608 62 62 PHE HZ H 5.557 0.030 1 609 62 62 PHE C C 174.885 0.300 1 610 62 62 PHE CA C 57.715 0.300 1 611 62 62 PHE CB C 42.753 0.300 1 612 62 62 PHE CD1 C 131.309 0.300 1 613 62 62 PHE CD2 C 131.309 0.300 1 614 62 62 PHE CE1 C 130.454 0.300 1 615 62 62 PHE CE2 C 130.454 0.300 1 616 62 62 PHE CZ C 129.214 0.300 1 617 62 62 PHE N N 123.205 0.300 1 618 63 63 ALA H H 10.146 0.030 1 619 63 63 ALA HA H 4.469 0.030 1 620 63 63 ALA HB H 1.717 0.030 1 621 63 63 ALA C C 178.249 0.300 1 622 63 63 ALA CA C 55.146 0.300 1 623 63 63 ALA CB C 20.346 0.300 1 624 63 63 ALA N N 122.584 0.300 1 625 64 64 THR H H 7.100 0.030 1 626 64 64 THR HA H 4.456 0.030 1 627 64 64 THR HB H 4.505 0.030 1 628 64 64 THR HG2 H 1.208 0.030 1 629 64 64 THR C C 173.780 0.300 1 630 64 64 THR CA C 58.277 0.300 1 631 64 64 THR CB C 73.163 0.300 1 632 64 64 THR CG2 C 21.776 0.300 1 633 64 64 THR N N 100.939 0.300 1 634 65 65 HIS H H 8.433 0.030 1 635 65 65 HIS HA H 3.978 0.030 1 636 65 65 HIS HB2 H 2.786 0.030 2 637 65 65 HIS HB3 H 2.707 0.030 2 638 65 65 HIS HD2 H 6.940 0.030 1 639 65 65 HIS HE1 H 7.553 0.030 1 640 65 65 HIS C C 176.120 0.300 1 641 65 65 HIS CA C 58.863 0.300 1 642 65 65 HIS CB C 30.891 0.300 1 643 65 65 HIS CD2 C 118.264 0.300 1 644 65 65 HIS CE1 C 137.847 0.300 1 645 65 65 HIS N N 120.184 0.300 1 646 66 66 GLU H H 8.723 0.030 1 647 66 66 GLU HA H 3.549 0.030 1 648 66 66 GLU HB2 H 1.976 0.030 2 649 66 66 GLU HB3 H 1.838 0.030 2 650 66 66 GLU HG2 H 2.487 0.030 2 651 66 66 GLU HG3 H 2.201 0.030 2 652 66 66 GLU C C 179.379 0.300 1 653 66 66 GLU CA C 60.857 0.300 1 654 66 66 GLU CB C 28.358 0.300 1 655 66 66 GLU CG C 37.727 0.300 1 656 66 66 GLU N N 115.870 0.300 1 657 67 67 ASP H H 7.778 0.030 1 658 67 67 ASP HA H 4.096 0.030 1 659 67 67 ASP HB2 H 2.701 0.030 2 660 67 67 ASP HB3 H 2.366 0.030 2 661 67 67 ASP C C 175.837 0.300 1 662 67 67 ASP CA C 56.892 0.300 1 663 67 67 ASP CB C 40.420 0.300 1 664 67 67 ASP N N 120.933 0.300 1 665 68 68 ALA H H 6.813 0.030 1 666 68 68 ALA HA H 2.932 0.030 1 667 68 68 ALA HB H 1.139 0.030 1 668 68 68 ALA C C 177.555 0.300 1 669 68 68 ALA CA C 54.834 0.300 1 670 68 68 ALA CB C 17.151 0.300 1 671 68 68 ALA N N 121.776 0.300 1 672 69 69 VAL H H 8.008 0.030 1 673 69 69 VAL HA H 3.190 0.030 1 674 69 69 VAL HB H 1.628 0.030 1 675 69 69 VAL HG1 H 0.369 0.030 1 676 69 69 VAL HG2 H 0.730 0.030 1 677 69 69 VAL C C 180.121 0.300 1 678 69 69 VAL CA C 66.513 0.300 1 679 69 69 VAL CB C 31.760 0.300 1 680 69 69 VAL CG1 C 22.706 0.300 2 681 69 69 VAL CG2 C 21.141 0.300 2 682 69 69 VAL N N 115.071 0.300 1 683 70 70 ALA H H 7.883 0.030 1 684 70 70 ALA HA H 3.967 0.030 1 685 70 70 ALA HB H 1.408 0.030 1 686 70 70 ALA C C 181.161 0.300 1 687 70 70 ALA CA C 54.815 0.300 1 688 70 70 ALA CB C 17.845 0.300 1 689 70 70 ALA N N 123.838 0.300 1 690 71 71 ALA H H 7.799 0.030 1 691 71 71 ALA HA H 3.723 0.030 1 692 71 71 ALA HB H 0.990 0.030 1 693 71 71 ALA C C 178.265 0.300 1 694 71 71 ALA CA C 54.687 0.300 1 695 71 71 ALA CB C 19.157 0.300 1 696 71 71 ALA N N 123.465 0.300 1 697 72 72 MET H H 7.175 0.030 1 698 72 72 MET HA H 4.538 0.030 1 699 72 72 MET HB2 H 2.396 0.030 2 700 72 72 MET HB3 H 2.110 0.030 2 701 72 72 MET HG2 H 2.889 0.030 2 702 72 72 MET HG3 H 2.721 0.030 2 703 72 72 MET HE H 1.821 0.030 1 704 72 72 MET C C 179.467 0.300 1 705 72 72 MET CA C 54.685 0.300 1 706 72 72 MET CB C 28.141 0.300 1 707 72 72 MET CG C 32.082 0.300 1 708 72 72 MET CE C 15.026 0.300 1 709 72 72 MET N N 112.277 0.300 1 710 73 73 ALA H H 7.699 0.030 1 711 73 73 ALA HA H 4.276 0.030 1 712 73 73 ALA HB H 1.509 0.030 1 713 73 73 ALA C C 178.991 0.300 1 714 73 73 ALA CA C 54.123 0.300 1 715 73 73 ALA CB C 18.499 0.300 1 716 73 73 ALA N N 123.465 0.300 1 717 74 74 LYS H H 7.835 0.030 1 718 74 74 LYS HA H 4.128 0.030 1 719 74 74 LYS HB2 H 1.835 0.030 1 720 74 74 LYS HB3 H 1.835 0.030 1 721 74 74 LYS HG2 H 1.255 0.030 2 722 74 74 LYS HG3 H 1.191 0.030 2 723 74 74 LYS HD2 H 1.197 0.030 2 724 74 74 LYS HD3 H 1.093 0.030 2 725 74 74 LYS HE2 H 2.651 0.030 2 726 74 74 LYS HE3 H 2.462 0.030 2 727 74 74 LYS C C 174.595 0.300 1 728 74 74 LYS CA C 54.822 0.300 1 729 74 74 LYS CB C 30.961 0.300 1 730 74 74 LYS CG C 24.676 0.300 1 731 74 74 LYS CD C 27.394 0.300 1 732 74 74 LYS CE C 41.981 0.300 1 733 74 74 LYS N N 116.074 0.300 1 734 75 75 ASP H H 7.450 0.030 1 735 75 75 ASP HA H 4.335 0.030 1 736 75 75 ASP HB2 H 2.786 0.030 2 737 75 75 ASP HB3 H 2.627 0.030 2 738 75 75 ASP C C 177.160 0.300 1 739 75 75 ASP CA C 56.865 0.300 1 740 75 75 ASP CB C 41.342 0.300 1 741 75 75 ASP N N 119.199 0.300 1 742 76 76 LYS H H 8.654 0.030 1 743 76 76 LYS HA H 3.903 0.030 1 744 76 76 LYS HB2 H 2.084 0.030 2 745 76 76 LYS HB3 H 1.958 0.030 2 746 76 76 LYS HG2 H 1.415 0.030 2 747 76 76 LYS HG3 H 1.238 0.030 2 748 76 76 LYS HD2 H 1.701 0.030 2 749 76 76 LYS HD3 H 1.530 0.030 2 750 76 76 LYS HE2 H 3.003 0.030 1 751 76 76 LYS HE3 H 3.003 0.030 1 752 76 76 LYS C C 175.305 0.300 1 753 76 76 LYS CA C 58.249 0.300 1 754 76 76 LYS CB C 29.325 0.300 1 755 76 76 LYS CG C 25.566 0.300 1 756 76 76 LYS CD C 28.828 0.300 1 757 76 76 LYS CE C 42.367 0.300 1 758 76 76 LYS N N 122.139 0.300 1 759 77 77 ALA H H 8.017 0.030 1 760 77 77 ALA HA H 4.521 0.030 1 761 77 77 ALA HB H 1.498 0.030 1 762 77 77 ALA C C 176.297 0.300 1 763 77 77 ALA CA C 51.873 0.300 1 764 77 77 ALA CB C 19.714 0.300 1 765 77 77 ALA N N 121.024 0.300 1 766 78 78 ASN H H 8.211 0.030 1 767 78 78 ASN HA H 4.915 0.030 1 768 78 78 ASN HB2 H 2.484 0.030 1 769 78 78 ASN HB3 H 2.484 0.030 1 770 78 78 ASN HD21 H 6.544 0.030 2 771 78 78 ASN HD22 H 6.942 0.030 2 772 78 78 ASN C C 175.619 0.300 1 773 78 78 ASN CA C 53.251 0.300 1 774 78 78 ASN CB C 40.464 0.300 1 775 78 78 ASN N N 115.167 0.300 1 776 78 78 ASN ND2 N 111.392 0.300 1 777 79 79 MET H H 8.887 0.030 1 778 79 79 MET HA H 4.308 0.030 1 779 79 79 MET HB2 H 1.605 0.030 2 780 79 79 MET HB3 H 1.483 0.030 2 781 79 79 MET HG2 H 2.390 0.030 2 782 79 79 MET HG3 H 1.885 0.030 2 783 79 79 MET HE H 1.408 0.030 1 784 79 79 MET C C 174.466 0.300 1 785 79 79 MET CA C 55.810 0.300 1 786 79 79 MET CB C 35.455 0.300 1 787 79 79 MET CG C 31.927 0.300 1 788 79 79 MET CE C 16.642 0.300 1 789 79 79 MET N N 124.510 0.300 1 790 80 80 GLN H H 9.017 0.030 1 791 80 80 GLN HA H 3.615 0.030 1 792 80 80 GLN HB2 H 2.168 0.030 2 793 80 80 GLN HB3 H 1.979 0.030 2 794 80 80 GLN HG2 H 2.316 0.030 2 795 80 80 GLN HG3 H 2.224 0.030 2 796 80 80 GLN HE21 H 6.368 0.030 2 797 80 80 GLN HE22 H 7.402 0.030 2 798 80 80 GLN C C 174.910 0.300 1 799 80 80 GLN CA C 57.461 0.300 1 800 80 80 GLN CB C 26.253 0.300 1 801 80 80 GLN CG C 33.667 0.300 1 802 80 80 GLN N N 122.758 0.300 1 803 80 80 GLN NE2 N 109.718 0.300 1 804 81 81 HIS H H 8.199 0.030 1 805 81 81 HIS HA H 4.300 0.030 1 806 81 81 HIS HB2 H 3.400 0.030 2 807 81 81 HIS HB3 H 3.190 0.030 2 808 81 81 HIS HD2 H 6.952 0.030 1 809 81 81 HIS HE1 H 7.891 0.030 1 810 81 81 HIS C C 174.539 0.300 1 811 81 81 HIS CA C 57.455 0.300 1 812 81 81 HIS CB C 28.867 0.300 1 813 81 81 HIS CD2 C 119.409 0.300 1 814 81 81 HIS CE1 C 138.370 0.300 1 815 81 81 HIS N N 113.400 0.300 1 816 82 82 ARG H H 7.667 0.030 1 817 82 82 ARG HA H 4.465 0.030 1 818 82 82 ARG HB2 H 1.941 0.030 2 819 82 82 ARG HB3 H 1.689 0.030 2 820 82 82 ARG HG2 H 1.349 0.030 2 821 82 82 ARG HG3 H 1.314 0.030 2 822 82 82 ARG HD2 H 3.103 0.030 2 823 82 82 ARG HD3 H 3.073 0.030 2 824 82 82 ARG C C 174.659 0.300 1 825 82 82 ARG CA C 53.640 0.300 1 826 82 82 ARG CB C 31.603 0.300 1 827 82 82 ARG CG C 26.214 0.300 1 828 82 82 ARG CD C 42.232 0.300 1 829 82 82 ARG N N 120.008 0.300 1 830 83 83 TYR H H 8.283 0.030 1 831 83 83 TYR HA H 4.740 0.030 1 832 83 83 TYR HB2 H 2.790 0.030 2 833 83 83 TYR HB3 H 2.731 0.030 2 834 83 83 TYR HD1 H 7.156 0.030 1 835 83 83 TYR HD2 H 7.156 0.030 1 836 83 83 TYR HE1 H 6.824 0.030 1 837 83 83 TYR HE2 H 6.824 0.030 1 838 83 83 TYR C C 175.555 0.300 1 839 83 83 TYR CA C 57.427 0.300 1 840 83 83 TYR CB C 38.151 0.300 1 841 83 83 TYR CD1 C 133.494 0.300 1 842 83 83 TYR CD2 C 133.494 0.300 1 843 83 83 TYR CE1 C 118.393 0.300 1 844 83 83 TYR CE2 C 118.393 0.300 1 845 83 83 TYR N N 121.082 0.300 1 846 84 84 VAL H H 8.073 0.030 1 847 84 84 VAL HA H 4.234 0.030 1 848 84 84 VAL HB H 1.880 0.030 1 849 84 84 VAL HG1 H 0.582 0.030 1 850 84 84 VAL HG2 H 0.605 0.030 1 851 84 84 VAL C C 174.595 0.300 1 852 84 84 VAL CA C 61.955 0.300 1 853 84 84 VAL CB C 33.194 0.300 1 854 84 84 VAL CG1 C 22.094 0.300 2 855 84 84 VAL CG2 C 21.201 0.300 2 856 84 84 VAL N N 122.514 0.300 1 857 85 85 GLU H H 8.331 0.030 1 858 85 85 GLU HA H 4.693 0.030 1 859 85 85 GLU HB2 H 2.093 0.030 2 860 85 85 GLU HB3 H 1.949 0.030 2 861 85 85 GLU HG2 H 2.301 0.030 2 862 85 85 GLU HG3 H 2.101 0.030 2 863 85 85 GLU C C 174.877 0.300 1 864 85 85 GLU CA C 54.933 0.300 1 865 85 85 GLU CB C 33.281 0.300 1 866 85 85 GLU CG C 37.307 0.300 1 867 85 85 GLU N N 122.983 0.300 1 868 86 86 LEU H H 8.468 0.030 1 869 86 86 LEU HA H 5.473 0.030 1 870 86 86 LEU HB2 H 1.589 0.030 2 871 86 86 LEU HB3 H 1.495 0.030 2 872 86 86 LEU HG H 1.804 0.030 1 873 86 86 LEU HD1 H 1.078 0.030 1 874 86 86 LEU HD2 H 1.039 0.030 1 875 86 86 LEU C C 176.200 0.300 1 876 86 86 LEU CA C 52.969 0.300 1 877 86 86 LEU CB C 45.356 0.300 1 878 86 86 LEU CG C 28.929 0.300 1 879 86 86 LEU CD1 C 27.457 0.300 2 880 86 86 LEU CD2 C 26.617 0.300 2 881 86 86 LEU N N 121.768 0.300 1 882 87 87 PHE H H 8.842 0.030 1 883 87 87 PHE HA H 4.667 0.030 1 884 87 87 PHE HB2 H 3.198 0.030 2 885 87 87 PHE HB3 H 2.895 0.030 2 886 87 87 PHE HD1 H 7.255 0.030 1 887 87 87 PHE HD2 H 7.255 0.030 1 888 87 87 PHE HE1 H 7.239 0.030 1 889 87 87 PHE HE2 H 7.239 0.030 1 890 87 87 PHE HZ H 7.267 0.030 1 891 87 87 PHE C C 174.240 0.300 1 892 87 87 PHE CA C 56.827 0.300 1 893 87 87 PHE CB C 42.368 0.300 1 894 87 87 PHE CD1 C 132.168 0.300 1 895 87 87 PHE CD2 C 132.168 0.300 1 896 87 87 PHE CE1 C 131.072 0.300 1 897 87 87 PHE CE2 C 131.072 0.300 1 898 87 87 PHE CZ C 129.649 0.300 1 899 87 87 PHE N N 117.292 0.300 1 900 88 88 LEU H H 9.035 0.030 1 901 88 88 LEU HA H 4.443 0.030 1 902 88 88 LEU HB2 H 2.093 0.030 2 903 88 88 LEU HB3 H 1.683 0.030 2 904 88 88 LEU HG H 1.710 0.030 1 905 88 88 LEU HD1 H 1.022 0.030 1 906 88 88 LEU HD2 H 0.808 0.030 1 907 88 88 LEU C C 175.700 0.300 1 908 88 88 LEU CA C 56.273 0.300 1 909 88 88 LEU CB C 42.278 0.300 1 910 88 88 LEU CG C 27.190 0.300 1 911 88 88 LEU CD1 C 26.986 0.300 2 912 88 88 LEU CD2 C 23.710 0.300 2 913 88 88 LEU N N 127.467 0.300 1 914 89 89 ASN H H 8.906 0.030 1 915 89 89 ASN HA H 5.211 0.030 1 916 89 89 ASN HB2 H 2.821 0.030 2 917 89 89 ASN HB3 H 2.515 0.030 2 918 89 89 ASN HD21 H 7.637 0.030 2 919 89 89 ASN HD22 H 6.901 0.030 2 920 89 89 ASN C C 173.918 0.300 1 921 89 89 ASN CA C 51.920 0.300 1 922 89 89 ASN CB C 39.113 0.300 1 923 89 89 ASN N N 130.099 0.300 1 924 89 89 ASN ND2 N 111.814 0.300 1 925 90 90 SER H H 7.686 0.030 1 926 90 90 SER HA H 5.370 0.030 1 927 90 90 SER HB2 H 3.837 0.030 2 928 90 90 SER HB3 H 3.751 0.030 2 929 90 90 SER C C 173.853 0.300 1 930 90 90 SER CA C 57.325 0.300 1 931 90 90 SER CB C 64.737 0.300 1 932 90 90 SER N N 114.704 0.300 1 933 91 91 THR H H 8.243 0.030 1 934 91 91 THR HA H 4.372 0.030 1 935 91 91 THR HB H 4.132 0.030 1 936 91 91 THR HG2 H 1.222 0.030 1 937 91 91 THR C C 173.038 0.300 1 938 91 91 THR CA C 60.626 0.300 1 939 91 91 THR CB C 71.118 0.300 1 940 91 91 THR CG2 C 21.390 0.300 1 941 91 91 THR N N 120.209 0.300 1 942 92 92 ALA H H 8.100 0.030 1 943 92 92 ALA HA H 3.802 0.030 1 944 92 92 ALA HB H 1.155 0.030 1 945 92 92 ALA C C 178.556 0.300 1 946 92 92 ALA CA C 52.541 0.300 1 947 92 92 ALA CB C 19.021 0.300 1 948 92 92 ALA N N 124.748 0.300 1 949 93 93 GLY H H 8.295 0.030 1 950 93 93 GLY HA2 H 4.038 0.030 1 951 93 93 GLY HA3 H 4.038 0.030 1 952 93 93 GLY C C 174.337 0.300 1 953 93 93 GLY CA C 45.250 0.300 1 954 93 93 GLY N N 107.887 0.300 1 955 94 94 THR H H 8.154 0.030 1 956 94 94 THR HA H 4.477 0.030 1 957 94 94 THR HB H 4.294 0.030 1 958 94 94 THR C C 174.902 0.300 1 959 94 94 THR CA C 61.522 0.300 1 960 94 94 THR CB C 70.001 0.300 1 961 94 94 THR N N 113.302 0.300 1 962 99 99 PRO HA H 4.483 0.030 1 963 99 99 PRO HB2 H 2.305 0.030 2 964 99 99 PRO HB3 H 1.984 0.030 2 965 99 99 PRO HG2 H 2.026 0.030 1 966 99 99 PRO HG3 H 2.026 0.030 1 967 99 99 PRO HD2 H 3.642 0.030 1 968 99 99 PRO HD3 H 3.642 0.030 1 969 99 99 PRO C C 177.402 0.300 1 970 99 99 PRO CA C 63.282 0.300 1 971 99 99 PRO CB C 32.195 0.300 1 972 99 99 PRO CG C 27.157 0.300 1 973 99 99 PRO CD C 49.811 0.300 1 974 100 100 SER H H 8.516 0.030 1 975 100 100 SER HA H 4.525 0.030 1 976 100 100 SER HB2 H 3.936 0.030 1 977 100 100 SER HB3 H 3.936 0.030 1 978 100 100 SER C C 174.635 0.300 1 979 100 100 SER CA C 58.406 0.300 1 980 100 100 SER CB C 63.933 0.300 1 981 100 100 SER N N 116.387 0.300 1 982 101 101 SER H H 8.325 0.030 1 983 101 101 SER HA H 4.525 0.030 1 984 101 101 SER HB2 H 3.917 0.030 1 985 101 101 SER HB3 H 3.917 0.030 1 986 101 101 SER C C 173.934 0.300 1 987 101 101 SER CA C 58.450 0.300 1 988 101 101 SER CB C 64.194 0.300 1 989 101 101 SER N N 117.830 0.300 1 990 102 102 GLY H H 8.044 0.030 1 991 102 102 GLY HA2 H 3.782 0.030 1 992 102 102 GLY HA3 H 3.782 0.030 1 993 102 102 GLY C C 178.999 0.300 1 994 102 102 GLY CA C 46.216 0.300 1 995 102 102 GLY N N 116.870 0.300 1 stop_ save_