data_10072 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of RRM domain in HNRPC protein ; _BMRB_accession_number 10072 _BMRB_flat_file_name bmr10072.str _Entry_type original _Submission_date 2006-12-25 _Accession_date 2006-12-27 _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" 499 "13C chemical shifts" 376 "15N chemical shifts" 89 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 HNRPC protein' _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 ribonucleoproteins C1/C2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Heterogeneous nuclear ribonucleoproteins C1/C2' $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 98 _Mol_residue_sequence ; GSSGSSGKTDPRSMNSRVFI GNLNTLVVKKSDVEAIFSKY GKIVGCSVHKGFAFVQYVNE RNARAAVAGEDGRMIAGQVL DINLAAEPKVNRSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 THR 10 ASP 11 PRO 12 ARG 13 SER 14 MET 15 ASN 16 SER 17 ARG 18 VAL 19 PHE 20 ILE 21 GLY 22 ASN 23 LEU 24 ASN 25 THR 26 LEU 27 VAL 28 VAL 29 LYS 30 LYS 31 SER 32 ASP 33 VAL 34 GLU 35 ALA 36 ILE 37 PHE 38 SER 39 LYS 40 TYR 41 GLY 42 LYS 43 ILE 44 VAL 45 GLY 46 CYS 47 SER 48 VAL 49 HIS 50 LYS 51 GLY 52 PHE 53 ALA 54 PHE 55 VAL 56 GLN 57 TYR 58 VAL 59 ASN 60 GLU 61 ARG 62 ASN 63 ALA 64 ARG 65 ALA 66 ALA 67 VAL 68 ALA 69 GLY 70 GLU 71 ASP 72 GLY 73 ARG 74 MET 75 ILE 76 ALA 77 GLY 78 GLN 79 VAL 80 LEU 81 ASP 82 ILE 83 ASN 84 LEU 85 ALA 86 ALA 87 GLU 88 PRO 89 LYS 90 VAL 91 ASN 92 ARG 93 SER 94 GLY 95 PRO 96 SER 97 SER 98 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 1WF2 "Solution Structure Of Rrm Domain In Hnrpc Protein" 100.00 98 100.00 100.00 1.22e-62 GB AAV66399 "heterogeneous nuclear ribonucleoprotein C [Macaca fascicularis]" 78.57 265 100.00 100.00 4.58e-46 GB EDL42257 "mCG18710, isoform CRA_d, partial [Mus musculus]" 88.78 299 97.70 98.85 1.14e-53 GB EDL42258 "mCG18710, isoform CRA_e, partial [Mus musculus]" 88.78 307 97.70 98.85 1.70e-53 REF XP_005372243 "PREDICTED: heterogeneous nuclear ribonucleoprotein C [Microtus ochrogaster]" 86.73 301 100.00 100.00 2.96e-53 REF XP_009989486 "PREDICTED: heterogeneous nuclear ribonucleoprotein C-like, partial [Tauraco erythrolophus]" 68.37 67 100.00 100.00 3.03e-39 REF XP_012325381 "PREDICTED: heterogeneous nuclear ribonucleoproteins C1/C2 [Aotus nancymaae]" 80.61 190 100.00 100.00 1.43e-47 REF XP_013226683 "PREDICTED: heterogeneous nuclear ribonucleoprotein C-like [Columba livia]" 74.49 214 100.00 100.00 1.92e-43 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 P040301-06 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 2.0.29 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 ribonucleoproteins C1/C2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 4.016 0.030 1 2 7 7 GLY HA3 H 4.016 0.030 1 3 7 7 GLY C C 174.049 0.300 1 4 7 7 GLY CA C 45.437 0.300 1 5 8 8 LYS H H 8.160 0.030 1 6 8 8 LYS HA H 4.388 0.030 1 7 8 8 LYS HB2 H 1.818 0.030 1 8 8 8 LYS HB3 H 1.818 0.030 1 9 8 8 LYS HG2 H 1.451 0.030 1 10 8 8 LYS HG3 H 1.451 0.030 1 11 8 8 LYS HD2 H 1.723 0.030 1 12 8 8 LYS HD3 H 1.723 0.030 1 13 8 8 LYS HE2 H 3.023 0.030 1 14 8 8 LYS HE3 H 3.023 0.030 1 15 8 8 LYS C C 176.839 0.300 1 16 8 8 LYS CA C 56.308 0.300 1 17 8 8 LYS CB C 33.206 0.300 1 18 8 8 LYS CG C 24.688 0.300 1 19 8 8 LYS CD C 29.101 0.300 1 20 8 8 LYS CE C 42.241 0.300 1 21 8 8 LYS N N 120.819 0.300 1 22 9 9 THR H H 8.193 0.030 1 23 9 9 THR HA H 4.304 0.030 1 24 9 9 THR HB H 4.137 0.030 1 25 9 9 THR HG2 H 1.139 0.030 1 26 9 9 THR C C 173.841 0.300 1 27 9 9 THR CA C 61.646 0.300 1 28 9 9 THR CB C 69.938 0.300 1 29 9 9 THR CG2 C 21.679 0.300 1 30 9 9 THR N N 115.536 0.300 1 31 10 10 ASP H H 8.414 0.030 1 32 10 10 ASP HA H 4.885 0.030 1 33 10 10 ASP HB2 H 2.786 0.030 2 34 10 10 ASP HB3 H 2.593 0.030 2 35 10 10 ASP CA C 52.006 0.300 1 36 10 10 ASP CB C 41.483 0.300 1 37 10 10 ASP N N 124.673 0.300 1 38 11 11 PRO HA H 4.395 0.030 1 39 11 11 PRO HB2 H 2.318 0.030 2 40 11 11 PRO HB3 H 1.984 0.030 2 41 11 11 PRO HG2 H 2.032 0.030 1 42 11 11 PRO HG3 H 2.032 0.030 1 43 11 11 PRO HD2 H 3.895 0.030 2 44 11 11 PRO HD3 H 3.876 0.030 2 45 11 11 PRO C C 177.615 0.300 1 46 11 11 PRO CA C 64.122 0.300 1 47 11 11 PRO CB C 32.218 0.300 1 48 11 11 PRO CG C 27.241 0.300 1 49 11 11 PRO CD C 50.970 0.300 1 50 12 12 ARG H H 8.388 0.030 1 51 12 12 ARG HA H 4.250 0.030 1 52 12 12 ARG HB2 H 1.887 0.030 2 53 12 12 ARG HB3 H 1.821 0.030 2 54 12 12 ARG HG2 H 1.647 0.030 1 55 12 12 ARG HG3 H 1.647 0.030 1 56 12 12 ARG HD2 H 3.220 0.030 1 57 12 12 ARG HD3 H 3.220 0.030 1 58 12 12 ARG C C 177.411 0.300 1 59 12 12 ARG CA C 56.975 0.300 1 60 12 12 ARG CB C 30.109 0.300 1 61 12 12 ARG CG C 27.095 0.300 1 62 12 12 ARG CD C 43.345 0.300 1 63 12 12 ARG N N 118.953 0.300 1 64 13 13 SER H H 8.074 0.030 1 65 13 13 SER HA H 4.376 0.030 1 66 13 13 SER HB2 H 3.898 0.030 1 67 13 13 SER HB3 H 3.898 0.030 1 68 13 13 SER C C 175.684 0.300 1 69 13 13 SER CA C 59.098 0.300 1 70 13 13 SER CB C 63.771 0.300 1 71 13 13 SER N N 115.673 0.300 1 72 14 14 MET HA H 4.346 0.030 1 73 14 14 MET HB2 H 2.070 0.030 2 74 14 14 MET HB3 H 2.015 0.030 2 75 14 14 MET HG2 H 2.628 0.030 2 76 14 14 MET HG3 H 2.514 0.030 2 77 14 14 MET HE H 2.036 0.030 1 78 14 14 MET C C 176.830 0.300 1 79 14 14 MET CA C 56.795 0.300 1 80 14 14 MET CB C 32.632 0.300 1 81 14 14 MET CG C 32.281 0.300 1 82 14 14 MET CE C 17.176 0.300 1 83 15 15 ASN H H 8.465 0.030 1 84 15 15 ASN HA H 4.711 0.030 1 85 15 15 ASN HB2 H 2.927 0.030 2 86 15 15 ASN HB3 H 2.800 0.030 2 87 15 15 ASN HD21 H 6.830 0.030 2 88 15 15 ASN HD22 H 7.463 0.030 2 89 15 15 ASN C C 173.268 0.300 1 90 15 15 ASN CA C 53.903 0.300 1 91 15 15 ASN CB C 37.955 0.300 1 92 15 15 ASN N N 118.004 0.300 1 93 15 15 ASN ND2 N 111.530 0.300 1 94 16 16 SER H H 7.573 0.030 1 95 16 16 SER HA H 4.468 0.030 1 96 16 16 SER HB2 H 3.879 0.030 2 97 16 16 SER HB3 H 3.380 0.030 2 98 16 16 SER C C 172.286 0.300 1 99 16 16 SER CA C 57.200 0.300 1 100 16 16 SER CB C 63.569 0.300 1 101 16 16 SER N N 108.779 0.300 1 102 17 17 ARG H H 7.658 0.030 1 103 17 17 ARG HA H 5.236 0.030 1 104 17 17 ARG HB2 H 1.898 0.030 2 105 17 17 ARG HB3 H 1.839 0.030 2 106 17 17 ARG HG2 H 1.494 0.030 2 107 17 17 ARG HG3 H 1.438 0.030 2 108 17 17 ARG HD2 H 2.898 0.030 1 109 17 17 ARG HD3 H 2.898 0.030 1 110 17 17 ARG C C 174.489 0.300 1 111 17 17 ARG CA C 54.805 0.300 1 112 17 17 ARG CB C 33.369 0.300 1 113 17 17 ARG CG C 28.042 0.300 1 114 17 17 ARG CD C 43.545 0.300 1 115 17 17 ARG N N 123.498 0.300 1 116 18 18 VAL H H 9.602 0.030 1 117 18 18 VAL HA H 4.510 0.030 1 118 18 18 VAL HB H 1.967 0.030 1 119 18 18 VAL HG1 H 1.073 0.030 1 120 18 18 VAL HG2 H 0.792 0.030 1 121 18 18 VAL C C 174.191 0.300 1 122 18 18 VAL CA C 61.796 0.300 1 123 18 18 VAL CB C 34.527 0.300 1 124 18 18 VAL CG1 C 22.774 0.300 2 125 18 18 VAL CG2 C 22.938 0.300 2 126 18 18 VAL N N 125.316 0.300 1 127 19 19 PHE H H 9.221 0.030 1 128 19 19 PHE HA H 4.697 0.030 1 129 19 19 PHE HB2 H 3.000 0.030 2 130 19 19 PHE HB3 H 2.900 0.030 2 131 19 19 PHE HD1 H 6.870 0.030 1 132 19 19 PHE HD2 H 6.870 0.030 1 133 19 19 PHE HE1 H 6.828 0.030 1 134 19 19 PHE HE2 H 6.828 0.030 1 135 19 19 PHE HZ H 6.935 0.030 1 136 19 19 PHE C C 172.653 0.300 1 137 19 19 PHE CA C 56.948 0.300 1 138 19 19 PHE CB C 40.808 0.300 1 139 19 19 PHE CD1 C 132.174 0.300 1 140 19 19 PHE CD2 C 132.174 0.300 1 141 19 19 PHE CE1 C 131.098 0.300 1 142 19 19 PHE CE2 C 131.098 0.300 1 143 19 19 PHE CZ C 129.334 0.300 1 144 19 19 PHE N N 127.504 0.300 1 145 20 20 ILE H H 8.286 0.030 1 146 20 20 ILE HA H 3.998 0.030 1 147 20 20 ILE HB H 1.353 0.030 1 148 20 20 ILE HG12 H 0.465 0.030 2 149 20 20 ILE HG13 H 1.076 0.030 2 150 20 20 ILE HG2 H 0.704 0.030 1 151 20 20 ILE HD1 H -0.130 0.030 1 152 20 20 ILE C C 173.362 0.300 1 153 20 20 ILE CA C 59.778 0.300 1 154 20 20 ILE CB C 38.727 0.300 1 155 20 20 ILE CG1 C 27.410 0.300 1 156 20 20 ILE CG2 C 20.375 0.300 1 157 20 20 ILE CD1 C 15.568 0.300 1 158 20 20 ILE N N 127.405 0.300 1 159 21 21 GLY H H 8.485 0.030 1 160 21 21 GLY HA2 H 4.294 0.030 2 161 21 21 GLY HA3 H 3.725 0.030 2 162 21 21 GLY C C 173.909 0.300 1 163 21 21 GLY CA C 44.182 0.300 1 164 21 21 GLY N N 113.224 0.300 1 165 22 22 ASN H H 8.782 0.030 1 166 22 22 ASN HA H 4.414 0.030 1 167 22 22 ASN HB2 H 3.819 0.030 2 168 22 22 ASN HB3 H 2.514 0.030 2 169 22 22 ASN HD21 H 8.371 0.030 2 170 22 22 ASN HD22 H 6.771 0.030 2 171 22 22 ASN C C 174.267 0.300 1 172 22 22 ASN CA C 53.705 0.300 1 173 22 22 ASN CB C 38.242 0.300 1 174 22 22 ASN N N 117.746 0.300 1 175 22 22 ASN ND2 N 112.302 0.300 1 176 23 23 LEU H H 7.341 0.030 1 177 23 23 LEU HA H 4.009 0.030 1 178 23 23 LEU HB2 H 1.289 0.030 2 179 23 23 LEU HB3 H 0.830 0.030 2 180 23 23 LEU HG H 0.971 0.030 1 181 23 23 LEU HD1 H 0.424 0.030 1 182 23 23 LEU HD2 H 0.727 0.030 1 183 23 23 LEU C C 176.505 0.300 1 184 23 23 LEU CA C 52.719 0.300 1 185 23 23 LEU CB C 44.587 0.300 1 186 23 23 LEU CG C 26.493 0.300 1 187 23 23 LEU CD1 C 27.089 0.300 2 188 23 23 LEU CD2 C 22.882 0.300 2 189 23 23 LEU N N 118.639 0.300 1 190 24 24 ASN H H 8.991 0.030 1 191 24 24 ASN HA H 4.819 0.030 1 192 24 24 ASN HB2 H 3.142 0.030 2 193 24 24 ASN HB3 H 2.485 0.030 2 194 24 24 ASN HD21 H 7.120 0.030 2 195 24 24 ASN HD22 H 7.973 0.030 2 196 24 24 ASN C C 175.924 0.300 1 197 24 24 ASN CA C 51.748 0.300 1 198 24 24 ASN CB C 35.712 0.300 1 199 24 24 ASN N N 123.895 0.300 1 200 24 24 ASN ND2 N 110.123 0.300 1 201 25 25 THR H H 8.235 0.030 1 202 25 25 THR HA H 4.309 0.030 1 203 25 25 THR HB H 4.644 0.030 1 204 25 25 THR HG2 H 1.120 0.030 1 205 25 25 THR C C 175.113 0.300 1 206 25 25 THR CA C 63.460 0.300 1 207 25 25 THR CB C 67.536 0.300 1 208 25 25 THR CG2 C 22.481 0.300 1 209 25 25 THR N N 117.830 0.300 1 210 26 26 LEU H H 7.676 0.030 1 211 26 26 LEU HA H 4.322 0.030 1 212 26 26 LEU HB2 H 1.926 0.030 2 213 26 26 LEU HB3 H 1.615 0.030 2 214 26 26 LEU HG H 1.684 0.030 1 215 26 26 LEU HD1 H 0.946 0.030 1 216 26 26 LEU HD2 H 0.896 0.030 1 217 26 26 LEU C C 178.249 0.300 1 218 26 26 LEU CA C 57.297 0.300 1 219 26 26 LEU CB C 41.404 0.300 1 220 26 26 LEU CG C 27.353 0.300 1 221 26 26 LEU CD1 C 24.688 0.300 2 222 26 26 LEU CD2 C 23.417 0.300 2 223 26 26 LEU N N 121.137 0.300 1 224 27 27 VAL H H 6.847 0.030 1 225 27 27 VAL HA H 4.074 0.030 1 226 27 27 VAL HB H 1.756 0.030 1 227 27 27 VAL HG1 H 0.867 0.030 1 228 27 27 VAL HG2 H 0.865 0.030 1 229 27 27 VAL C C 175.284 0.300 1 230 27 27 VAL CA C 62.973 0.300 1 231 27 27 VAL CB C 35.060 0.300 1 232 27 27 VAL CG1 C 21.077 0.300 1 233 27 27 VAL CG2 C 21.077 0.300 1 234 27 27 VAL N N 114.477 0.300 1 235 28 28 VAL H H 8.232 0.030 1 236 28 28 VAL HA H 3.888 0.030 1 237 28 28 VAL HB H 1.667 0.030 1 238 28 28 VAL HG1 H 0.864 0.030 1 239 28 28 VAL HG2 H 0.838 0.030 1 240 28 28 VAL C C 174.430 0.300 1 241 28 28 VAL CA C 63.156 0.300 1 242 28 28 VAL CB C 32.016 0.300 1 243 28 28 VAL CG1 C 22.612 0.300 2 244 28 28 VAL CG2 C 21.478 0.300 2 245 28 28 VAL N N 121.704 0.300 1 246 29 29 LYS H H 8.923 0.030 1 247 29 29 LYS HA H 4.579 0.030 1 248 29 29 LYS HB2 H 2.068 0.030 2 249 29 29 LYS HB3 H 1.760 0.030 2 250 29 29 LYS HG2 H 1.508 0.030 2 251 29 29 LYS HG3 H 1.440 0.030 2 252 29 29 LYS HD2 H 1.664 0.030 2 253 29 29 LYS HD3 H 1.626 0.030 2 254 29 29 LYS HE2 H 2.956 0.030 1 255 29 29 LYS HE3 H 2.956 0.030 1 256 29 29 LYS C C 178.045 0.300 1 257 29 29 LYS CA C 53.832 0.300 1 258 29 29 LYS CB C 34.395 0.300 1 259 29 29 LYS CG C 24.532 0.300 1 260 29 29 LYS CD C 28.475 0.300 1 261 29 29 LYS CE C 41.863 0.300 1 262 29 29 LYS N N 124.399 0.300 1 263 30 30 LYS HA H 3.625 0.030 1 264 30 30 LYS HB2 H 1.852 0.030 2 265 30 30 LYS HB3 H 1.795 0.030 2 266 30 30 LYS HG2 H 1.275 0.030 1 267 30 30 LYS HG3 H 1.275 0.030 1 268 30 30 LYS HD2 H 1.687 0.030 2 269 30 30 LYS HD3 H 1.621 0.030 2 270 30 30 LYS HE2 H 3.014 0.030 1 271 30 30 LYS HE3 H 3.014 0.030 1 272 30 30 LYS C C 177.803 0.300 1 273 30 30 LYS CA C 61.447 0.300 1 274 30 30 LYS CB C 32.365 0.300 1 275 30 30 LYS CG C 24.688 0.300 1 276 30 30 LYS CD C 29.932 0.300 1 277 30 30 LYS CE C 42.141 0.300 1 278 31 31 SER H H 8.526 0.030 1 279 31 31 SER HA H 4.287 0.030 1 280 31 31 SER HB2 H 3.908 0.030 2 281 31 31 SER HB3 H 3.846 0.030 2 282 31 31 SER C C 177.685 0.300 1 283 31 31 SER CA C 61.166 0.300 1 284 31 31 SER CB C 61.667 0.300 1 285 31 31 SER N N 111.079 0.300 1 286 32 32 ASP H H 7.185 0.030 1 287 32 32 ASP HA H 4.530 0.030 1 288 32 32 ASP HB2 H 3.171 0.030 2 289 32 32 ASP HB3 H 2.674 0.030 2 290 32 32 ASP C C 178.291 0.300 1 291 32 32 ASP CA C 57.285 0.300 1 292 32 32 ASP CB C 41.693 0.300 1 293 32 32 ASP N N 122.323 0.300 1 294 33 33 VAL H H 7.760 0.030 1 295 33 33 VAL HA H 3.504 0.030 1 296 33 33 VAL HB H 2.202 0.030 1 297 33 33 VAL HG1 H 0.602 0.030 1 298 33 33 VAL HG2 H 0.722 0.030 1 299 33 33 VAL C C 178.641 0.300 1 300 33 33 VAL CA C 67.279 0.300 1 301 33 33 VAL CB C 31.351 0.300 1 302 33 33 VAL CG1 C 22.787 0.300 2 303 33 33 VAL CG2 C 23.572 0.300 2 304 33 33 VAL N N 119.968 0.300 1 305 34 34 GLU H H 8.619 0.030 1 306 34 34 GLU HA H 3.742 0.030 1 307 34 34 GLU HB2 H 2.091 0.030 2 308 34 34 GLU HB3 H 2.013 0.030 2 309 34 34 GLU HG2 H 2.486 0.030 2 310 34 34 GLU HG3 H 1.980 0.030 2 311 34 34 GLU C C 178.692 0.300 1 312 34 34 GLU CA C 60.521 0.300 1 313 34 34 GLU CB C 29.532 0.300 1 314 34 34 GLU CG C 37.967 0.300 1 315 34 34 GLU N N 119.016 0.300 1 316 35 35 ALA H H 7.830 0.030 1 317 35 35 ALA HA H 4.135 0.030 1 318 35 35 ALA HB H 1.583 0.030 1 319 35 35 ALA C C 180.409 0.300 1 320 35 35 ALA CA C 55.467 0.300 1 321 35 35 ALA CB C 18.108 0.300 1 322 35 35 ALA N N 121.328 0.300 1 323 36 36 ILE H H 7.671 0.030 1 324 36 36 ILE HA H 3.673 0.030 1 325 36 36 ILE HB H 1.701 0.030 1 326 36 36 ILE HG12 H 0.949 0.030 2 327 36 36 ILE HG13 H 1.868 0.030 2 328 36 36 ILE HG2 H 0.133 0.030 1 329 36 36 ILE HD1 H 0.764 0.030 1 330 36 36 ILE C C 178.615 0.300 1 331 36 36 ILE CA C 64.674 0.300 1 332 36 36 ILE CB C 39.704 0.300 1 333 36 36 ILE CG1 C 28.499 0.300 1 334 36 36 ILE CG2 C 16.749 0.300 1 335 36 36 ILE CD1 C 13.301 0.300 1 336 36 36 ILE N N 116.938 0.300 1 337 37 37 PHE H H 8.520 0.030 1 338 37 37 PHE HA H 4.363 0.030 1 339 37 37 PHE HB2 H 3.774 0.030 2 340 37 37 PHE HB3 H 2.856 0.030 2 341 37 37 PHE HD1 H 7.964 0.030 1 342 37 37 PHE HD2 H 7.964 0.030 1 343 37 37 PHE HE1 H 6.934 0.030 1 344 37 37 PHE HE2 H 6.934 0.030 1 345 37 37 PHE HZ H 7.052 0.030 1 346 37 37 PHE C C 179.632 0.300 1 347 37 37 PHE CA C 62.913 0.300 1 348 37 37 PHE CB C 37.107 0.300 1 349 37 37 PHE CD1 C 132.134 0.300 1 350 37 37 PHE CD2 C 132.134 0.300 1 351 37 37 PHE CE1 C 130.328 0.300 1 352 37 37 PHE CE2 C 130.328 0.300 1 353 37 37 PHE CZ C 129.019 0.300 1 354 37 37 PHE N N 113.591 0.300 1 355 38 38 SER H H 8.890 0.030 1 356 38 38 SER HA H 4.821 0.030 1 357 38 38 SER HB2 H 4.231 0.030 2 358 38 38 SER HB3 H 4.117 0.030 2 359 38 38 SER C C 175.130 0.300 1 360 38 38 SER CA C 61.427 0.300 1 361 38 38 SER CB C 62.797 0.300 1 362 38 38 SER N N 121.621 0.300 1 363 39 39 LYS H H 7.022 0.030 1 364 39 39 LYS HA H 3.966 0.030 1 365 39 39 LYS HB2 H 1.441 0.030 2 366 39 39 LYS HB3 H 1.255 0.030 2 367 39 39 LYS HG2 H 0.965 0.030 2 368 39 39 LYS HG3 H 0.818 0.030 2 369 39 39 LYS HD2 H 1.457 0.030 1 370 39 39 LYS HD3 H 1.457 0.030 1 371 39 39 LYS HE2 H 2.827 0.030 2 372 39 39 LYS HE3 H 2.768 0.030 2 373 39 39 LYS C C 177.138 0.300 1 374 39 39 LYS CA C 58.286 0.300 1 375 39 39 LYS CB C 31.610 0.300 1 376 39 39 LYS CG C 23.585 0.300 1 377 39 39 LYS CD C 28.938 0.300 1 378 39 39 LYS CE C 41.631 0.300 1 379 39 39 LYS N N 119.305 0.300 1 380 40 40 TYR H H 6.951 0.030 1 381 40 40 TYR HA H 4.249 0.030 1 382 40 40 TYR HB2 H 3.329 0.030 2 383 40 40 TYR HB3 H 2.628 0.030 2 384 40 40 TYR HD1 H 7.145 0.030 1 385 40 40 TYR HD2 H 7.145 0.030 1 386 40 40 TYR HE1 H 6.653 0.030 1 387 40 40 TYR HE2 H 6.653 0.030 1 388 40 40 TYR C C 174.704 0.300 1 389 40 40 TYR CA C 59.024 0.300 1 390 40 40 TYR CB C 38.341 0.300 1 391 40 40 TYR CD1 C 132.735 0.300 1 392 40 40 TYR CD2 C 132.735 0.300 1 393 40 40 TYR CE1 C 119.378 0.300 1 394 40 40 TYR CE2 C 119.378 0.300 1 395 40 40 TYR N N 114.337 0.300 1 396 41 41 GLY H H 7.413 0.030 1 397 41 41 GLY HA2 H 4.417 0.030 2 398 41 41 GLY HA3 H 3.886 0.030 2 399 41 41 GLY C C 170.510 0.300 1 400 41 41 GLY CA C 44.535 0.300 1 401 41 41 GLY N N 106.468 0.300 1 402 42 42 LYS H H 7.999 0.030 1 403 42 42 LYS HA H 4.203 0.030 1 404 42 42 LYS HB2 H 1.839 0.030 2 405 42 42 LYS HB3 H 1.778 0.030 2 406 42 42 LYS HG2 H 1.417 0.030 2 407 42 42 LYS HG3 H 1.246 0.030 2 408 42 42 LYS HD2 H 1.729 0.030 1 409 42 42 LYS HD3 H 1.729 0.030 1 410 42 42 LYS HE2 H 2.984 0.030 1 411 42 42 LYS HE3 H 2.984 0.030 1 412 42 42 LYS C C 176.488 0.300 1 413 42 42 LYS CA C 57.157 0.300 1 414 42 42 LYS CB C 32.995 0.300 1 415 42 42 LYS CG C 24.804 0.300 1 416 42 42 LYS CD C 29.387 0.300 1 417 42 42 LYS CE C 42.141 0.300 1 418 42 42 LYS N N 117.907 0.300 1 419 43 43 ILE H H 8.643 0.030 1 420 43 43 ILE HA H 4.068 0.030 1 421 43 43 ILE HB H 1.721 0.030 1 422 43 43 ILE HG12 H 1.805 0.030 2 423 43 43 ILE HG13 H 0.484 0.030 2 424 43 43 ILE HG2 H 0.649 0.030 1 425 43 43 ILE HD1 H 0.746 0.030 1 426 43 43 ILE C C 177.112 0.300 1 427 43 43 ILE CA C 61.033 0.300 1 428 43 43 ILE CB C 38.716 0.300 1 429 43 43 ILE CG1 C 27.424 0.300 1 430 43 43 ILE CG2 C 17.867 0.300 1 431 43 43 ILE CD1 C 14.056 0.300 1 432 43 43 ILE N N 126.941 0.300 1 433 44 44 VAL H H 8.807 0.030 1 434 44 44 VAL HA H 4.141 0.030 1 435 44 44 VAL HB H 1.928 0.030 1 436 44 44 VAL HG1 H 0.820 0.030 1 437 44 44 VAL HG2 H 0.690 0.030 1 438 44 44 VAL C C 176.232 0.300 1 439 44 44 VAL CA C 62.336 0.300 1 440 44 44 VAL CB C 32.230 0.300 1 441 44 44 VAL CG1 C 21.378 0.300 2 442 44 44 VAL CG2 C 20.490 0.300 2 443 44 44 VAL N N 124.971 0.300 1 444 45 45 GLY H H 7.241 0.030 1 445 45 45 GLY HA2 H 3.870 0.030 2 446 45 45 GLY HA3 H 4.155 0.030 2 447 45 45 GLY C C 170.825 0.300 1 448 45 45 GLY CA C 45.551 0.300 1 449 45 45 GLY N N 107.873 0.300 1 450 46 46 CYS HA H 5.123 0.030 1 451 46 46 CYS HB2 H 2.912 0.030 2 452 46 46 CYS HB3 H 2.629 0.030 2 453 46 46 CYS C C 172.497 0.300 1 454 46 46 CYS CA C 57.457 0.300 1 455 46 46 CYS CB C 28.610 0.300 1 456 47 47 SER H H 8.767 0.030 1 457 47 47 SER HA H 4.712 0.030 1 458 47 47 SER HB2 H 3.771 0.030 2 459 47 47 SER HB3 H 3.710 0.030 2 460 47 47 SER C C 171.962 0.300 1 461 47 47 SER CA C 57.041 0.300 1 462 47 47 SER CB C 65.097 0.300 1 463 47 47 SER N N 122.143 0.300 1 464 48 48 VAL H H 8.496 0.030 1 465 48 48 VAL HA H 4.048 0.030 1 466 48 48 VAL HB H 1.867 0.030 1 467 48 48 VAL HG1 H 0.934 0.030 1 468 48 48 VAL HG2 H 0.681 0.030 1 469 48 48 VAL C C 174.054 0.300 1 470 48 48 VAL CA C 62.172 0.300 1 471 48 48 VAL CB C 33.390 0.300 1 472 48 48 VAL CG1 C 22.481 0.300 2 473 48 48 VAL CG2 C 21.397 0.300 2 474 48 48 VAL N N 122.381 0.300 1 475 49 49 HIS H H 8.399 0.030 1 476 49 49 HIS HA H 4.585 0.030 1 477 49 49 HIS HB2 H 2.709 0.030 2 478 49 49 HIS HB3 H 0.841 0.030 2 479 49 49 HIS HD2 H 6.338 0.030 1 480 49 49 HIS HE1 H 7.733 0.030 1 481 49 49 HIS C C 173.730 0.300 1 482 49 49 HIS CA C 54.410 0.300 1 483 49 49 HIS CB C 29.852 0.300 1 484 49 49 HIS CD2 C 125.139 0.300 1 485 49 49 HIS CE1 C 138.624 0.300 1 486 49 49 HIS N N 129.100 0.300 1 487 50 50 LYS H H 7.751 0.030 1 488 50 50 LYS HA H 4.414 0.030 1 489 50 50 LYS HB2 H 1.951 0.030 2 490 50 50 LYS HB3 H 1.779 0.030 2 491 50 50 LYS HG2 H 1.450 0.030 2 492 50 50 LYS HG3 H 1.330 0.030 2 493 50 50 LYS HD2 H 1.723 0.030 1 494 50 50 LYS HD3 H 1.723 0.030 1 495 50 50 LYS HE2 H 2.990 0.030 1 496 50 50 LYS HE3 H 2.990 0.030 1 497 50 50 LYS C C 175.660 0.300 1 498 50 50 LYS CA C 56.523 0.300 1 499 50 50 LYS CB C 30.744 0.300 1 500 50 50 LYS CG C 24.888 0.300 1 501 50 50 LYS CD C 29.302 0.300 1 502 50 50 LYS CE C 42.141 0.300 1 503 50 50 LYS N N 121.605 0.300 1 504 51 51 GLY H H 8.574 0.030 1 505 51 51 GLY HA2 H 4.472 0.030 2 506 51 51 GLY HA3 H 4.394 0.030 2 507 51 51 GLY C C 173.935 0.300 1 508 51 51 GLY CA C 45.591 0.300 1 509 51 51 GLY N N 115.231 0.300 1 510 52 52 PHE H H 7.100 0.030 1 511 52 52 PHE HA H 5.248 0.030 1 512 52 52 PHE HB2 H 3.352 0.030 2 513 52 52 PHE HB3 H 2.626 0.030 2 514 52 52 PHE HD1 H 6.748 0.030 1 515 52 52 PHE HD2 H 6.748 0.030 1 516 52 52 PHE HE1 H 7.181 0.030 1 517 52 52 PHE HE2 H 7.181 0.030 1 518 52 52 PHE HZ H 7.169 0.030 1 519 52 52 PHE C C 171.671 0.300 1 520 52 52 PHE CA C 55.804 0.300 1 521 52 52 PHE CB C 40.924 0.300 1 522 52 52 PHE CD1 C 132.946 0.300 1 523 52 52 PHE CD2 C 132.946 0.300 1 524 52 52 PHE CE1 C 131.592 0.300 1 525 52 52 PHE CE2 C 131.592 0.300 1 526 52 52 PHE CZ C 129.922 0.300 1 527 52 52 PHE N N 113.333 0.300 1 528 53 53 ALA H H 8.732 0.030 1 529 53 53 ALA HA H 4.966 0.030 1 530 53 53 ALA HB H 1.138 0.030 1 531 53 53 ALA C C 173.746 0.300 1 532 53 53 ALA CA C 50.266 0.300 1 533 53 53 ALA CB C 24.476 0.300 1 534 53 53 ALA N N 120.001 0.300 1 535 54 54 PHE H H 8.882 0.030 1 536 54 54 PHE HA H 5.825 0.030 1 537 54 54 PHE HB2 H 2.905 0.030 2 538 54 54 PHE HB3 H 2.865 0.030 2 539 54 54 PHE HD1 H 7.292 0.030 1 540 54 54 PHE HD2 H 7.292 0.030 1 541 54 54 PHE HE1 H 7.410 0.030 1 542 54 54 PHE HE2 H 7.410 0.030 1 543 54 54 PHE HZ H 7.333 0.030 1 544 54 54 PHE C C 175.993 0.300 1 545 54 54 PHE CA C 56.693 0.300 1 546 54 54 PHE CB C 44.120 0.300 1 547 54 54 PHE CD1 C 131.818 0.300 1 548 54 54 PHE CD2 C 131.818 0.300 1 549 54 54 PHE CE1 C 131.637 0.300 1 550 54 54 PHE CE2 C 131.637 0.300 1 551 54 54 PHE CZ C 129.922 0.300 1 552 54 54 PHE N N 114.362 0.300 1 553 55 55 VAL H H 8.600 0.030 1 554 55 55 VAL HA H 4.336 0.030 1 555 55 55 VAL HB H 1.414 0.030 1 556 55 55 VAL HG1 H 0.422 0.030 1 557 55 55 VAL HG2 H 0.358 0.030 1 558 55 55 VAL C C 172.893 0.300 1 559 55 55 VAL CA C 61.345 0.300 1 560 55 55 VAL CB C 35.518 0.300 1 561 55 55 VAL CG1 C 22.255 0.300 2 562 55 55 VAL CG2 C 22.260 0.300 2 563 55 55 VAL N N 118.206 0.300 1 564 56 56 GLN H H 8.753 0.030 1 565 56 56 GLN HA H 4.804 0.030 1 566 56 56 GLN HB2 H 1.885 0.030 2 567 56 56 GLN HB3 H 1.767 0.030 2 568 56 56 GLN HG2 H 2.277 0.030 2 569 56 56 GLN HG3 H 2.103 0.030 2 570 56 56 GLN HE21 H 7.603 0.030 2 571 56 56 GLN HE22 H 7.131 0.030 2 572 56 56 GLN C C 174.242 0.300 1 573 56 56 GLN CA C 54.305 0.300 1 574 56 56 GLN CB C 31.041 0.300 1 575 56 56 GLN CG C 33.615 0.300 1 576 56 56 GLN N N 127.147 0.300 1 577 56 56 GLN NE2 N 115.366 0.300 1 578 57 57 TYR H H 8.662 0.030 1 579 57 57 TYR HA H 5.229 0.030 1 580 57 57 TYR HB2 H 3.672 0.030 2 581 57 57 TYR HB3 H 3.020 0.030 2 582 57 57 TYR HD1 H 6.999 0.030 1 583 57 57 TYR HD2 H 6.999 0.030 1 584 57 57 TYR HE1 H 6.619 0.030 1 585 57 57 TYR HE2 H 6.619 0.030 1 586 57 57 TYR C C 176.053 0.300 1 587 57 57 TYR CA C 58.257 0.300 1 588 57 57 TYR CB C 41.431 0.300 1 589 57 57 TYR CD1 C 132.574 0.300 1 590 57 57 TYR CD2 C 132.574 0.300 1 591 57 57 TYR CE1 C 117.790 0.300 1 592 57 57 TYR CE2 C 117.790 0.300 1 593 57 57 TYR N N 126.093 0.300 1 594 58 58 VAL H H 9.320 0.030 1 595 58 58 VAL HA H 3.987 0.030 1 596 58 58 VAL HB H 2.231 0.030 1 597 58 58 VAL HG1 H 1.045 0.030 1 598 58 58 VAL HG2 H 1.083 0.030 1 599 58 58 VAL C C 175.814 0.300 1 600 58 58 VAL CA C 64.482 0.300 1 601 58 58 VAL CB C 32.650 0.300 1 602 58 58 VAL CG1 C 21.693 0.300 2 603 58 58 VAL CG2 C 22.145 0.300 2 604 58 58 VAL N N 117.240 0.300 1 605 59 59 ASN H H 7.354 0.030 1 606 59 59 ASN HA H 5.084 0.030 1 607 59 59 ASN HB2 H 3.030 0.030 2 608 59 59 ASN HB3 H 2.941 0.030 2 609 59 59 ASN HD21 H 7.717 0.030 2 610 59 59 ASN HD22 H 6.860 0.030 2 611 59 59 ASN C C 174.567 0.300 1 612 59 59 ASN CA C 52.118 0.300 1 613 59 59 ASN CB C 42.124 0.300 1 614 59 59 ASN N N 112.613 0.300 1 615 59 59 ASN ND2 N 114.170 0.300 1 616 60 60 GLU H H 8.775 0.030 1 617 60 60 GLU HA H 4.164 0.030 1 618 60 60 GLU HB2 H 2.104 0.030 2 619 60 60 GLU HB3 H 1.913 0.030 2 620 60 60 GLU HG2 H 2.581 0.030 2 621 60 60 GLU HG3 H 2.176 0.030 2 622 60 60 GLU C C 177.898 0.300 1 623 60 60 GLU CA C 58.667 0.300 1 624 60 60 GLU CB C 30.220 0.300 1 625 60 60 GLU CG C 36.022 0.300 1 626 60 60 GLU N N 123.072 0.300 1 627 61 61 ARG H H 8.603 0.030 1 628 61 61 ARG HA H 3.968 0.030 1 629 61 61 ARG HB2 H 1.886 0.030 2 630 61 61 ARG HB3 H 1.767 0.030 2 631 61 61 ARG HG2 H 1.686 0.030 2 632 61 61 ARG HG3 H 1.606 0.030 2 633 61 61 ARG HD2 H 3.224 0.030 1 634 61 61 ARG HD3 H 3.224 0.030 1 635 61 61 ARG C C 179.341 0.300 1 636 61 61 ARG CA C 59.648 0.300 1 637 61 61 ARG CB C 29.408 0.300 1 638 61 61 ARG CG C 27.129 0.300 1 639 61 61 ARG CD C 43.345 0.300 1 640 61 61 ARG N N 119.731 0.300 1 641 62 62 ASN H H 7.843 0.030 1 642 62 62 ASN HA H 4.278 0.030 1 643 62 62 ASN HB2 H 2.465 0.030 2 644 62 62 ASN HB3 H 2.335 0.030 2 645 62 62 ASN HD21 H 7.873 0.030 2 646 62 62 ASN HD22 H 7.028 0.030 2 647 62 62 ASN C C 175.002 0.300 1 648 62 62 ASN CA C 56.191 0.300 1 649 62 62 ASN CB C 38.642 0.300 1 650 62 62 ASN N N 118.405 0.300 1 651 62 62 ASN ND2 N 109.686 0.300 1 652 63 63 ALA H H 6.753 0.030 1 653 63 63 ALA HA H 3.700 0.030 1 654 63 63 ALA HB H 1.453 0.030 1 655 63 63 ALA C C 178.820 0.300 1 656 63 63 ALA CA C 55.012 0.300 1 657 63 63 ALA CB C 18.670 0.300 1 658 63 63 ALA N N 119.751 0.300 1 659 64 64 ARG H H 8.603 0.030 1 660 64 64 ARG HA H 3.805 0.030 1 661 64 64 ARG HB2 H 1.945 0.030 2 662 64 64 ARG HB3 H 1.720 0.030 2 663 64 64 ARG HG2 H 1.818 0.030 2 664 64 64 ARG HG3 H 1.775 0.030 2 665 64 64 ARG HD2 H 3.130 0.030 2 666 64 64 ARG HD3 H 3.239 0.030 2 667 64 64 ARG C C 179.632 0.300 1 668 64 64 ARG CA C 60.122 0.300 1 669 64 64 ARG CB C 29.933 0.300 1 670 64 64 ARG CG C 29.803 0.300 1 671 64 64 ARG CD C 43.144 0.300 1 672 64 64 ARG N N 115.098 0.300 1 673 65 65 ALA H H 7.710 0.030 1 674 65 65 ALA HA H 4.102 0.030 1 675 65 65 ALA HB H 1.646 0.030 1 676 65 65 ALA C C 179.581 0.300 1 677 65 65 ALA CA C 54.931 0.300 1 678 65 65 ALA CB C 17.927 0.300 1 679 65 65 ALA N N 123.121 0.300 1 680 66 66 ALA H H 7.534 0.030 1 681 66 66 ALA HA H 2.069 0.030 1 682 66 66 ALA HB H 1.463 0.030 1 683 66 66 ALA C C 179.205 0.300 1 684 66 66 ALA CA C 54.298 0.300 1 685 66 66 ALA CB C 19.321 0.300 1 686 66 66 ALA N N 123.768 0.300 1 687 67 67 VAL H H 7.599 0.030 1 688 67 67 VAL HA H 3.366 0.030 1 689 67 67 VAL HB H 2.081 0.030 1 690 67 67 VAL HG1 H 1.014 0.030 1 691 67 67 VAL HG2 H 0.956 0.030 1 692 67 67 VAL C C 177.710 0.300 1 693 67 67 VAL CA C 66.421 0.300 1 694 67 67 VAL CB C 31.890 0.300 1 695 67 67 VAL CG1 C 22.953 0.300 2 696 67 67 VAL CG2 C 21.658 0.300 2 697 67 67 VAL N N 116.439 0.300 1 698 68 68 ALA H H 7.513 0.030 1 699 68 68 ALA HA H 4.127 0.030 1 700 68 68 ALA HB H 1.423 0.030 1 701 68 68 ALA C C 180.820 0.300 1 702 68 68 ALA CA C 54.248 0.300 1 703 68 68 ALA CB C 18.217 0.300 1 704 68 68 ALA N N 117.917 0.300 1 705 69 69 GLY H H 8.168 0.030 1 706 69 69 GLY HA2 H 3.986 0.030 1 707 69 69 GLY HA3 H 3.986 0.030 1 708 69 69 GLY C C 175.668 0.300 1 709 69 69 GLY CA C 46.168 0.300 1 710 69 69 GLY N N 104.000 0.300 1 711 70 70 GLU H H 7.604 0.030 1 712 70 70 GLU HA H 4.623 0.030 1 713 70 70 GLU HB2 H 1.593 0.030 2 714 70 70 GLU HB3 H 2.258 0.030 2 715 70 70 GLU HG2 H 2.078 0.030 2 716 70 70 GLU HG3 H 1.602 0.030 2 717 70 70 GLU C C 176.173 0.300 1 718 70 70 GLU CA C 55.014 0.300 1 719 70 70 GLU CB C 30.947 0.300 1 720 70 70 GLU CG C 34.819 0.300 1 721 70 70 GLU N N 114.614 0.300 1 722 71 71 ASP H H 7.784 0.030 1 723 71 71 ASP HA H 4.290 0.030 1 724 71 71 ASP HB2 H 3.076 0.030 2 725 71 71 ASP HB3 H 2.594 0.030 2 726 71 71 ASP C C 178.624 0.300 1 727 71 71 ASP CA C 57.426 0.300 1 728 71 71 ASP CB C 41.387 0.300 1 729 71 71 ASP N N 118.114 0.300 1 730 72 72 GLY H H 8.324 0.030 1 731 72 72 GLY HA2 H 4.189 0.030 2 732 72 72 GLY HA3 H 3.665 0.030 2 733 72 72 GLY C C 173.849 0.300 1 734 72 72 GLY CA C 45.745 0.300 1 735 72 72 GLY N N 114.348 0.300 1 736 73 73 ARG H H 7.999 0.030 1 737 73 73 ARG HA H 4.178 0.030 1 738 73 73 ARG HB2 H 2.093 0.030 2 739 73 73 ARG HB3 H 1.838 0.030 2 740 73 73 ARG HG2 H 1.685 0.030 2 741 73 73 ARG HG3 H 1.512 0.030 2 742 73 73 ARG HD2 H 3.331 0.030 2 743 73 73 ARG HD3 H 3.150 0.030 2 744 73 73 ARG HE H 7.370 0.030 1 745 73 73 ARG C C 175.019 0.300 1 746 73 73 ARG CA C 56.547 0.300 1 747 73 73 ARG CB C 31.110 0.300 1 748 73 73 ARG CG C 27.562 0.300 1 749 73 73 ARG CD C 43.783 0.300 1 750 73 73 ARG N N 121.950 0.300 1 751 73 73 ARG NE N 84.959 0.300 1 752 74 74 MET H H 8.653 0.030 1 753 74 74 MET HA H 4.908 0.030 1 754 74 74 MET HB2 H 2.027 0.030 2 755 74 74 MET HB3 H 1.913 0.030 2 756 74 74 MET HG2 H 2.297 0.030 2 757 74 74 MET HG3 H 2.160 0.030 2 758 74 74 MET HE H 1.977 0.030 1 759 74 74 MET C C 175.848 0.300 1 760 74 74 MET CA C 54.971 0.300 1 761 74 74 MET CB C 33.384 0.300 1 762 74 74 MET CG C 32.010 0.300 1 763 74 74 MET CE C 17.121 0.300 1 764 74 74 MET N N 124.845 0.300 1 765 75 75 ILE H H 8.625 0.030 1 766 75 75 ILE HA H 4.390 0.030 1 767 75 75 ILE HB H 1.810 0.030 1 768 75 75 ILE HG12 H 1.487 0.030 2 769 75 75 ILE HG13 H 1.143 0.030 2 770 75 75 ILE HG2 H 0.875 0.030 1 771 75 75 ILE HD1 H 0.830 0.030 1 772 75 75 ILE C C 175.319 0.300 1 773 75 75 ILE CA C 59.989 0.300 1 774 75 75 ILE CB C 40.473 0.300 1 775 75 75 ILE CG1 C 27.358 0.300 1 776 75 75 ILE CG2 C 16.864 0.300 1 777 75 75 ILE CD1 C 12.482 0.300 1 778 75 75 ILE N N 126.676 0.300 1 779 76 76 ALA H H 9.487 0.030 1 780 76 76 ALA HA H 4.052 0.030 1 781 76 76 ALA HB H 1.407 0.030 1 782 76 76 ALA C C 177.180 0.300 1 783 76 76 ALA CA C 52.925 0.300 1 784 76 76 ALA CB C 17.256 0.300 1 785 76 76 ALA N N 131.970 0.300 1 786 77 77 GLY H H 8.449 0.030 1 787 77 77 GLY HA2 H 4.169 0.030 2 788 77 77 GLY HA3 H 3.705 0.030 2 789 77 77 GLY C C 174.106 0.300 1 790 77 77 GLY CA C 45.781 0.300 1 791 77 77 GLY N N 101.873 0.300 1 792 78 78 GLN H H 7.723 0.030 1 793 78 78 GLN HA H 4.770 0.030 1 794 78 78 GLN HB2 H 2.222 0.030 2 795 78 78 GLN HB3 H 2.034 0.030 2 796 78 78 GLN HG2 H 2.411 0.030 2 797 78 78 GLN HG3 H 2.266 0.030 2 798 78 78 GLN HE21 H 6.638 0.030 2 799 78 78 GLN HE22 H 6.993 0.030 2 800 78 78 GLN C C 174.046 0.300 1 801 78 78 GLN CA C 54.284 0.300 1 802 78 78 GLN CB C 32.011 0.300 1 803 78 78 GLN CG C 34.739 0.300 1 804 78 78 GLN N N 118.843 0.300 1 805 78 78 GLN NE2 N 110.076 0.300 1 806 79 79 VAL H H 8.602 0.030 1 807 79 79 VAL HA H 4.049 0.030 1 808 79 79 VAL HB H 1.904 0.030 1 809 79 79 VAL HG1 H 0.957 0.030 1 810 79 79 VAL HG2 H 0.874 0.030 1 811 79 79 VAL C C 176.608 0.300 1 812 79 79 VAL CA C 62.680 0.300 1 813 79 79 VAL CB C 32.017 0.300 1 814 79 79 VAL CG1 C 22.178 0.300 2 815 79 79 VAL CG2 C 21.137 0.300 2 816 79 79 VAL N N 123.349 0.300 1 817 80 80 LEU H H 9.017 0.030 1 818 80 80 LEU HA H 4.398 0.030 1 819 80 80 LEU HB2 H 2.135 0.030 2 820 80 80 LEU HB3 H 1.325 0.030 2 821 80 80 LEU HG H 2.134 0.030 1 822 80 80 LEU HD1 H 1.002 0.030 1 823 80 80 LEU HD2 H 0.787 0.030 1 824 80 80 LEU C C 176.540 0.300 1 825 80 80 LEU CA C 56.017 0.300 1 826 80 80 LEU CB C 42.787 0.300 1 827 80 80 LEU CG C 26.603 0.300 1 828 80 80 LEU CD1 C 25.623 0.300 2 829 80 80 LEU CD2 C 23.335 0.300 2 830 80 80 LEU N N 128.799 0.300 1 831 81 81 ASP H H 7.714 0.030 1 832 81 81 ASP HA H 5.080 0.030 1 833 81 81 ASP HB2 H 2.636 0.030 2 834 81 81 ASP HB3 H 2.515 0.030 2 835 81 81 ASP C C 174.780 0.300 1 836 81 81 ASP CA C 52.663 0.300 1 837 81 81 ASP CB C 42.348 0.300 1 838 81 81 ASP N N 123.519 0.300 1 839 82 82 ILE H H 8.950 0.030 1 840 82 82 ILE HA H 5.331 0.030 1 841 82 82 ILE HB H 1.741 0.030 1 842 82 82 ILE HG12 H 1.713 0.030 2 843 82 82 ILE HG13 H 1.146 0.030 2 844 82 82 ILE HG2 H 0.949 0.030 1 845 82 82 ILE HD1 H 1.034 0.030 1 846 82 82 ILE C C 174.584 0.300 1 847 82 82 ILE CA C 59.398 0.300 1 848 82 82 ILE CB C 39.871 0.300 1 849 82 82 ILE CG1 C 28.031 0.300 1 850 82 82 ILE CG2 C 19.350 0.300 1 851 82 82 ILE CD1 C 15.295 0.300 1 852 82 82 ILE N N 124.760 0.300 1 853 83 83 ASN H H 8.821 0.030 1 854 83 83 ASN HA H 4.941 0.030 1 855 83 83 ASN HB2 H 2.856 0.030 1 856 83 83 ASN HB3 H 2.856 0.030 1 857 83 83 ASN HD21 H 7.169 0.030 2 858 83 83 ASN HD22 H 6.742 0.030 2 859 83 83 ASN C C 174.165 0.300 1 860 83 83 ASN CA C 52.466 0.300 1 861 83 83 ASN CB C 42.922 0.300 1 862 83 83 ASN N N 119.955 0.300 1 863 83 83 ASN ND2 N 113.971 0.300 1 864 84 84 LEU H H 9.070 0.030 1 865 84 84 LEU HA H 4.607 0.030 1 866 84 84 LEU HB2 H 1.768 0.030 2 867 84 84 LEU HB3 H 1.635 0.030 2 868 84 84 LEU HG H 1.780 0.030 1 869 84 84 LEU HD1 H 0.928 0.030 1 870 84 84 LEU HD2 H 0.825 0.030 1 871 84 84 LEU C C 178.718 0.300 1 872 84 84 LEU CA C 55.635 0.300 1 873 84 84 LEU CB C 41.983 0.300 1 874 84 84 LEU CG C 27.581 0.300 1 875 84 84 LEU CD1 C 25.290 0.300 2 876 84 84 LEU CD2 C 24.186 0.300 2 877 84 84 LEU N N 122.139 0.300 1 878 85 85 ALA H H 9.019 0.030 1 879 85 85 ALA HA H 4.172 0.030 1 880 85 85 ALA HB H 1.473 0.030 1 881 85 85 ALA C C 177.283 0.300 1 882 85 85 ALA CA C 53.903 0.300 1 883 85 85 ALA CB C 18.939 0.300 1 884 85 85 ALA N N 127.637 0.300 1 885 86 86 ALA H H 8.041 0.030 1 886 86 86 ALA HA H 4.301 0.030 1 887 86 86 ALA HB H 1.337 0.030 1 888 86 86 ALA C C 176.882 0.300 1 889 86 86 ALA CA C 52.077 0.300 1 890 86 86 ALA CB C 19.894 0.300 1 891 86 86 ALA N N 119.010 0.300 1 892 87 87 GLU H H 7.950 0.030 1 893 87 87 GLU HA H 4.540 0.030 1 894 87 87 GLU HB2 H 1.997 0.030 2 895 87 87 GLU HB3 H 1.855 0.030 2 896 87 87 GLU HG2 H 2.222 0.030 2 897 87 87 GLU HG3 H 2.156 0.030 2 898 87 87 GLU C C 173.340 0.300 1 899 87 87 GLU CA C 53.811 0.300 1 900 87 87 GLU CB C 30.218 0.300 1 901 87 87 GLU CG C 35.902 0.300 1 902 87 87 GLU N N 119.663 0.300 1 903 88 88 PRO HA H 4.283 0.030 1 904 88 88 PRO HB2 H 2.129 0.030 2 905 88 88 PRO HB3 H 1.787 0.030 2 906 88 88 PRO HG2 H 1.913 0.030 2 907 88 88 PRO HG3 H 1.866 0.030 2 908 88 88 PRO HD2 H 3.577 0.030 2 909 88 88 PRO HD3 H 3.532 0.030 2 910 88 88 PRO C C 176.848 0.300 1 911 88 88 PRO CA C 62.999 0.300 1 912 88 88 PRO CB C 31.990 0.300 1 913 88 88 PRO CG C 27.311 0.300 1 914 88 88 PRO CD C 50.370 0.300 1 915 89 89 LYS H H 8.277 0.030 1 916 89 89 LYS HA H 4.231 0.030 1 917 89 89 LYS HB2 H 1.759 0.030 2 918 89 89 LYS HB3 H 1.681 0.030 2 919 89 89 LYS HG2 H 1.441 0.030 2 920 89 89 LYS HG3 H 1.371 0.030 2 921 89 89 LYS HD2 H 1.703 0.030 1 922 89 89 LYS HD3 H 1.703 0.030 1 923 89 89 LYS HE2 H 3.014 0.030 1 924 89 89 LYS HE3 H 3.014 0.030 1 925 89 89 LYS C C 176.856 0.300 1 926 89 89 LYS CA C 56.575 0.300 1 927 89 89 LYS CB C 33.040 0.300 1 928 89 89 LYS CG C 25.124 0.300 1 929 89 89 LYS CD C 29.202 0.300 1 930 89 89 LYS CE C 42.241 0.300 1 931 89 89 LYS N N 121.463 0.300 1 932 90 90 VAL H H 8.089 0.030 1 933 90 90 VAL HA H 4.042 0.030 1 934 90 90 VAL HB H 1.998 0.030 1 935 90 90 VAL HG1 H 0.881 0.030 1 936 90 90 VAL HG2 H 0.881 0.030 1 937 90 90 VAL C C 175.677 0.300 1 938 90 90 VAL CA C 62.147 0.300 1 939 90 90 VAL CB C 32.935 0.300 1 940 90 90 VAL CG1 C 20.486 0.300 1 941 90 90 VAL CG2 C 20.486 0.300 1 942 90 90 VAL N N 120.882 0.300 1 943 91 91 ASN H H 8.498 0.030 1 944 91 91 ASN HA H 4.676 0.030 1 945 91 91 ASN HB2 H 2.816 0.030 2 946 91 91 ASN HB3 H 2.721 0.030 2 947 91 91 ASN HD21 H 7.579 0.030 2 948 91 91 ASN HD22 H 6.884 0.030 2 949 91 91 ASN C C 175.154 0.300 1 950 91 91 ASN CA C 53.170 0.300 1 951 91 91 ASN CB C 38.770 0.300 1 952 91 91 ASN N N 122.448 0.300 1 953 91 91 ASN ND2 N 112.825 0.300 1 954 95 95 PRO HA H 4.466 0.030 1 955 95 95 PRO HB2 H 2.289 0.030 2 956 95 95 PRO HB3 H 1.981 0.030 2 957 95 95 PRO HG2 H 2.005 0.030 1 958 95 95 PRO HG3 H 2.005 0.030 1 959 95 95 PRO HD2 H 3.609 0.030 1 960 95 95 PRO HD3 H 3.609 0.030 1 961 95 95 PRO CA C 63.296 0.300 1 962 95 95 PRO CB C 32.071 0.300 1 963 95 95 PRO CG C 27.137 0.300 1 964 95 95 PRO CD C 49.811 0.300 1 stop_ save_