data_10322 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 12th filamin domain from human Filamin-B ; _BMRB_accession_number 10322 _BMRB_flat_file_name bmr10322.str _Entry_type new _Submission_date 2009-04-02 _Accession_date 2009-04-02 _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 549 "13C chemical shifts" 416 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-07 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 12th filamin domain from human Filamin-B' _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Filamin-B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Filamin domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Filamin domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; GSSGSSGGCQPSRVQAQGPG LKEAFTNKPNVFTVVTRGAG IGGLGITVEGPSESKINCRD NKDGSCSAEYIPFAPGDYDV NITYGGAHIPGSPFRVPVKD VVDPS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 CYS 10 GLN 11 PRO 12 SER 13 ARG 14 VAL 15 GLN 16 ALA 17 GLN 18 GLY 19 PRO 20 GLY 21 LEU 22 LYS 23 GLU 24 ALA 25 PHE 26 THR 27 ASN 28 LYS 29 PRO 30 ASN 31 VAL 32 PHE 33 THR 34 VAL 35 VAL 36 THR 37 ARG 38 GLY 39 ALA 40 GLY 41 ILE 42 GLY 43 GLY 44 LEU 45 GLY 46 ILE 47 THR 48 VAL 49 GLU 50 GLY 51 PRO 52 SER 53 GLU 54 SER 55 LYS 56 ILE 57 ASN 58 CYS 59 ARG 60 ASP 61 ASN 62 LYS 63 ASP 64 GLY 65 SER 66 CYS 67 SER 68 ALA 69 GLU 70 TYR 71 ILE 72 PRO 73 PHE 74 ALA 75 PRO 76 GLY 77 ASP 78 TYR 79 ASP 80 VAL 81 ASN 82 ILE 83 THR 84 TYR 85 GLY 86 GLY 87 ALA 88 HIS 89 ILE 90 PRO 91 GLY 92 SER 93 PRO 94 PHE 95 ARG 96 VAL 97 PRO 98 VAL 99 LYS 100 ASP 101 VAL 102 VAL 103 ASP 104 PRO 105 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 2DIC "Solution Structure Of The 12th Filamin Domain From Human Filamin-B" 100.00 105 100.00 100.00 1.71e-67 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 P060123-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.18 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRview _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9742 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Filamin domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.815 0.030 2 2 1 1 GLY CA C 43.689 0.300 1 3 7 7 GLY HA2 H 3.971 0.030 1 4 7 7 GLY HA3 H 3.971 0.030 1 5 7 7 GLY C C 174.664 0.300 1 6 7 7 GLY CA C 45.378 0.300 1 7 8 8 GLY H H 8.270 0.030 1 8 8 8 GLY HA2 H 3.977 0.030 1 9 8 8 GLY HA3 H 3.977 0.030 1 10 8 8 GLY C C 173.412 0.300 1 11 8 8 GLY CA C 45.254 0.300 1 12 8 8 GLY N N 108.621 0.300 1 13 9 9 CYS H H 8.251 0.030 1 14 9 9 CYS HA H 4.675 0.030 1 15 9 9 CYS HB2 H 2.750 0.030 2 16 9 9 CYS HB3 H 2.976 0.030 2 17 9 9 CYS C C 174.560 0.300 1 18 9 9 CYS CA C 58.725 0.300 1 19 9 9 CYS CB C 28.496 0.300 1 20 9 9 CYS N N 120.217 0.300 1 21 10 10 GLN H H 8.934 0.030 1 22 10 10 GLN HA H 4.934 0.030 1 23 10 10 GLN HB2 H 1.853 0.030 2 24 10 10 GLN HB3 H 1.951 0.030 2 25 10 10 GLN HE21 H 7.496 0.030 2 26 10 10 GLN HE22 H 6.747 0.030 2 27 10 10 GLN HG2 H 2.237 0.030 1 28 10 10 GLN HG3 H 2.237 0.030 1 29 10 10 GLN C C 173.509 0.300 1 30 10 10 GLN CA C 52.996 0.300 1 31 10 10 GLN CB C 29.742 0.300 1 32 10 10 GLN CG C 33.148 0.300 1 33 10 10 GLN N N 125.611 0.300 1 34 10 10 GLN NE2 N 111.868 0.300 1 35 11 11 PRO HA H 4.182 0.030 1 36 11 11 PRO HB2 H 1.991 0.030 2 37 11 11 PRO HB3 H 2.482 0.030 2 38 11 11 PRO HD2 H 3.746 0.030 2 39 11 11 PRO HD3 H 3.863 0.030 2 40 11 11 PRO HG2 H 2.160 0.030 2 41 11 11 PRO HG3 H 2.118 0.030 2 42 11 11 PRO C C 176.828 0.300 1 43 11 11 PRO CA C 65.103 0.300 1 44 11 11 PRO CB C 31.787 0.300 1 45 11 11 PRO CD C 50.778 0.300 1 46 11 11 PRO CG C 27.972 0.300 1 47 12 12 SER H H 7.995 0.030 1 48 12 12 SER HA H 4.193 0.030 1 49 12 12 SER HB2 H 3.982 0.030 2 50 12 12 SER HB3 H 3.872 0.030 2 51 12 12 SER C C 175.225 0.300 1 52 12 12 SER CA C 59.982 0.300 1 53 12 12 SER CB C 62.607 0.300 1 54 12 12 SER N N 108.592 0.300 1 55 13 13 ARG H H 7.947 0.030 1 56 13 13 ARG HA H 4.300 0.030 1 57 13 13 ARG HB2 H 1.613 0.030 2 58 13 13 ARG HB3 H 1.920 0.030 2 59 13 13 ARG HD2 H 3.097 0.030 1 60 13 13 ARG HD3 H 3.097 0.030 1 61 13 13 ARG HG2 H 1.520 0.030 2 62 13 13 ARG HG3 H 1.636 0.030 2 63 13 13 ARG C C 175.970 0.300 1 64 13 13 ARG CA C 55.497 0.300 1 65 13 13 ARG CB C 30.476 0.300 1 66 13 13 ARG CD C 43.029 0.300 1 67 13 13 ARG CG C 27.537 0.300 1 68 13 13 ARG N N 120.094 0.300 1 69 14 14 VAL H H 7.430 0.030 1 70 14 14 VAL HA H 3.935 0.030 1 71 14 14 VAL HB H 1.958 0.030 1 72 14 14 VAL HG1 H 0.609 0.030 1 73 14 14 VAL HG2 H 0.267 0.030 1 74 14 14 VAL C C 175.058 0.300 1 75 14 14 VAL CA C 62.879 0.300 1 76 14 14 VAL CB C 31.236 0.300 1 77 14 14 VAL CG1 C 22.926 0.300 2 78 14 14 VAL CG2 C 23.274 0.300 2 79 14 14 VAL N N 122.342 0.300 1 80 15 15 GLN H H 8.126 0.030 1 81 15 15 GLN HA H 4.794 0.030 1 82 15 15 GLN HB2 H 1.831 0.030 2 83 15 15 GLN HB3 H 2.062 0.030 2 84 15 15 GLN HE21 H 7.427 0.030 2 85 15 15 GLN HE22 H 6.552 0.030 2 86 15 15 GLN HG2 H 2.217 0.030 2 87 15 15 GLN HG3 H 2.285 0.030 2 88 15 15 GLN C C 174.124 0.300 1 89 15 15 GLN CA C 54.239 0.300 1 90 15 15 GLN CB C 32.619 0.300 1 91 15 15 GLN CG C 33.707 0.300 1 92 15 15 GLN N N 124.581 0.300 1 93 15 15 GLN NE2 N 111.017 0.300 1 94 16 16 ALA H H 8.658 0.030 1 95 16 16 ALA HA H 5.555 0.030 1 96 16 16 ALA HB H 1.066 0.030 1 97 16 16 ALA C C 175.235 0.300 1 98 16 16 ALA CA C 50.356 0.300 1 99 16 16 ALA CB C 23.416 0.300 1 100 16 16 ALA N N 126.980 0.300 1 101 17 17 GLN H H 8.611 0.030 1 102 17 17 GLN HA H 4.613 0.030 1 103 17 17 GLN HB2 H 1.956 0.030 2 104 17 17 GLN HB3 H 2.201 0.030 2 105 17 17 GLN HE21 H 7.406 0.030 2 106 17 17 GLN HE22 H 6.745 0.030 2 107 17 17 GLN HG2 H 2.236 0.030 2 108 17 17 GLN HG3 H 2.293 0.030 2 109 17 17 GLN C C 174.246 0.300 1 110 17 17 GLN CA C 55.050 0.300 1 111 17 17 GLN CB C 31.828 0.300 1 112 17 17 GLN CG C 32.614 0.300 1 113 17 17 GLN N N 116.661 0.300 1 114 17 17 GLN NE2 N 111.827 0.300 1 115 18 18 GLY H H 8.484 0.030 1 116 18 18 GLY HA2 H 4.103 0.030 2 117 18 18 GLY HA3 H 4.905 0.030 2 118 18 18 GLY C C 174.132 0.300 1 119 18 18 GLY CA C 45.296 0.300 1 120 18 18 GLY N N 110.616 0.300 1 121 19 19 PRO HA H 4.376 0.030 1 122 19 19 PRO HB2 H 2.332 0.030 2 123 19 19 PRO HB3 H 2.451 0.030 2 124 19 19 PRO HD2 H 3.613 0.030 2 125 19 19 PRO HD3 H 3.827 0.030 2 126 19 19 PRO HG2 H 2.102 0.030 2 127 19 19 PRO HG3 H 2.463 0.030 2 128 19 19 PRO C C 179.347 0.300 1 129 19 19 PRO CA C 65.549 0.300 1 130 19 19 PRO CB C 31.446 0.300 1 131 19 19 PRO CD C 50.034 0.300 1 132 19 19 PRO CG C 27.574 0.300 1 133 20 20 GLY H H 9.258 0.030 1 134 20 20 GLY HA2 H 3.320 0.030 2 135 20 20 GLY HA3 H 4.308 0.030 2 136 20 20 GLY C C 172.687 0.300 1 137 20 20 GLY CA C 46.020 0.300 1 138 20 20 GLY N N 103.620 0.300 1 139 21 21 LEU H H 7.471 0.030 1 140 21 21 LEU HA H 4.195 0.030 1 141 21 21 LEU HB2 H 1.032 0.030 2 142 21 21 LEU HB3 H 1.307 0.030 2 143 21 21 LEU HD1 H -0.405 0.030 1 144 21 21 LEU HD2 H -0.788 0.030 1 145 21 21 LEU HG H 0.494 0.030 1 146 21 21 LEU C C 175.556 0.300 1 147 21 21 LEU CA C 53.914 0.300 1 148 21 21 LEU CB C 40.000 0.300 1 149 21 21 LEU CD1 C 24.136 0.300 2 150 21 21 LEU CD2 C 19.991 0.300 2 151 21 21 LEU CG C 25.994 0.300 1 152 21 21 LEU N N 116.020 0.300 1 153 22 22 LYS H H 7.838 0.030 1 154 22 22 LYS HA H 4.571 0.030 1 155 22 22 LYS HB2 H 1.964 0.030 2 156 22 22 LYS HB3 H 1.894 0.030 2 157 22 22 LYS HD2 H 1.715 0.030 1 158 22 22 LYS HD3 H 1.715 0.030 1 159 22 22 LYS HE2 H 3.000 0.030 1 160 22 22 LYS HE3 H 3.000 0.030 1 161 22 22 LYS HG2 H 1.367 0.030 2 162 22 22 LYS HG3 H 1.465 0.030 2 163 22 22 LYS C C 175.209 0.300 1 164 22 22 LYS CA C 57.263 0.300 1 165 22 22 LYS CB C 35.114 0.300 1 166 22 22 LYS CD C 28.893 0.300 1 167 22 22 LYS CE C 42.194 0.300 1 168 22 22 LYS CG C 24.698 0.300 1 169 22 22 LYS N N 120.039 0.300 1 170 23 23 GLU H H 7.993 0.030 1 171 23 23 GLU HA H 4.296 0.030 1 172 23 23 GLU HB2 H 1.944 0.030 2 173 23 23 GLU HB3 H 1.854 0.030 2 174 23 23 GLU HG2 H 1.956 0.030 1 175 23 23 GLU HG3 H 1.956 0.030 1 176 23 23 GLU C C 172.552 0.300 1 177 23 23 GLU CA C 56.297 0.300 1 178 23 23 GLU CB C 32.306 0.300 1 179 23 23 GLU CG C 35.780 0.300 1 180 23 23 GLU N N 117.180 0.300 1 181 24 24 ALA H H 7.809 0.030 1 182 24 24 ALA HA H 4.416 0.030 1 183 24 24 ALA HB H 1.048 0.030 1 184 24 24 ALA C C 174.763 0.300 1 185 24 24 ALA CA C 50.519 0.300 1 186 24 24 ALA CB C 24.197 0.300 1 187 24 24 ALA N N 124.660 0.300 1 188 25 25 PHE H H 8.043 0.030 1 189 25 25 PHE HA H 5.703 0.030 1 190 25 25 PHE HB2 H 3.109 0.030 2 191 25 25 PHE HB3 H 2.328 0.030 2 192 25 25 PHE HD1 H 7.087 0.030 1 193 25 25 PHE HD2 H 7.087 0.030 1 194 25 25 PHE HE1 H 7.199 0.030 1 195 25 25 PHE HE2 H 7.199 0.030 1 196 25 25 PHE HZ H 7.174 0.030 1 197 25 25 PHE C C 176.018 0.300 1 198 25 25 PHE CA C 55.899 0.300 1 199 25 25 PHE CB C 43.108 0.300 1 200 25 25 PHE CD1 C 132.392 0.300 1 201 25 25 PHE CD2 C 132.392 0.300 1 202 25 25 PHE CE1 C 131.071 0.300 1 203 25 25 PHE CE2 C 131.071 0.300 1 204 25 25 PHE CZ C 129.701 0.300 1 205 25 25 PHE N N 115.728 0.300 1 206 26 26 THR H H 8.120 0.030 1 207 26 26 THR HA H 3.543 0.030 1 208 26 26 THR HB H 3.915 0.030 1 209 26 26 THR HG2 H 0.662 0.030 1 210 26 26 THR C C 175.037 0.300 1 211 26 26 THR CA C 61.497 0.300 1 212 26 26 THR CB C 68.865 0.300 1 213 26 26 THR CG2 C 23.498 0.300 1 214 26 26 THR N N 112.572 0.300 1 215 27 27 ASN H H 8.502 0.030 1 216 27 27 ASN HA H 3.864 0.030 1 217 27 27 ASN HB2 H 2.981 0.030 2 218 27 27 ASN HB3 H 2.925 0.030 2 219 27 27 ASN HD21 H 7.423 0.030 2 220 27 27 ASN HD22 H 7.060 0.030 2 221 27 27 ASN C C 172.731 0.300 1 222 27 27 ASN CA C 55.412 0.300 1 223 27 27 ASN CB C 37.572 0.300 1 224 27 27 ASN N N 110.875 0.300 1 225 27 27 ASN ND2 N 113.895 0.300 1 226 28 28 LYS H H 7.348 0.030 1 227 28 28 LYS HA H 4.724 0.030 1 228 28 28 LYS HB2 H 1.478 0.030 2 229 28 28 LYS HB3 H 1.671 0.030 2 230 28 28 LYS HD2 H 1.544 0.030 2 231 28 28 LYS HD3 H 1.470 0.030 2 232 28 28 LYS HE2 H 2.823 0.030 1 233 28 28 LYS HE3 H 2.823 0.030 1 234 28 28 LYS HG2 H 1.254 0.030 2 235 28 28 LYS HG3 H 1.301 0.030 2 236 28 28 LYS C C 171.608 0.300 1 237 28 28 LYS CA C 52.859 0.300 1 238 28 28 LYS CB C 34.387 0.300 1 239 28 28 LYS CD C 29.032 0.300 1 240 28 28 LYS CE C 41.990 0.300 1 241 28 28 LYS CG C 23.434 0.300 1 242 28 28 LYS N N 118.224 0.300 1 243 29 29 PRO HA H 3.980 0.030 1 244 29 29 PRO HB2 H 1.909 0.030 2 245 29 29 PRO HB3 H 1.603 0.030 2 246 29 29 PRO HD2 H 3.489 0.030 2 247 29 29 PRO HD3 H 3.631 0.030 2 248 29 29 PRO HG2 H 1.786 0.030 2 249 29 29 PRO HG3 H 2.033 0.030 2 250 29 29 PRO C C 175.936 0.300 1 251 29 29 PRO CA C 62.776 0.300 1 252 29 29 PRO CB C 31.429 0.300 1 253 29 29 PRO CD C 49.968 0.300 1 254 29 29 PRO CG C 27.763 0.300 1 255 30 30 ASN H H 7.964 0.030 1 256 30 30 ASN HA H 5.203 0.030 1 257 30 30 ASN HB2 H 1.680 0.030 2 258 30 30 ASN HB3 H 1.899 0.030 2 259 30 30 ASN HD21 H 6.810 0.030 2 260 30 30 ASN HD22 H 7.690 0.030 2 261 30 30 ASN C C 174.564 0.300 1 262 30 30 ASN CA C 52.412 0.300 1 263 30 30 ASN CB C 40.428 0.300 1 264 30 30 ASN N N 124.312 0.300 1 265 30 30 ASN ND2 N 122.788 0.300 1 266 31 31 VAL H H 8.949 0.030 1 267 31 31 VAL HA H 5.309 0.030 1 268 31 31 VAL HB H 2.314 0.030 1 269 31 31 VAL HG1 H 0.842 0.030 1 270 31 31 VAL HG2 H 0.917 0.030 1 271 31 31 VAL C C 176.023 0.300 1 272 31 31 VAL CA C 60.751 0.300 1 273 31 31 VAL CB C 34.942 0.300 1 274 31 31 VAL CG1 C 21.171 0.300 2 275 31 31 VAL CG2 C 18.872 0.300 2 276 31 31 VAL N N 117.123 0.300 1 277 32 32 PHE H H 8.281 0.030 1 278 32 32 PHE HA H 5.087 0.030 1 279 32 32 PHE HB2 H 2.731 0.030 2 280 32 32 PHE HB3 H 3.002 0.030 2 281 32 32 PHE HD1 H 6.636 0.030 1 282 32 32 PHE HD2 H 6.636 0.030 1 283 32 32 PHE HE1 H 6.837 0.030 1 284 32 32 PHE HE2 H 6.837 0.030 1 285 32 32 PHE HZ H 6.684 0.030 1 286 32 32 PHE C C 172.481 0.300 1 287 32 32 PHE CA C 57.414 0.300 1 288 32 32 PHE CB C 39.676 0.300 1 289 32 32 PHE CD1 C 132.094 0.300 1 290 32 32 PHE CD2 C 132.094 0.300 1 291 32 32 PHE CE1 C 130.454 0.300 1 292 32 32 PHE CE2 C 130.454 0.300 1 293 32 32 PHE CZ C 128.583 0.300 1 294 32 32 PHE N N 114.135 0.300 1 295 33 33 THR H H 9.143 0.030 1 296 33 33 THR HA H 5.257 0.030 1 297 33 33 THR HB H 4.051 0.030 1 298 33 33 THR HG2 H 1.188 0.030 1 299 33 33 THR C C 173.698 0.300 1 300 33 33 THR CA C 61.021 0.300 1 301 33 33 THR CB C 72.149 0.300 1 302 33 33 THR CG2 C 21.701 0.300 1 303 33 33 THR N N 114.336 0.300 1 304 34 34 VAL H H 9.027 0.030 1 305 34 34 VAL HA H 4.821 0.030 1 306 34 34 VAL HB H 1.904 0.030 1 307 34 34 VAL HG1 H 0.759 0.030 1 308 34 34 VAL HG2 H 1.017 0.030 1 309 34 34 VAL C C 174.629 0.300 1 310 34 34 VAL CA C 61.100 0.300 1 311 34 34 VAL CB C 34.125 0.300 1 312 34 34 VAL CG1 C 22.524 0.300 2 313 34 34 VAL CG2 C 21.570 0.300 2 314 34 34 VAL N N 123.775 0.300 1 315 35 35 VAL H H 9.347 0.030 1 316 35 35 VAL HA H 4.457 0.030 1 317 35 35 VAL HB H 2.074 0.030 1 318 35 35 VAL HG1 H 1.079 0.030 1 319 35 35 VAL HG2 H 0.940 0.030 1 320 35 35 VAL C C 175.514 0.300 1 321 35 35 VAL CA C 62.289 0.300 1 322 35 35 VAL CB C 33.748 0.300 1 323 35 35 VAL CG1 C 21.504 0.300 2 324 35 35 VAL CG2 C 21.126 0.300 2 325 35 35 VAL N N 128.256 0.300 1 326 36 36 THR H H 8.519 0.030 1 327 36 36 THR HA H 4.096 0.030 1 328 36 36 THR HB H 4.179 0.030 1 329 36 36 THR HG2 H 0.796 0.030 1 330 36 36 THR C C 174.782 0.300 1 331 36 36 THR CA C 60.822 0.300 1 332 36 36 THR CB C 68.635 0.300 1 333 36 36 THR CG2 C 21.903 0.300 1 334 36 36 THR N N 115.093 0.300 1 335 37 37 ARG H H 7.314 0.030 1 336 37 37 ARG HA H 4.120 0.030 1 337 37 37 ARG HB2 H 1.773 0.030 2 338 37 37 ARG HB3 H 1.828 0.030 2 339 37 37 ARG HD2 H 3.149 0.030 2 340 37 37 ARG HD3 H 3.317 0.030 2 341 37 37 ARG HG2 H 1.665 0.030 2 342 37 37 ARG HG3 H 1.771 0.030 2 343 37 37 ARG C C 176.713 0.300 1 344 37 37 ARG CA C 58.038 0.300 1 345 37 37 ARG CB C 30.559 0.300 1 346 37 37 ARG CD C 43.392 0.300 1 347 37 37 ARG CG C 28.238 0.300 1 348 37 37 ARG N N 122.948 0.300 1 349 38 38 GLY HA2 H 3.853 0.030 2 350 38 38 GLY HA3 H 4.070 0.030 2 351 38 38 GLY C C 174.354 0.300 1 352 38 38 GLY CA C 45.510 0.300 1 353 39 39 ALA H H 7.926 0.030 1 354 39 39 ALA HA H 4.368 0.030 1 355 39 39 ALA HB H 1.018 0.030 1 356 39 39 ALA C C 176.797 0.300 1 357 39 39 ALA CA C 51.991 0.300 1 358 39 39 ALA CB C 21.148 0.300 1 359 39 39 ALA N N 121.579 0.300 1 360 40 40 GLY H H 8.290 0.030 1 361 40 40 GLY HA2 H 3.759 0.030 2 362 40 40 GLY HA3 H 4.296 0.030 2 363 40 40 GLY C C 174.782 0.300 1 364 40 40 GLY CA C 44.615 0.300 1 365 40 40 GLY N N 107.262 0.300 1 366 41 41 ILE H H 8.505 0.030 1 367 41 41 ILE HA H 4.212 0.030 1 368 41 41 ILE HB H 1.760 0.030 1 369 41 41 ILE HD1 H 0.792 0.030 1 370 41 41 ILE HG12 H 1.143 0.030 2 371 41 41 ILE HG13 H 1.433 0.030 2 372 41 41 ILE HG2 H 0.775 0.030 1 373 41 41 ILE C C 175.026 0.300 1 374 41 41 ILE CA C 61.241 0.300 1 375 41 41 ILE CB C 38.558 0.300 1 376 41 41 ILE CD1 C 12.601 0.300 1 377 41 41 ILE CG1 C 27.197 0.300 1 378 41 41 ILE CG2 C 17.210 0.300 1 379 41 41 ILE N N 122.717 0.300 1 380 42 42 GLY H H 7.646 0.030 1 381 42 42 GLY HA2 H 3.001 0.030 2 382 42 42 GLY HA3 H 3.753 0.030 2 383 42 42 GLY C C 171.316 0.300 1 384 42 42 GLY CA C 44.524 0.300 1 385 42 42 GLY N N 112.635 0.300 1 386 43 43 GLY H H 7.942 0.030 1 387 43 43 GLY HA2 H 3.403 0.030 2 388 43 43 GLY HA3 H 4.108 0.030 2 389 43 43 GLY C C 173.893 0.300 1 390 43 43 GLY CA C 44.440 0.300 1 391 43 43 GLY N N 105.255 0.300 1 392 44 44 LEU H H 8.835 0.030 1 393 44 44 LEU HA H 5.218 0.030 1 394 44 44 LEU HB2 H 1.495 0.030 2 395 44 44 LEU HB3 H 1.920 0.030 2 396 44 44 LEU HD1 H 0.987 0.030 1 397 44 44 LEU HD2 H 0.886 0.030 1 398 44 44 LEU HG H 1.530 0.030 1 399 44 44 LEU C C 176.000 0.300 1 400 44 44 LEU CA C 54.476 0.300 1 401 44 44 LEU CB C 43.781 0.300 1 402 44 44 LEU CD1 C 24.763 0.300 2 403 44 44 LEU CD2 C 26.819 0.300 2 404 44 44 LEU CG C 27.631 0.300 1 405 44 44 LEU N N 129.357 0.300 1 406 45 45 GLY H H 9.232 0.030 1 407 45 45 GLY HA2 H 3.283 0.030 2 408 45 45 GLY HA3 H 4.516 0.030 2 409 45 45 GLY C C 171.909 0.300 1 410 45 45 GLY CA C 44.596 0.300 1 411 45 45 GLY N N 117.439 0.300 1 412 46 46 ILE H H 8.173 0.030 1 413 46 46 ILE HA H 5.202 0.030 1 414 46 46 ILE HB H 1.597 0.030 1 415 46 46 ILE HD1 H 0.824 0.030 1 416 46 46 ILE HG12 H 1.058 0.030 2 417 46 46 ILE HG13 H 1.577 0.030 2 418 46 46 ILE HG2 H 0.705 0.030 1 419 46 46 ILE C C 175.440 0.300 1 420 46 46 ILE CA C 60.306 0.300 1 421 46 46 ILE CB C 41.399 0.300 1 422 46 46 ILE CD1 C 14.420 0.300 1 423 46 46 ILE CG1 C 28.079 0.300 1 424 46 46 ILE CG2 C 17.045 0.300 1 425 46 46 ILE N N 124.065 0.300 1 426 47 47 THR H H 8.822 0.030 1 427 47 47 THR HA H 4.594 0.030 1 428 47 47 THR HB H 4.199 0.030 1 429 47 47 THR HG2 H 1.103 0.030 1 430 47 47 THR C C 172.654 0.300 1 431 47 47 THR CA C 59.620 0.300 1 432 47 47 THR CB C 72.197 0.300 1 433 47 47 THR CG2 C 22.410 0.300 1 434 47 47 THR N N 117.830 0.300 1 435 48 48 VAL H H 8.679 0.030 1 436 48 48 VAL HA H 4.998 0.030 1 437 48 48 VAL HB H 1.682 0.030 1 438 48 48 VAL HG1 H 0.622 0.030 1 439 48 48 VAL HG2 H 0.375 0.030 1 440 48 48 VAL C C 176.215 0.300 1 441 48 48 VAL CA C 61.363 0.300 1 442 48 48 VAL CB C 34.311 0.300 1 443 48 48 VAL CG1 C 21.628 0.300 2 444 48 48 VAL CG2 C 20.147 0.300 2 445 48 48 VAL N N 121.901 0.300 1 446 49 49 GLU H H 9.412 0.030 1 447 49 49 GLU HA H 4.998 0.030 1 448 49 49 GLU HB2 H 1.893 0.030 2 449 49 49 GLU HB3 H 2.071 0.030 2 450 49 49 GLU HG2 H 2.139 0.030 1 451 49 49 GLU HG3 H 2.139 0.030 1 452 49 49 GLU C C 175.089 0.300 1 453 49 49 GLU CA C 54.250 0.300 1 454 49 49 GLU CB C 32.905 0.300 1 455 49 49 GLU CG C 36.105 0.300 1 456 49 49 GLU N N 129.773 0.300 1 457 50 50 GLY H H 8.419 0.030 1 458 50 50 GLY HA2 H 3.561 0.030 2 459 50 50 GLY HA3 H 3.639 0.030 2 460 50 50 GLY C C 171.902 0.300 1 461 50 50 GLY CA C 45.672 0.300 1 462 50 50 GLY N N 110.028 0.300 1 463 51 51 PRO HA H 4.344 0.030 1 464 51 51 PRO HB2 H 1.975 0.030 2 465 51 51 PRO HB3 H 2.166 0.030 2 466 51 51 PRO HD2 H 2.843 0.030 2 467 51 51 PRO HD3 H 1.745 0.030 2 468 51 51 PRO HG2 H 1.767 0.030 2 469 51 51 PRO HG3 H 1.503 0.030 2 470 51 51 PRO C C 175.820 0.300 1 471 51 51 PRO CA C 64.022 0.300 1 472 51 51 PRO CB C 31.798 0.300 1 473 51 51 PRO CD C 49.616 0.300 1 474 51 51 PRO CG C 26.511 0.300 1 475 52 52 SER H H 7.406 0.030 1 476 52 52 SER HA H 4.719 0.030 1 477 52 52 SER HB2 H 4.099 0.030 2 478 52 52 SER HB3 H 3.952 0.030 2 479 52 52 SER C C 172.323 0.300 1 480 52 52 SER CA C 57.601 0.300 1 481 52 52 SER CB C 66.709 0.300 1 482 52 52 SER N N 110.735 0.300 1 483 53 53 GLU H H 8.962 0.030 1 484 53 53 GLU HA H 4.646 0.030 1 485 53 53 GLU HB2 H 2.108 0.030 2 486 53 53 GLU HB3 H 2.030 0.030 2 487 53 53 GLU HG2 H 2.244 0.030 2 488 53 53 GLU HG3 H 2.334 0.030 2 489 53 53 GLU C C 175.327 0.300 1 490 53 53 GLU CA C 55.551 0.300 1 491 53 53 GLU CB C 29.245 0.300 1 492 53 53 GLU CG C 36.229 0.300 1 493 53 53 GLU N N 122.124 0.300 1 494 54 54 SER H H 8.617 0.030 1 495 54 54 SER HA H 4.802 0.030 1 496 54 54 SER HB2 H 3.365 0.030 2 497 54 54 SER HB3 H 3.453 0.030 2 498 54 54 SER C C 174.797 0.300 1 499 54 54 SER CA C 60.349 0.300 1 500 54 54 SER CB C 64.587 0.300 1 501 54 54 SER N N 121.942 0.300 1 502 55 55 LYS H H 8.141 0.030 1 503 55 55 LYS HA H 4.595 0.030 1 504 55 55 LYS HB2 H 1.927 0.030 1 505 55 55 LYS HB3 H 1.927 0.030 1 506 55 55 LYS HD2 H 1.787 0.030 1 507 55 55 LYS HD3 H 1.787 0.030 1 508 55 55 LYS HE2 H 3.025 0.030 1 509 55 55 LYS HE3 H 3.025 0.030 1 510 55 55 LYS HG2 H 1.585 0.030 2 511 55 55 LYS HG3 H 1.531 0.030 2 512 55 55 LYS C C 176.341 0.300 1 513 55 55 LYS CA C 55.765 0.300 1 514 55 55 LYS CB C 33.791 0.300 1 515 55 55 LYS CD C 29.056 0.300 1 516 55 55 LYS CE C 42.194 0.300 1 517 55 55 LYS CG C 24.982 0.300 1 518 55 55 LYS N N 124.881 0.300 1 519 56 56 ILE H H 8.799 0.030 1 520 56 56 ILE HA H 4.944 0.030 1 521 56 56 ILE HB H 1.649 0.030 1 522 56 56 ILE HD1 H 0.856 0.030 1 523 56 56 ILE HG12 H 1.480 0.030 2 524 56 56 ILE HG13 H 0.818 0.030 2 525 56 56 ILE HG2 H 0.774 0.030 1 526 56 56 ILE C C 174.875 0.300 1 527 56 56 ILE CA C 60.467 0.300 1 528 56 56 ILE CB C 41.302 0.300 1 529 56 56 ILE CD1 C 15.208 0.300 1 530 56 56 ILE CG1 C 28.093 0.300 1 531 56 56 ILE CG2 C 16.943 0.300 1 532 56 56 ILE N N 126.405 0.300 1 533 57 57 ASN H H 8.919 0.030 1 534 57 57 ASN HA H 5.048 0.030 1 535 57 57 ASN HB2 H 2.596 0.030 2 536 57 57 ASN HB3 H 2.556 0.030 2 537 57 57 ASN HD21 H 8.007 0.030 2 538 57 57 ASN HD22 H 6.687 0.030 2 539 57 57 ASN C C 173.646 0.300 1 540 57 57 ASN CA C 52.420 0.300 1 541 57 57 ASN CB C 42.194 0.300 1 542 57 57 ASN N N 124.818 0.300 1 543 57 57 ASN ND2 N 113.972 0.300 1 544 58 58 CYS H H 8.772 0.030 1 545 58 58 CYS HA H 4.912 0.030 1 546 58 58 CYS HB2 H 2.671 0.030 2 547 58 58 CYS HB3 H 2.566 0.030 2 548 58 58 CYS C C 172.766 0.300 1 549 58 58 CYS CA C 57.661 0.300 1 550 58 58 CYS CB C 29.214 0.300 1 551 58 58 CYS N N 121.951 0.300 1 552 59 59 ARG H H 8.827 0.030 1 553 59 59 ARG HA H 4.577 0.030 1 554 59 59 ARG HB2 H 1.757 0.030 2 555 59 59 ARG HB3 H 1.628 0.030 2 556 59 59 ARG HD2 H 3.134 0.030 1 557 59 59 ARG HD3 H 3.134 0.030 1 558 59 59 ARG HG2 H 1.341 0.030 2 559 59 59 ARG HG3 H 1.506 0.030 2 560 59 59 ARG C C 174.072 0.300 1 561 59 59 ARG CA C 54.634 0.300 1 562 59 59 ARG CB C 32.999 0.300 1 563 59 59 ARG CD C 43.339 0.300 1 564 59 59 ARG CG C 27.017 0.300 1 565 59 59 ARG N N 126.939 0.300 1 566 60 60 ASP H H 8.776 0.030 1 567 60 60 ASP HA H 4.797 0.030 1 568 60 60 ASP HB2 H 2.819 0.030 2 569 60 60 ASP HB3 H 2.623 0.030 2 570 60 60 ASP C C 176.928 0.300 1 571 60 60 ASP CA C 54.017 0.300 1 572 60 60 ASP CB C 41.217 0.300 1 573 60 60 ASP N N 125.729 0.300 1 574 61 61 ASN H H 8.792 0.030 1 575 61 61 ASN HA H 4.697 0.030 1 576 61 61 ASN HB2 H 2.965 0.030 2 577 61 61 ASN HB3 H 2.720 0.030 2 578 61 61 ASN HD21 H 7.394 0.030 2 579 61 61 ASN HD22 H 7.327 0.030 2 580 61 61 ASN C C 175.990 0.300 1 581 61 61 ASN CA C 54.155 0.300 1 582 61 61 ASN CB C 38.695 0.300 1 583 61 61 ASN N N 124.928 0.300 1 584 61 61 ASN ND2 N 114.411 0.300 1 585 62 62 LYS H H 9.364 0.030 1 586 62 62 LYS HA H 3.984 0.030 1 587 62 62 LYS HB2 H 1.965 0.030 2 588 62 62 LYS HB3 H 2.110 0.030 2 589 62 62 LYS HD2 H 1.583 0.030 2 590 62 62 LYS HD3 H 1.651 0.030 2 591 62 62 LYS HE2 H 2.952 0.030 1 592 62 62 LYS HE3 H 2.952 0.030 1 593 62 62 LYS HG2 H 1.247 0.030 2 594 62 62 LYS HG3 H 1.324 0.030 2 595 62 62 LYS C C 175.257 0.300 1 596 62 62 LYS CA C 57.972 0.300 1 597 62 62 LYS CB C 28.787 0.300 1 598 62 62 LYS CD C 28.657 0.300 1 599 62 62 LYS CE C 42.187 0.300 1 600 62 62 LYS CG C 24.825 0.300 1 601 62 62 LYS N N 115.152 0.300 1 602 63 63 ASP H H 7.878 0.030 1 603 63 63 ASP HA H 4.713 0.030 1 604 63 63 ASP HB2 H 2.400 0.030 2 605 63 63 ASP HB3 H 3.010 0.030 2 606 63 63 ASP C C 177.758 0.300 1 607 63 63 ASP CA C 52.430 0.300 1 608 63 63 ASP CB C 41.011 0.300 1 609 63 63 ASP N N 117.682 0.300 1 610 64 64 GLY H H 8.802 0.030 1 611 64 64 GLY HA2 H 3.597 0.030 2 612 64 64 GLY HA3 H 4.245 0.030 2 613 64 64 GLY C C 172.760 0.300 1 614 64 64 GLY CA C 45.604 0.300 1 615 64 64 GLY N N 110.233 0.300 1 616 65 65 SER H H 8.093 0.030 1 617 65 65 SER HA H 5.564 0.030 1 618 65 65 SER HB2 H 3.917 0.030 2 619 65 65 SER HB3 H 3.815 0.030 2 620 65 65 SER C C 172.547 0.300 1 621 65 65 SER CA C 57.155 0.300 1 622 65 65 SER CB C 68.372 0.300 1 623 65 65 SER N N 115.408 0.300 1 624 66 66 CYS H H 9.278 0.030 1 625 66 66 CYS HA H 5.330 0.030 1 626 66 66 CYS HB2 H 2.714 0.030 2 627 66 66 CYS HB3 H 2.601 0.030 2 628 66 66 CYS C C 174.007 0.300 1 629 66 66 CYS CA C 56.674 0.300 1 630 66 66 CYS CB C 31.033 0.300 1 631 66 66 CYS N N 117.836 0.300 1 632 67 67 SER H H 9.006 0.030 1 633 67 67 SER HA H 4.820 0.030 1 634 67 67 SER HB2 H 4.031 0.030 2 635 67 67 SER HB3 H 3.649 0.030 2 636 67 67 SER C C 172.237 0.300 1 637 67 67 SER CA C 58.186 0.300 1 638 67 67 SER CB C 64.082 0.300 1 639 67 67 SER N N 121.934 0.300 1 640 68 68 ALA H H 8.814 0.030 1 641 68 68 ALA HA H 5.012 0.030 1 642 68 68 ALA HB H 0.285 0.030 1 643 68 68 ALA C C 175.270 0.300 1 644 68 68 ALA CA C 50.013 0.300 1 645 68 68 ALA CB C 22.362 0.300 1 646 68 68 ALA N N 129.588 0.300 1 647 69 69 GLU H H 8.361 0.030 1 648 69 69 GLU HA H 5.293 0.030 1 649 69 69 GLU HB2 H 1.604 0.030 2 650 69 69 GLU HB3 H 1.927 0.030 2 651 69 69 GLU HG2 H 2.015 0.030 2 652 69 69 GLU HG3 H 1.899 0.030 2 653 69 69 GLU C C 174.621 0.300 1 654 69 69 GLU CA C 53.808 0.300 1 655 69 69 GLU CB C 33.906 0.300 1 656 69 69 GLU CG C 36.043 0.300 1 657 69 69 GLU N N 117.172 0.300 1 658 70 70 TYR H H 8.932 0.030 1 659 70 70 TYR HA H 5.997 0.030 1 660 70 70 TYR HB2 H 2.728 0.030 2 661 70 70 TYR HB3 H 2.569 0.030 2 662 70 70 TYR HD1 H 6.629 0.030 1 663 70 70 TYR HD2 H 6.629 0.030 1 664 70 70 TYR HE1 H 6.067 0.030 1 665 70 70 TYR HE2 H 6.067 0.030 1 666 70 70 TYR C C 174.534 0.300 1 667 70 70 TYR CA C 55.015 0.300 1 668 70 70 TYR CB C 43.079 0.300 1 669 70 70 TYR CD1 C 132.703 0.300 1 670 70 70 TYR CD2 C 132.703 0.300 1 671 70 70 TYR CE1 C 116.066 0.300 1 672 70 70 TYR CE2 C 116.066 0.300 1 673 70 70 TYR N N 117.726 0.300 1 674 71 71 ILE H H 8.998 0.030 1 675 71 71 ILE HA H 4.477 0.030 1 676 71 71 ILE HB H 1.592 0.030 1 677 71 71 ILE HD1 H 0.681 0.030 1 678 71 71 ILE HG12 H 0.504 0.030 2 679 71 71 ILE HG13 H 1.174 0.030 2 680 71 71 ILE HG2 H 0.257 0.030 1 681 71 71 ILE C C 172.505 0.300 1 682 71 71 ILE CA C 58.278 0.300 1 683 71 71 ILE CB C 40.615 0.300 1 684 71 71 ILE CD1 C 14.040 0.300 1 685 71 71 ILE CG1 C 26.689 0.300 1 686 71 71 ILE CG2 C 17.647 0.300 1 687 71 71 ILE N N 123.503 0.300 1 688 72 72 PRO HA H 4.671 0.030 1 689 72 72 PRO HB2 H 1.305 0.030 2 690 72 72 PRO HB3 H 1.582 0.030 2 691 72 72 PRO HD2 H 3.231 0.030 2 692 72 72 PRO HD3 H 3.720 0.030 2 693 72 72 PRO HG2 H 1.378 0.030 2 694 72 72 PRO HG3 H 1.297 0.030 2 695 72 72 PRO C C 176.944 0.300 1 696 72 72 PRO CA C 60.961 0.300 1 697 72 72 PRO CB C 31.996 0.300 1 698 72 72 PRO CD C 50.163 0.300 1 699 72 72 PRO CG C 26.973 0.300 1 700 73 73 PHE H H 7.731 0.030 1 701 73 73 PHE HA H 4.769 0.030 1 702 73 73 PHE HB2 H 2.531 0.030 2 703 73 73 PHE HB3 H 3.550 0.030 2 704 73 73 PHE HD1 H 7.263 0.030 1 705 73 73 PHE HD2 H 7.263 0.030 1 706 73 73 PHE HE1 H 7.420 0.030 1 707 73 73 PHE HE2 H 7.420 0.030 1 708 73 73 PHE HZ H 7.151 0.030 1 709 73 73 PHE C C 174.484 0.300 1 710 73 73 PHE CA C 58.035 0.300 1 711 73 73 PHE CB C 41.137 0.300 1 712 73 73 PHE CD1 C 131.778 0.300 1 713 73 73 PHE CD2 C 131.778 0.300 1 714 73 73 PHE CE1 C 131.917 0.300 1 715 73 73 PHE CE2 C 131.917 0.300 1 716 73 73 PHE CZ C 129.231 0.300 1 717 73 73 PHE N N 115.009 0.300 1 718 74 74 ALA H H 6.937 0.030 1 719 74 74 ALA HA H 4.961 0.030 1 720 74 74 ALA HB H 1.350 0.030 1 721 74 74 ALA C C 174.717 0.300 1 722 74 74 ALA CA C 49.539 0.300 1 723 74 74 ALA CB C 20.904 0.300 1 724 74 74 ALA N N 119.569 0.300 1 725 75 75 PRO HA H 4.247 0.030 1 726 75 75 PRO HB2 H 2.099 0.030 1 727 75 75 PRO HB3 H 2.099 0.030 1 728 75 75 PRO HD2 H 3.746 0.030 2 729 75 75 PRO HD3 H 3.832 0.030 2 730 75 75 PRO HG2 H 2.060 0.030 2 731 75 75 PRO HG3 H 2.024 0.030 2 732 75 75 PRO C C 174.321 0.300 1 733 75 75 PRO CA C 62.867 0.300 1 734 75 75 PRO CB C 32.776 0.300 1 735 75 75 PRO CD C 50.704 0.300 1 736 75 75 PRO CG C 26.967 0.300 1 737 76 76 GLY H H 8.607 0.030 1 738 76 76 GLY HA2 H 3.783 0.030 2 739 76 76 GLY HA3 H 4.385 0.030 2 740 76 76 GLY C C 171.393 0.300 1 741 76 76 GLY CA C 44.368 0.300 1 742 76 76 GLY N N 106.076 0.300 1 743 77 77 ASP H H 8.318 0.030 1 744 77 77 ASP HA H 5.223 0.030 1 745 77 77 ASP HB2 H 2.156 0.030 2 746 77 77 ASP HB3 H 2.353 0.030 2 747 77 77 ASP C C 175.253 0.300 1 748 77 77 ASP CA C 54.366 0.300 1 749 77 77 ASP CB C 41.858 0.300 1 750 77 77 ASP N N 120.920 0.300 1 751 78 78 TYR H H 8.732 0.030 1 752 78 78 TYR HA H 5.110 0.030 1 753 78 78 TYR HB2 H 2.402 0.030 2 754 78 78 TYR HB3 H 2.751 0.030 2 755 78 78 TYR HD1 H 7.045 0.030 1 756 78 78 TYR HD2 H 7.045 0.030 1 757 78 78 TYR HE1 H 6.657 0.030 1 758 78 78 TYR HE2 H 6.657 0.030 1 759 78 78 TYR C C 174.280 0.300 1 760 78 78 TYR CA C 55.904 0.300 1 761 78 78 TYR CB C 40.260 0.300 1 762 78 78 TYR CD1 C 134.529 0.300 1 763 78 78 TYR CD2 C 134.529 0.300 1 764 78 78 TYR CE1 C 116.245 0.300 1 765 78 78 TYR CE2 C 116.245 0.300 1 766 78 78 TYR N N 123.228 0.300 1 767 79 79 ASP H H 9.137 0.030 1 768 79 79 ASP HA H 5.603 0.030 1 769 79 79 ASP HB2 H 2.398 0.030 2 770 79 79 ASP HB3 H 2.139 0.030 2 771 79 79 ASP C C 174.995 0.300 1 772 79 79 ASP CA C 53.037 0.300 1 773 79 79 ASP CB C 43.744 0.300 1 774 79 79 ASP N N 119.927 0.300 1 775 80 80 VAL H H 9.553 0.030 1 776 80 80 VAL HA H 4.239 0.030 1 777 80 80 VAL HB H 1.962 0.030 1 778 80 80 VAL HG1 H 0.350 0.030 1 779 80 80 VAL HG2 H 0.415 0.030 1 780 80 80 VAL C C 175.168 0.300 1 781 80 80 VAL CA C 61.966 0.300 1 782 80 80 VAL CB C 31.916 0.300 1 783 80 80 VAL CG1 C 20.378 0.300 2 784 80 80 VAL CG2 C 19.807 0.300 2 785 80 80 VAL N N 124.832 0.300 1 786 81 81 ASN H H 9.293 0.030 1 787 81 81 ASN HA H 5.018 0.030 1 788 81 81 ASN HB2 H 2.064 0.030 2 789 81 81 ASN HB3 H 3.243 0.030 2 790 81 81 ASN HD21 H 6.425 0.030 2 791 81 81 ASN HD22 H 6.774 0.030 2 792 81 81 ASN C C 174.320 0.300 1 793 81 81 ASN CA C 52.526 0.300 1 794 81 81 ASN CB C 40.590 0.300 1 795 81 81 ASN N N 126.989 0.300 1 796 81 81 ASN ND2 N 111.185 0.300 1 797 82 82 ILE H H 9.859 0.030 1 798 82 82 ILE HA H 5.030 0.030 1 799 82 82 ILE HB H 1.717 0.030 1 800 82 82 ILE HD1 H 0.459 0.030 1 801 82 82 ILE HG12 H 1.586 0.030 1 802 82 82 ILE HG13 H 1.586 0.030 1 803 82 82 ILE HG2 H 0.832 0.030 1 804 82 82 ILE C C 174.128 0.300 1 805 82 82 ILE CA C 60.486 0.300 1 806 82 82 ILE CB C 40.004 0.300 1 807 82 82 ILE CD1 C 15.618 0.300 1 808 82 82 ILE CG1 C 26.929 0.300 1 809 82 82 ILE CG2 C 18.588 0.300 1 810 82 82 ILE N N 125.331 0.300 1 811 83 83 THR H H 9.233 0.030 1 812 83 83 THR HA H 5.078 0.030 1 813 83 83 THR HB H 3.315 0.030 1 814 83 83 THR HG2 H 0.175 0.030 1 815 83 83 THR C C 173.890 0.300 1 816 83 83 THR CA C 57.601 0.300 1 817 83 83 THR CB C 72.256 0.300 1 818 83 83 THR CG2 C 18.834 0.300 1 819 83 83 THR N N 115.693 0.300 1 820 84 84 TYR H H 9.305 0.030 1 821 84 84 TYR HA H 5.255 0.030 1 822 84 84 TYR HB2 H 2.460 0.030 2 823 84 84 TYR HB3 H 2.667 0.030 2 824 84 84 TYR HD1 H 6.594 0.030 1 825 84 84 TYR HD2 H 6.594 0.030 1 826 84 84 TYR HE1 H 6.541 0.030 1 827 84 84 TYR HE2 H 6.541 0.030 1 828 84 84 TYR C C 176.542 0.300 1 829 84 84 TYR CA C 57.186 0.300 1 830 84 84 TYR CB C 42.790 0.300 1 831 84 84 TYR CD1 C 131.741 0.300 1 832 84 84 TYR CD2 C 131.741 0.300 1 833 84 84 TYR CE1 C 118.465 0.300 1 834 84 84 TYR CE2 C 118.465 0.300 1 835 84 84 TYR N N 122.076 0.300 1 836 85 85 GLY H H 8.590 0.030 1 837 85 85 GLY HA2 H 3.890 0.030 2 838 85 85 GLY HA3 H 3.853 0.030 2 839 85 85 GLY C C 175.727 0.300 1 840 85 85 GLY CA C 46.772 0.300 1 841 85 85 GLY N N 115.107 0.300 1 842 86 86 GLY H H 8.497 0.030 1 843 86 86 GLY HA2 H 3.354 0.030 2 844 86 86 GLY HA3 H 4.173 0.030 2 845 86 86 GLY C C 172.520 0.300 1 846 86 86 GLY CA C 44.545 0.300 1 847 86 86 GLY N N 104.045 0.300 1 848 87 87 ALA H H 7.113 0.030 1 849 87 87 ALA HA H 4.697 0.030 1 850 87 87 ALA HB H 1.384 0.030 1 851 87 87 ALA C C 176.711 0.300 1 852 87 87 ALA CA C 50.038 0.300 1 853 87 87 ALA CB C 21.620 0.300 1 854 87 87 ALA N N 122.783 0.300 1 855 88 88 HIS H H 8.592 0.030 1 856 88 88 HIS HA H 4.304 0.030 1 857 88 88 HIS HB2 H 2.798 0.030 2 858 88 88 HIS HB3 H 3.077 0.030 2 859 88 88 HIS HD2 H 7.024 0.030 1 860 88 88 HIS HE1 H 7.850 0.030 1 861 88 88 HIS C C 177.134 0.300 1 862 88 88 HIS CA C 58.934 0.300 1 863 88 88 HIS CB C 32.235 0.300 1 864 88 88 HIS CD2 C 117.263 0.300 1 865 88 88 HIS CE1 C 137.996 0.300 1 866 88 88 HIS N N 121.237 0.300 1 867 89 89 ILE H H 8.028 0.030 1 868 89 89 ILE HA H 4.421 0.030 1 869 89 89 ILE HB H 2.187 0.030 1 870 89 89 ILE HD1 H 0.818 0.030 1 871 89 89 ILE HG12 H 1.356 0.030 1 872 89 89 ILE HG13 H 1.356 0.030 1 873 89 89 ILE HG2 H 0.872 0.030 1 874 89 89 ILE C C 173.397 0.300 1 875 89 89 ILE CA C 60.239 0.300 1 876 89 89 ILE CB C 35.500 0.300 1 877 89 89 ILE CD1 C 16.344 0.300 1 878 89 89 ILE CG1 C 24.768 0.300 1 879 89 89 ILE CG2 C 17.954 0.300 1 880 89 89 ILE N N 118.844 0.300 1 881 90 90 PRO HA H 4.201 0.030 1 882 90 90 PRO HB2 H 1.938 0.030 2 883 90 90 PRO HB3 H 2.275 0.030 2 884 90 90 PRO HD2 H 4.117 0.030 2 885 90 90 PRO HD3 H 3.705 0.030 2 886 90 90 PRO HG2 H 1.881 0.030 2 887 90 90 PRO HG3 H 2.290 0.030 2 888 90 90 PRO C C 176.848 0.300 1 889 90 90 PRO CA C 65.302 0.300 1 890 90 90 PRO CB C 31.115 0.300 1 891 90 90 PRO CD C 50.950 0.300 1 892 90 90 PRO CG C 28.526 0.300 1 893 91 91 GLY H H 8.158 0.030 1 894 91 91 GLY HA2 H 3.015 0.030 2 895 91 91 GLY HA3 H 3.990 0.030 2 896 91 91 GLY C C 171.712 0.300 1 897 91 91 GLY CA C 44.339 0.300 1 898 91 91 GLY N N 113.826 0.300 1 899 92 92 SER H H 7.524 0.030 1 900 92 92 SER HA H 4.235 0.030 1 901 92 92 SER HB2 H 3.648 0.030 2 902 92 92 SER HB3 H 4.384 0.030 2 903 92 92 SER C C 174.668 0.300 1 904 92 92 SER CA C 54.662 0.300 1 905 92 92 SER CB C 62.546 0.300 1 906 92 92 SER N N 111.622 0.300 1 907 93 93 PRO HA H 5.229 0.030 1 908 93 93 PRO HB2 H 1.438 0.030 2 909 93 93 PRO HB3 H 2.315 0.030 2 910 93 93 PRO HD2 H 3.158 0.030 2 911 93 93 PRO HD3 H 2.407 0.030 2 912 93 93 PRO HG2 H 1.640 0.030 2 913 93 93 PRO HG3 H 1.749 0.030 2 914 93 93 PRO C C 176.531 0.300 1 915 93 93 PRO CA C 62.193 0.300 1 916 93 93 PRO CB C 33.249 0.300 1 917 93 93 PRO CD C 50.047 0.300 1 918 93 93 PRO CG C 24.911 0.300 1 919 94 94 PHE H H 9.250 0.030 1 920 94 94 PHE HA H 4.370 0.030 1 921 94 94 PHE HB2 H 2.833 0.030 1 922 94 94 PHE HB3 H 2.833 0.030 1 923 94 94 PHE HD1 H 7.214 0.030 1 924 94 94 PHE HD2 H 7.214 0.030 1 925 94 94 PHE HE1 H 7.053 0.030 1 926 94 94 PHE HE2 H 7.053 0.030 1 927 94 94 PHE HZ H 7.258 0.030 1 928 94 94 PHE C C 174.829 0.300 1 929 94 94 PHE CA C 57.209 0.300 1 930 94 94 PHE CB C 39.616 0.300 1 931 94 94 PHE CD1 C 132.518 0.300 1 932 94 94 PHE CD2 C 132.518 0.300 1 933 94 94 PHE CE1 C 130.574 0.300 1 934 94 94 PHE CE2 C 130.574 0.300 1 935 94 94 PHE CZ C 129.304 0.300 1 936 94 94 PHE N N 124.890 0.300 1 937 95 95 ARG H H 8.759 0.030 1 938 95 95 ARG HA H 5.158 0.030 1 939 95 95 ARG HB2 H 1.811 0.030 1 940 95 95 ARG HB3 H 1.811 0.030 1 941 95 95 ARG HD2 H 3.054 0.030 2 942 95 95 ARG HD3 H 3.107 0.030 2 943 95 95 ARG HE H 7.745 0.030 1 944 95 95 ARG HG2 H 1.274 0.030 2 945 95 95 ARG HG3 H 1.628 0.030 2 946 95 95 ARG C C 176.130 0.300 1 947 95 95 ARG CA C 54.716 0.300 1 948 95 95 ARG CB C 28.592 0.300 1 949 95 95 ARG CD C 41.796 0.300 1 950 95 95 ARG CG C 26.482 0.300 1 951 95 95 ARG N N 127.243 0.300 1 952 95 95 ARG NE N 83.419 0.300 1 953 96 96 VAL H H 9.620 0.030 1 954 96 96 VAL HA H 4.504 0.030 1 955 96 96 VAL HB H 1.721 0.030 1 956 96 96 VAL HG1 H 0.500 0.030 1 957 96 96 VAL HG2 H 0.657 0.030 1 958 96 96 VAL C C 173.335 0.300 1 959 96 96 VAL CA C 59.184 0.300 1 960 96 96 VAL CB C 35.746 0.300 1 961 96 96 VAL CG1 C 20.477 0.300 2 962 96 96 VAL CG2 C 20.194 0.300 2 963 96 96 VAL N N 131.854 0.300 1 964 97 97 PRO HA H 4.986 0.030 1 965 97 97 PRO HB2 H 1.833 0.030 2 966 97 97 PRO HB3 H 2.207 0.030 2 967 97 97 PRO HD2 H 3.703 0.030 2 968 97 97 PRO HD3 H 4.116 0.030 2 969 97 97 PRO HG2 H 2.094 0.030 2 970 97 97 PRO HG3 H 2.299 0.030 2 971 97 97 PRO C C 176.336 0.300 1 972 97 97 PRO CA C 62.061 0.300 1 973 97 97 PRO CB C 32.102 0.300 1 974 97 97 PRO CD C 50.948 0.300 1 975 97 97 PRO CG C 27.143 0.300 1 976 98 98 VAL H H 9.140 0.030 1 977 98 98 VAL HA H 4.344 0.030 1 978 98 98 VAL HB H 2.188 0.030 1 979 98 98 VAL HG1 H 0.355 0.030 1 980 98 98 VAL HG2 H 0.407 0.030 1 981 98 98 VAL C C 176.750 0.300 1 982 98 98 VAL CA C 60.509 0.300 1 983 98 98 VAL CB C 32.163 0.300 1 984 98 98 VAL CG1 C 23.251 0.300 2 985 98 98 VAL CG2 C 22.902 0.300 2 986 98 98 VAL N N 124.581 0.300 1 987 99 99 LYS H H 8.262 0.030 1 988 99 99 LYS HA H 4.729 0.030 1 989 99 99 LYS HB2 H 1.642 0.030 2 990 99 99 LYS HB3 H 1.931 0.030 2 991 99 99 LYS HD2 H 1.615 0.030 2 992 99 99 LYS HD3 H 1.677 0.030 2 993 99 99 LYS HE2 H 2.901 0.030 1 994 99 99 LYS HE3 H 2.901 0.030 1 995 99 99 LYS HG2 H 1.327 0.030 1 996 99 99 LYS HG3 H 1.327 0.030 1 997 99 99 LYS C C 175.734 0.300 1 998 99 99 LYS CA C 54.328 0.300 1 999 99 99 LYS CB C 35.989 0.300 1 1000 99 99 LYS CD C 29.181 0.300 1 1001 99 99 LYS CE C 42.176 0.300 1 1002 99 99 LYS CG C 24.845 0.300 1 1003 99 99 LYS N N 127.809 0.300 1 1004 100 100 ASP H H 8.584 0.030 1 1005 100 100 ASP HA H 4.998 0.030 1 1006 100 100 ASP HB2 H 2.399 0.030 2 1007 100 100 ASP HB3 H 2.629 0.030 2 1008 100 100 ASP C C 176.704 0.300 1 1009 100 100 ASP CA C 53.808 0.300 1 1010 100 100 ASP CB C 41.878 0.300 1 1011 100 100 ASP N N 120.101 0.300 1 1012 101 101 VAL H H 8.508 0.030 1 1013 101 101 VAL HA H 4.047 0.030 1 1014 101 101 VAL HB H 1.949 0.030 1 1015 101 101 VAL HG1 H 0.832 0.030 1 1016 101 101 VAL HG2 H 0.771 0.030 1 1017 101 101 VAL C C 175.679 0.300 1 1018 101 101 VAL CA C 62.348 0.300 1 1019 101 101 VAL CB C 32.923 0.300 1 1020 101 101 VAL CG1 C 21.264 0.300 2 1021 101 101 VAL CG2 C 21.170 0.300 2 1022 101 101 VAL N N 120.864 0.300 1 1023 102 102 VAL H H 8.184 0.030 1 1024 102 102 VAL HA H 4.050 0.030 1 1025 102 102 VAL HB H 1.945 0.030 1 1026 102 102 VAL HG1 H 0.832 0.030 1 1027 102 102 VAL HG2 H 0.772 0.030 1 1028 102 102 VAL C C 175.535 0.300 1 1029 102 102 VAL CA C 61.802 0.300 1 1030 102 102 VAL CB C 32.950 0.300 1 1031 102 102 VAL CG1 C 21.119 0.300 2 1032 102 102 VAL CG2 C 21.163 0.300 2 1033 102 102 VAL N N 124.929 0.300 1 1034 103 103 ASP H H 8.428 0.030 1 1035 103 103 ASP HA H 4.791 0.030 1 1036 103 103 ASP HB2 H 2.427 0.030 2 1037 103 103 ASP HB3 H 2.670 0.030 2 1038 103 103 ASP C C 174.296 0.300 1 1039 103 103 ASP CA C 52.551 0.300 1 1040 103 103 ASP CB C 40.646 0.300 1 1041 103 103 ASP N N 126.358 0.300 1 1042 104 104 PRO HA H 4.409 0.030 1 1043 104 104 PRO HB2 H 1.975 0.030 2 1044 104 104 PRO HB3 H 2.185 0.030 2 1045 104 104 PRO HD2 H 3.690 0.030 2 1046 104 104 PRO HD3 H 3.790 0.030 2 1047 104 104 PRO HG2 H 1.958 0.030 1 1048 104 104 PRO HG3 H 1.958 0.030 1 1049 104 104 PRO C C 176.173 0.300 1 1050 104 104 PRO CA C 63.290 0.300 1 1051 104 104 PRO CB C 31.901 0.300 1 1052 104 104 PRO CD C 50.608 0.300 1 1053 104 104 PRO CG C 27.011 0.300 1 1054 105 105 SER H H 7.996 0.030 1 1055 105 105 SER HA H 4.151 0.030 1 1056 105 105 SER HB2 H 3.787 0.030 1 1057 105 105 SER HB3 H 3.787 0.030 1 1058 105 105 SER C C 178.748 0.300 1 1059 105 105 SER CA C 60.216 0.300 1 1060 105 105 SER CB C 64.756 0.300 1 1061 105 105 SER N N 122.237 0.300 1 stop_ save_