data_10295 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the homeobox domain of Homeobox protein BarH-like 1 ; _BMRB_accession_number 10295 _BMRB_flat_file_name bmr10295.str _Entry_type new _Submission_date 2008-12-17 _Accession_date 2008-12-18 _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 Ohnishi S. . . 2 Yoneyama M. . . 3 Koshiba S. . . 4 Inoue M. . . 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" 420 "13C chemical shifts" 317 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-17 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the homeobox domain of Homeobox protein BarH-like 1' _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 Ohnishi S. . . 2 Yoneyama M. . . 3 Koshiba S. . . 4 Inoue M. . . 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 'Homeobox protein BarH-like 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'homeobox 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 'homeobox domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; GSSGSSGGEPGTKAKKGRRS RTVFTELQLMGLEKRFEKQK YLSTPDRIDLAESLGLSQLQ VKTWYQNRRMKWKKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 GLU 10 PRO 11 GLY 12 THR 13 LYS 14 ALA 15 LYS 16 LYS 17 GLY 18 ARG 19 ARG 20 SER 21 ARG 22 THR 23 VAL 24 PHE 25 THR 26 GLU 27 LEU 28 GLN 29 LEU 30 MET 31 GLY 32 LEU 33 GLU 34 LYS 35 ARG 36 PHE 37 GLU 38 LYS 39 GLN 40 LYS 41 TYR 42 LEU 43 SER 44 THR 45 PRO 46 ASP 47 ARG 48 ILE 49 ASP 50 LEU 51 ALA 52 GLU 53 SER 54 LEU 55 GLY 56 LEU 57 SER 58 GLN 59 LEU 60 GLN 61 VAL 62 LYS 63 THR 64 TRP 65 TYR 66 GLN 67 ASN 68 ARG 69 ARG 70 MET 71 LYS 72 TRP 73 LYS 74 LYS 75 SER 76 GLY 77 PRO 78 SER 79 SER 80 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-01 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 2DMT "Solution Structure Of The Homeobox Domain Of Homeobox Protein Barh-Like 1" 100.00 80 100.00 100.00 5.43e-48 DBJ BAO79524 "homeobox protein BarH-like 1, partial [Suncus murinus]" 83.75 216 98.51 100.00 1.01e-38 EMBL CAA69257 "homeodomain protein [Mus musculus]" 83.75 147 98.51 98.51 2.06e-38 EMBL CAC10357 "Barx1 homeobox transcription factor [Mus musculus]" 83.75 254 98.51 98.51 1.07e-37 GB AAD21043 "homeodomain-containing transcription factor BarX-1, partial [Gallus gallus]" 83.75 207 98.51 100.00 1.48e-38 GB AAG18573 "homeodomain transcription factor BARX1 [Mus musculus]" 83.75 225 98.51 98.51 5.16e-38 GB AAG23738 "homeobox transcription factor BARX1 [Homo sapiens]" 83.75 225 100.00 100.00 3.81e-39 GB AAH09458 "BARX1 protein [Homo sapiens]" 56.25 100 100.00 100.00 4.17e-23 GB AAH64363 "BARX1 protein [Homo sapiens]" 83.75 254 100.00 100.00 8.62e-39 REF NP_001102350 "homeobox protein BarH-like 1 [Rattus norvegicus]" 83.75 254 100.00 100.00 2.56e-38 REF NP_031552 "homeobox protein BarH-like 1 [Mus musculus]" 83.75 254 98.51 98.51 1.07e-37 REF NP_067545 "homeobox protein BarH-like 1 [Homo sapiens]" 83.75 254 100.00 100.00 8.62e-39 REF XP_001109954 "PREDICTED: homeobox protein BarH-like 1-like [Macaca mulatta]" 83.75 300 100.00 100.00 8.50e-38 REF XP_001507934 "PREDICTED: homeobox protein BarH-like 1 [Ornithorhynchus anatinus]" 82.50 248 98.48 98.48 2.36e-37 SP Q9ER42 "RecName: Full=Homeobox protein BarH-like 1" 83.75 254 98.51 98.51 1.07e-37 SP Q9HBU1 "RecName: Full=Homeobox protein BarH-like 1" 83.75 254 100.00 100.00 8.62e-39 SP Q9W6D8 "RecName: Full=Homeobox protein BarH-like 1" 83.75 207 98.51 100.00 1.48e-38 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 P050919-24 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 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . D2O 10 % . H2O 90 % . 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 0.965 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 'homeobox 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 7 7 GLY HA2 H 4.014 0.030 1 2 7 7 GLY HA3 H 4.014 0.030 1 3 7 7 GLY C C 174.578 0.300 1 4 7 7 GLY CA C 45.445 0.300 1 5 8 8 GLY H H 8.219 0.030 1 6 8 8 GLY HA2 H 3.959 0.030 1 7 8 8 GLY HA3 H 3.959 0.030 1 8 8 8 GLY C C 173.898 0.300 1 9 8 8 GLY CA C 44.923 0.300 1 10 8 8 GLY N N 108.655 0.300 1 11 9 9 GLU H H 8.378 0.030 1 12 9 9 GLU HA H 4.586 0.030 1 13 9 9 GLU HB2 H 1.918 0.030 2 14 9 9 GLU HB3 H 2.048 0.030 2 15 9 9 GLU HG2 H 2.291 0.030 2 16 9 9 GLU C C 175.015 0.300 1 17 9 9 GLU CA C 54.661 0.300 1 18 9 9 GLU CB C 29.534 0.300 1 19 9 9 GLU CG C 36.009 0.300 1 20 9 9 GLU N N 121.838 0.300 1 21 10 10 PRO HA H 4.428 0.030 1 22 10 10 PRO HB2 H 1.973 0.030 2 23 10 10 PRO HB3 H 2.308 0.030 2 24 10 10 PRO HD2 H 3.728 0.030 2 25 10 10 PRO HD3 H 3.840 0.030 2 26 10 10 PRO HG2 H 2.066 0.030 2 27 10 10 PRO HG3 H 2.036 0.030 2 28 10 10 PRO C C 177.856 0.300 1 29 10 10 PRO CA C 63.767 0.300 1 30 10 10 PRO CB C 32.080 0.300 1 31 10 10 PRO CD C 50.707 0.300 1 32 10 10 PRO CG C 27.430 0.300 1 33 11 11 GLY H H 8.556 0.030 1 34 11 11 GLY HA2 H 3.997 0.030 1 35 11 11 GLY HA3 H 3.997 0.030 1 36 11 11 GLY C C 174.724 0.300 1 37 11 11 GLY CA C 45.529 0.300 1 38 11 11 GLY N N 108.931 0.300 1 39 12 12 THR H H 7.973 0.030 1 40 12 12 THR HA H 4.306 0.030 1 41 12 12 THR HB H 4.247 0.030 1 42 12 12 THR HG2 H 1.210 0.030 1 43 12 12 THR C C 174.942 0.300 1 44 12 12 THR CA C 62.240 0.300 1 45 12 12 THR CB C 69.882 0.300 1 46 12 12 THR CG2 C 21.700 0.300 1 47 12 12 THR N N 113.454 0.300 1 48 13 13 LYS H H 8.313 0.030 1 49 13 13 LYS HA H 4.281 0.030 1 50 13 13 LYS HB2 H 1.836 0.030 1 51 13 13 LYS HB3 H 1.836 0.030 1 52 13 13 LYS HD2 H 1.683 0.030 2 53 13 13 LYS HE2 H 2.992 0.030 2 54 13 13 LYS HG2 H 1.476 0.030 2 55 13 13 LYS HG3 H 1.562 0.030 2 56 13 13 LYS C C 176.520 0.300 1 57 13 13 LYS CA C 56.565 0.300 1 58 13 13 LYS CB C 32.590 0.300 1 59 13 13 LYS CD C 29.055 0.300 1 60 13 13 LYS CE C 42.158 0.300 1 61 13 13 LYS CG C 24.810 0.300 1 62 13 13 LYS N N 123.479 0.300 1 63 14 14 ALA H H 8.192 0.030 1 64 14 14 ALA HA H 4.272 0.030 1 65 14 14 ALA HB H 1.372 0.030 1 66 14 14 ALA C C 177.807 0.300 1 67 14 14 ALA CA C 52.581 0.300 1 68 14 14 ALA CB C 19.258 0.300 1 69 14 14 ALA N N 124.692 0.300 1 70 15 15 LYS H H 8.264 0.030 1 71 15 15 LYS HA H 4.296 0.030 1 72 15 15 LYS HB2 H 1.820 0.030 1 73 15 15 LYS HB3 H 1.820 0.030 1 74 15 15 LYS HD2 H 1.647 0.030 2 75 15 15 LYS HE2 H 2.990 0.030 2 76 15 15 LYS HG2 H 1.449 0.030 2 77 15 15 LYS C C 176.812 0.300 1 78 15 15 LYS CA C 56.403 0.300 1 79 15 15 LYS CB C 32.979 0.300 1 80 15 15 LYS CD C 29.209 0.300 1 81 15 15 LYS CE C 42.246 0.300 1 82 15 15 LYS CG C 24.892 0.300 1 83 15 15 LYS N N 120.979 0.300 1 84 16 16 LYS H H 8.330 0.030 1 85 16 16 LYS HA H 4.289 0.030 1 86 16 16 LYS HB2 H 1.768 0.030 2 87 16 16 LYS HB3 H 1.845 0.030 2 88 16 16 LYS HG2 H 1.455 0.030 2 89 16 16 LYS C C 177.103 0.300 1 90 16 16 LYS CB C 33.072 0.300 1 91 16 16 LYS CD C 29.292 0.300 1 92 16 16 LYS CE C 42.122 0.300 1 93 16 16 LYS CG C 24.909 0.300 1 94 16 16 LYS N N 122.581 0.300 1 95 22 22 THR HA H 4.294 0.030 1 96 22 22 THR HB H 4.096 0.030 1 97 22 22 THR HG2 H 1.055 0.030 1 98 22 22 THR C C 174.020 0.300 1 99 22 22 THR CA C 61.928 0.300 1 100 22 22 THR CB C 69.730 0.300 1 101 22 22 THR CG2 C 21.699 0.300 1 102 23 23 VAL H H 8.087 0.030 1 103 23 23 VAL HA H 4.112 0.030 1 104 23 23 VAL HB H 1.984 0.030 1 105 23 23 VAL HG1 H 0.829 0.030 1 106 23 23 VAL HG2 H 0.805 0.030 1 107 23 23 VAL C C 175.646 0.300 1 108 23 23 VAL CA C 62.011 0.300 1 109 23 23 VAL CB C 33.060 0.300 1 110 23 23 VAL CG1 C 20.277 0.300 2 111 23 23 VAL CG2 C 21.042 0.300 2 112 23 23 VAL N N 123.252 0.300 1 113 24 24 PHE H H 8.220 0.030 1 114 24 24 PHE HA H 4.976 0.030 1 115 24 24 PHE HB2 H 2.864 0.030 2 116 24 24 PHE HB3 H 3.204 0.030 2 117 24 24 PHE HD1 H 7.131 0.030 1 118 24 24 PHE HD2 H 7.131 0.030 1 119 24 24 PHE HE1 H 7.245 0.030 1 120 24 24 PHE HE2 H 7.245 0.030 1 121 24 24 PHE HZ H 7.416 0.030 1 122 24 24 PHE C C 176.739 0.300 1 123 24 24 PHE CA C 56.389 0.300 1 124 24 24 PHE CB C 40.492 0.300 1 125 24 24 PHE CD1 C 131.219 0.300 1 126 24 24 PHE CD2 C 131.219 0.300 1 127 24 24 PHE CE1 C 131.281 0.300 1 128 24 24 PHE CE2 C 131.281 0.300 1 129 24 24 PHE CZ C 129.168 0.300 1 130 24 24 PHE N N 123.332 0.300 1 131 25 25 THR H H 9.003 0.030 1 132 25 25 THR HA H 4.470 0.030 1 133 25 25 THR HB H 4.774 0.030 1 134 25 25 THR HG2 H 1.310 0.030 1 135 25 25 THR C C 175.209 0.300 1 136 25 25 THR CA C 60.598 0.300 1 137 25 25 THR CB C 70.801 0.300 1 138 25 25 THR CG2 C 21.536 0.300 1 139 25 25 THR N N 113.078 0.300 1 140 26 26 GLU H H 8.991 0.030 1 141 26 26 GLU HA H 4.036 0.030 1 142 26 26 GLU HB2 H 2.084 0.030 1 143 26 26 GLU HB3 H 2.084 0.030 1 144 26 26 GLU HG2 H 2.398 0.030 2 145 26 26 GLU HG3 H 2.324 0.030 2 146 26 26 GLU C C 179.118 0.300 1 147 26 26 GLU CA C 60.222 0.300 1 148 26 26 GLU CB C 29.271 0.300 1 149 26 26 GLU CG C 36.675 0.300 1 150 26 26 GLU N N 120.978 0.300 1 151 27 27 LEU H H 8.120 0.030 1 152 27 27 LEU HA H 4.117 0.030 1 153 27 27 LEU HB2 H 1.697 0.030 2 154 27 27 LEU HB3 H 1.536 0.030 2 155 27 27 LEU HD1 H 0.929 0.030 1 156 27 27 LEU HD2 H 0.882 0.030 1 157 27 27 LEU HG H 1.656 0.030 1 158 27 27 LEU C C 180.623 0.300 1 159 27 27 LEU CA C 58.187 0.300 1 160 27 27 LEU CB C 42.220 0.300 1 161 27 27 LEU CD1 C 24.808 0.300 2 162 27 27 LEU CD2 C 24.168 0.300 2 163 27 27 LEU CG C 27.134 0.300 1 164 27 27 LEU N N 118.897 0.300 1 165 28 28 GLN H H 7.733 0.030 1 166 28 28 GLN HA H 3.864 0.030 1 167 28 28 GLN HB2 H 1.525 0.030 2 168 28 28 GLN HB3 H 2.620 0.030 2 169 28 28 GLN HE21 H 7.493 0.030 2 170 28 28 GLN HE22 H 6.573 0.030 2 171 28 28 GLN HG2 H 2.543 0.030 1 172 28 28 GLN HG3 H 2.543 0.030 1 173 28 28 GLN C C 177.492 0.300 1 174 28 28 GLN CA C 59.212 0.300 1 175 28 28 GLN CB C 27.740 0.300 1 176 28 28 GLN CG C 34.797 0.300 1 177 28 28 GLN N N 119.947 0.300 1 178 28 28 GLN NE2 N 109.659 0.300 1 179 29 29 LEU H H 8.336 0.030 1 180 29 29 LEU HA H 3.665 0.030 1 181 29 29 LEU HB2 H 1.569 0.030 2 182 29 29 LEU HB3 H 1.795 0.030 2 183 29 29 LEU HD1 H 0.934 0.030 1 184 29 29 LEU HD2 H 0.818 0.030 1 185 29 29 LEU HG H 1.698 0.030 1 186 29 29 LEU C C 179.118 0.300 1 187 29 29 LEU CA C 58.068 0.300 1 188 29 29 LEU CB C 41.582 0.300 1 189 29 29 LEU CD1 C 25.126 0.300 2 190 29 29 LEU CD2 C 23.502 0.300 2 191 29 29 LEU CG C 26.950 0.300 1 192 29 29 LEU N N 118.154 0.300 1 193 30 30 MET H H 8.282 0.030 1 194 30 30 MET HA H 4.118 0.030 1 195 30 30 MET HB2 H 2.170 0.030 2 196 30 30 MET HB3 H 2.067 0.030 2 197 30 30 MET HE H 2.076 0.030 1 198 30 30 MET HG2 H 2.556 0.030 2 199 30 30 MET HG3 H 2.715 0.030 2 200 30 30 MET C C 179.070 0.300 1 201 30 30 MET CA C 58.583 0.300 1 202 30 30 MET CB C 32.665 0.300 1 203 30 30 MET CE C 16.930 0.300 1 204 30 30 MET CG C 32.012 0.300 1 205 30 30 MET N N 117.314 0.300 1 206 31 31 GLY H H 7.904 0.030 1 207 31 31 GLY HA2 H 3.787 0.030 2 208 31 31 GLY HA3 H 3.631 0.030 2 209 31 31 GLY C C 176.618 0.300 1 210 31 31 GLY CA C 47.231 0.300 1 211 31 31 GLY N N 107.053 0.300 1 212 32 32 LEU H H 7.982 0.030 1 213 32 32 LEU HA H 3.577 0.030 1 214 32 32 LEU HB2 H -1.035 0.030 2 215 32 32 LEU HB3 H 0.605 0.030 2 216 32 32 LEU HD1 H -0.533 0.030 1 217 32 32 LEU HD2 H 0.434 0.030 1 218 32 32 LEU HG H 1.124 0.030 1 219 32 32 LEU C C 177.564 0.300 1 220 32 32 LEU CA C 58.318 0.300 1 221 32 32 LEU CB C 38.280 0.300 1 222 32 32 LEU CD1 C 23.875 0.300 2 223 32 32 LEU CD2 C 22.436 0.300 2 224 32 32 LEU CG C 25.599 0.300 1 225 32 32 LEU N N 125.323 0.300 1 226 33 33 GLU H H 8.054 0.030 1 227 33 33 GLU HA H 4.283 0.030 1 228 33 33 GLU HB2 H 2.051 0.030 2 229 33 33 GLU HB3 H 2.101 0.030 2 230 33 33 GLU HG2 H 2.387 0.030 2 231 33 33 GLU HG3 H 2.519 0.030 2 232 33 33 GLU C C 180.041 0.300 1 233 33 33 GLU CA C 59.157 0.300 1 234 33 33 GLU CB C 29.155 0.300 1 235 33 33 GLU CG C 34.875 0.300 1 236 33 33 GLU N N 118.448 0.300 1 237 34 34 LYS H H 8.229 0.030 1 238 34 34 LYS HA H 4.099 0.030 1 239 34 34 LYS HB2 H 1.934 0.030 2 240 34 34 LYS HB3 H 1.826 0.030 2 241 34 34 LYS HD2 H 1.670 0.030 2 242 34 34 LYS HE2 H 2.973 0.030 2 243 34 34 LYS HG2 H 1.585 0.030 2 244 34 34 LYS HG3 H 1.490 0.030 2 245 34 34 LYS C C 179.822 0.300 1 246 34 34 LYS CA C 58.789 0.300 1 247 34 34 LYS CB C 32.073 0.300 1 248 34 34 LYS CD C 28.985 0.300 1 249 34 34 LYS CE C 42.083 0.300 1 250 34 34 LYS CG C 25.203 0.300 1 251 34 34 LYS N N 118.230 0.300 1 252 35 35 ARG H H 7.560 0.030 1 253 35 35 ARG HA H 4.190 0.030 1 254 35 35 ARG HB2 H 1.855 0.030 2 255 35 35 ARG HB3 H 2.360 0.030 2 256 35 35 ARG HD2 H 3.247 0.030 2 257 35 35 ARG HD3 H 3.454 0.030 2 258 35 35 ARG HG2 H 1.790 0.030 2 259 35 35 ARG HG3 H 2.033 0.030 2 260 35 35 ARG C C 178.001 0.300 1 261 35 35 ARG CA C 57.095 0.300 1 262 35 35 ARG CB C 28.882 0.300 1 263 35 35 ARG CD C 42.089 0.300 1 264 35 35 ARG CG C 27.249 0.300 1 265 35 35 ARG N N 120.162 0.300 1 266 36 36 PHE H H 8.810 0.030 1 267 36 36 PHE HA H 4.227 0.030 1 268 36 36 PHE HB2 H 3.149 0.030 2 269 36 36 PHE HB3 H 3.083 0.030 2 270 36 36 PHE HD1 H 7.300 0.030 1 271 36 36 PHE HD2 H 7.300 0.030 1 272 36 36 PHE HE1 H 6.772 0.030 1 273 36 36 PHE HE2 H 6.772 0.030 1 274 36 36 PHE HZ H 6.426 0.030 1 275 36 36 PHE C C 176.520 0.300 1 276 36 36 PHE CA C 60.886 0.300 1 277 36 36 PHE CB C 39.333 0.300 1 278 36 36 PHE CD1 C 131.903 0.300 1 279 36 36 PHE CD2 C 131.903 0.300 1 280 36 36 PHE CE1 C 130.163 0.300 1 281 36 36 PHE CE2 C 130.163 0.300 1 282 36 36 PHE CZ C 128.609 0.300 1 283 36 36 PHE N N 122.860 0.300 1 284 37 37 GLU H H 7.772 0.030 1 285 37 37 GLU HA H 3.701 0.030 1 286 37 37 GLU HB2 H 2.182 0.030 2 287 37 37 GLU HB3 H 2.064 0.030 2 288 37 37 GLU HG2 H 2.522 0.030 2 289 37 37 GLU HG3 H 2.285 0.030 2 290 37 37 GLU C C 177.297 0.300 1 291 37 37 GLU CA C 59.036 0.300 1 292 37 37 GLU CB C 29.981 0.300 1 293 37 37 GLU CG C 36.335 0.300 1 294 37 37 GLU N N 116.313 0.300 1 295 38 38 LYS H H 7.005 0.030 1 296 38 38 LYS HA H 4.280 0.030 1 297 38 38 LYS HB2 H 1.921 0.030 1 298 38 38 LYS HB3 H 1.921 0.030 1 299 38 38 LYS HD2 H 1.670 0.030 2 300 38 38 LYS HE2 H 2.980 0.030 2 301 38 38 LYS HG2 H 1.559 0.030 2 302 38 38 LYS HG3 H 1.479 0.030 2 303 38 38 LYS C C 177.079 0.300 1 304 38 38 LYS CA C 56.741 0.300 1 305 38 38 LYS CB C 34.301 0.300 1 306 38 38 LYS CD C 28.985 0.300 1 307 38 38 LYS CE C 42.164 0.300 1 308 38 38 LYS CG C 24.923 0.300 1 309 38 38 LYS N N 114.632 0.300 1 310 39 39 GLN H H 8.641 0.030 1 311 39 39 GLN HA H 4.509 0.030 1 312 39 39 GLN HB2 H 1.827 0.030 2 313 39 39 GLN HB3 H 1.962 0.030 2 314 39 39 GLN HE21 H 7.556 0.030 2 315 39 39 GLN HE22 H 7.367 0.030 2 316 39 39 GLN HG2 H 2.285 0.030 1 317 39 39 GLN HG3 H 2.285 0.030 1 318 39 39 GLN C C 173.340 0.300 1 319 39 39 GLN CA C 55.527 0.300 1 320 39 39 GLN CB C 31.827 0.300 1 321 39 39 GLN CG C 34.260 0.300 1 322 39 39 GLN N N 120.830 0.300 1 323 39 39 GLN NE2 N 113.378 0.300 1 324 40 40 LYS H H 8.474 0.030 1 325 40 40 LYS HA H 3.598 0.030 1 326 40 40 LYS HB2 H 0.943 0.030 2 327 40 40 LYS HB3 H 1.526 0.030 2 328 40 40 LYS HD2 H -0.372 0.030 2 329 40 40 LYS HD3 H -0.149 0.030 2 330 40 40 LYS HE2 H 1.733 0.030 2 331 40 40 LYS HE3 H 2.026 0.030 2 332 40 40 LYS HG2 H 0.462 0.030 2 333 40 40 LYS HG3 H 0.637 0.030 2 334 40 40 LYS C C 174.530 0.300 1 335 40 40 LYS CA C 56.459 0.300 1 336 40 40 LYS CB C 32.276 0.300 1 337 40 40 LYS CD C 27.108 0.300 1 338 40 40 LYS CE C 41.523 0.300 1 339 40 40 LYS CG C 23.965 0.300 1 340 40 40 LYS N N 125.122 0.300 1 341 41 41 TYR H H 7.513 0.030 1 342 41 41 TYR HA H 4.537 0.030 1 343 41 41 TYR HB2 H 2.704 0.030 2 344 41 41 TYR HB3 H 2.936 0.030 2 345 41 41 TYR HD1 H 7.125 0.030 1 346 41 41 TYR HD2 H 7.125 0.030 1 347 41 41 TYR HE1 H 6.871 0.030 1 348 41 41 TYR HE2 H 6.871 0.030 1 349 41 41 TYR C C 174.700 0.300 1 350 41 41 TYR CA C 56.743 0.300 1 351 41 41 TYR CB C 41.274 0.300 1 352 41 41 TYR CD1 C 133.659 0.300 1 353 41 41 TYR CD2 C 133.659 0.300 1 354 41 41 TYR CE1 C 117.896 0.300 1 355 41 41 TYR CE2 C 117.896 0.300 1 356 41 41 TYR N N 113.703 0.300 1 357 42 42 LEU H H 8.544 0.030 1 358 42 42 LEU HA H 4.610 0.030 1 359 42 42 LEU HB2 H 1.248 0.030 2 360 42 42 LEU HB3 H 1.545 0.030 2 361 42 42 LEU HD1 H 0.294 0.030 1 362 42 42 LEU HD2 H 0.513 0.030 1 363 42 42 LEU HG H 0.678 0.030 1 364 42 42 LEU C C 177.273 0.300 1 365 42 42 LEU CA C 53.408 0.300 1 366 42 42 LEU CB C 44.040 0.300 1 367 42 42 LEU CD1 C 26.897 0.300 2 368 42 42 LEU CD2 C 22.787 0.300 2 369 42 42 LEU CG C 26.321 0.300 1 370 42 42 LEU N N 123.003 0.300 1 371 43 43 SER H H 8.651 0.030 1 372 43 43 SER HA H 4.621 0.030 1 373 43 43 SER HB2 H 4.213 0.030 2 374 43 43 SER HB3 H 4.029 0.030 2 375 43 43 SER C C 174.530 0.300 1 376 43 43 SER CA C 57.053 0.300 1 377 43 43 SER CB C 64.786 0.300 1 378 43 43 SER N N 118.850 0.300 1 379 44 44 THR H H 9.159 0.030 1 380 44 44 THR HA H 4.428 0.030 1 381 44 44 THR HB H 4.044 0.030 1 382 44 44 THR HG2 H 1.254 0.030 1 383 44 44 THR C C 175.428 0.300 1 384 44 44 THR CA C 66.563 0.300 1 385 44 44 THR CB C 69.210 0.300 1 386 44 44 THR CG2 C 22.628 0.300 1 387 44 44 THR N N 117.903 0.300 1 388 45 45 PRO HA H 4.188 0.030 1 389 45 45 PRO HB2 H 1.804 0.030 2 390 45 45 PRO HB3 H 2.296 0.030 2 391 45 45 PRO HD2 H 3.667 0.030 2 392 45 45 PRO HD3 H 3.851 0.030 2 393 45 45 PRO HG2 H 1.936 0.030 2 394 45 45 PRO HG3 H 2.064 0.030 2 395 45 45 PRO C C 179.312 0.300 1 396 45 45 PRO CA C 66.163 0.300 1 397 45 45 PRO CB C 30.975 0.300 1 398 45 45 PRO CD C 49.530 0.300 1 399 45 45 PRO CG C 28.244 0.300 1 400 46 46 ASP H H 7.289 0.030 1 401 46 46 ASP HA H 4.387 0.030 1 402 46 46 ASP HB2 H 2.497 0.030 2 403 46 46 ASP HB3 H 2.877 0.030 2 404 46 46 ASP C C 178.390 0.300 1 405 46 46 ASP CA C 56.974 0.300 1 406 46 46 ASP CB C 41.498 0.300 1 407 46 46 ASP N N 117.060 0.300 1 408 47 47 ARG H H 8.493 0.030 1 409 47 47 ARG HA H 3.754 0.030 1 410 47 47 ARG HB2 H 1.872 0.030 2 411 47 47 ARG HB3 H 2.017 0.030 2 412 47 47 ARG HD2 H 3.497 0.030 2 413 47 47 ARG HD3 H 3.341 0.030 2 414 47 47 ARG HG2 H 1.590 0.030 2 415 47 47 ARG HG3 H 1.419 0.030 2 416 47 47 ARG C C 177.880 0.300 1 417 47 47 ARG CA C 60.123 0.300 1 418 47 47 ARG CB C 30.355 0.300 1 419 47 47 ARG CD C 43.759 0.300 1 420 47 47 ARG CG C 28.534 0.300 1 421 47 47 ARG N N 122.143 0.300 1 422 48 48 ILE H H 8.219 0.030 1 423 48 48 ILE HA H 3.475 0.030 1 424 48 48 ILE HB H 1.814 0.030 1 425 48 48 ILE HD1 H 0.813 0.030 1 426 48 48 ILE HG12 H 0.959 0.030 2 427 48 48 ILE HG13 H 1.734 0.030 2 428 48 48 ILE HG2 H 0.925 0.030 1 429 48 48 ILE C C 178.026 0.300 1 430 48 48 ILE CA C 66.105 0.300 1 431 48 48 ILE CB C 38.440 0.300 1 432 48 48 ILE CD1 C 13.950 0.300 1 433 48 48 ILE CG1 C 29.433 0.300 1 434 48 48 ILE CG2 C 16.801 0.300 1 435 48 48 ILE N N 119.888 0.300 1 436 49 49 ASP H H 7.775 0.030 1 437 49 49 ASP HA H 4.406 0.030 1 438 49 49 ASP HB2 H 2.764 0.030 2 439 49 49 ASP HB3 H 2.724 0.030 2 440 49 49 ASP C C 178.900 0.300 1 441 49 49 ASP CA C 57.380 0.300 1 442 49 49 ASP CB C 41.523 0.300 1 443 49 49 ASP N N 119.245 0.300 1 444 50 50 LEU H H 8.344 0.030 1 445 50 50 LEU HA H 4.090 0.030 1 446 50 50 LEU HB2 H 1.535 0.030 2 447 50 50 LEU HB3 H 1.769 0.030 2 448 50 50 LEU HD1 H 0.870 0.030 1 449 50 50 LEU HD2 H 0.920 0.030 1 450 50 50 LEU HG H 1.429 0.030 1 451 50 50 LEU C C 178.705 0.300 1 452 50 50 LEU CA C 57.651 0.300 1 453 50 50 LEU CB C 42.526 0.300 1 454 50 50 LEU CD1 C 23.703 0.300 2 455 50 50 LEU CD2 C 27.291 0.300 2 456 50 50 LEU CG C 26.886 0.300 1 457 50 50 LEU N N 121.649 0.300 1 458 51 51 ALA H H 8.513 0.030 1 459 51 51 ALA HA H 3.611 0.030 1 460 51 51 ALA HB H 1.383 0.030 1 461 51 51 ALA C C 179.749 0.300 1 462 51 51 ALA CA C 56.139 0.300 1 463 51 51 ALA CB C 17.519 0.300 1 464 51 51 ALA N N 120.902 0.300 1 465 52 52 GLU H H 8.285 0.030 1 466 52 52 GLU HA H 4.097 0.030 1 467 52 52 GLU HB2 H 2.106 0.030 2 468 52 52 GLU HB3 H 2.199 0.030 2 469 52 52 GLU HG2 H 2.460 0.030 2 470 52 52 GLU HG3 H 2.314 0.030 2 471 52 52 GLU C C 180.114 0.300 1 472 52 52 GLU CA C 59.307 0.300 1 473 52 52 GLU CB C 29.408 0.300 1 474 52 52 GLU CG C 36.442 0.300 1 475 52 52 GLU N N 116.933 0.300 1 476 53 53 SER H H 8.229 0.030 1 477 53 53 SER HA H 4.251 0.030 1 478 53 53 SER HB2 H 4.007 0.030 1 479 53 53 SER HB3 H 4.007 0.030 1 480 53 53 SER C C 176.059 0.300 1 481 53 53 SER CA C 61.347 0.300 1 482 53 53 SER CB C 63.235 0.300 1 483 53 53 SER N N 114.615 0.300 1 484 54 54 LEU H H 7.675 0.030 1 485 54 54 LEU HA H 4.513 0.030 1 486 54 54 LEU HB2 H 1.397 0.030 2 487 54 54 LEU HB3 H 1.597 0.030 2 488 54 54 LEU HD1 H 0.675 0.030 1 489 54 54 LEU HD2 H 0.810 0.030 1 490 54 54 LEU HG H 1.874 0.030 1 491 54 54 LEU C C 177.516 0.300 1 492 54 54 LEU CA C 54.422 0.300 1 493 54 54 LEU CB C 43.880 0.300 1 494 54 54 LEU CD1 C 26.708 0.300 2 495 54 54 LEU CD2 C 22.588 0.300 2 496 54 54 LEU CG C 26.170 0.300 1 497 54 54 LEU N N 117.401 0.300 1 498 55 55 GLY H H 7.941 0.030 1 499 55 55 GLY HA2 H 3.982 0.030 2 500 55 55 GLY HA3 H 4.026 0.030 2 501 55 55 GLY C C 174.360 0.300 1 502 55 55 GLY CA C 46.728 0.300 1 503 55 55 GLY N N 111.061 0.300 1 504 56 56 LEU H H 8.190 0.030 1 505 56 56 LEU HA H 4.803 0.030 1 506 56 56 LEU HB2 H 1.278 0.030 2 507 56 56 LEU HB3 H 1.643 0.030 2 508 56 56 LEU HD1 H 0.538 0.030 1 509 56 56 LEU HD2 H 0.656 0.030 1 510 56 56 LEU HG H 1.340 0.030 1 511 56 56 LEU C C 175.914 0.300 1 512 56 56 LEU CA C 52.510 0.300 1 513 56 56 LEU CB C 47.484 0.300 1 514 56 56 LEU CD1 C 27.561 0.300 2 515 56 56 LEU CD2 C 23.805 0.300 2 516 56 56 LEU CG C 26.700 0.300 1 517 56 56 LEU N N 119.967 0.300 1 518 57 57 SER H H 9.037 0.030 1 519 57 57 SER HA H 4.423 0.030 1 520 57 57 SER HB2 H 3.962 0.030 2 521 57 57 SER HB3 H 4.440 0.030 2 522 57 57 SER C C 176.618 0.300 1 523 57 57 SER CA C 56.189 0.300 1 524 57 57 SER CB C 65.579 0.300 1 525 57 57 SER N N 115.098 0.300 1 526 58 58 GLN HA H 3.741 0.030 1 527 58 58 GLN HB2 H 2.090 0.030 1 528 58 58 GLN HB3 H 2.090 0.030 1 529 58 58 GLN HE21 H 7.019 0.030 2 530 58 58 GLN HE22 H 7.768 0.030 2 531 58 58 GLN HG2 H 2.559 0.030 2 532 58 58 GLN HG3 H 2.110 0.030 2 533 58 58 GLN C C 177.904 0.300 1 534 58 58 GLN CA C 60.504 0.300 1 535 58 58 GLN CB C 28.365 0.300 1 536 58 58 GLN CG C 34.864 0.300 1 537 58 58 GLN NE2 N 113.021 0.300 1 538 59 59 LEU H H 8.207 0.030 1 539 59 59 LEU HA H 4.192 0.030 1 540 59 59 LEU HB2 H 1.692 0.030 1 541 59 59 LEU HB3 H 1.692 0.030 1 542 59 59 LEU HD1 H 0.968 0.030 1 543 59 59 LEU HD2 H 0.929 0.030 1 544 59 59 LEU HG H 1.643 0.030 1 545 59 59 LEU C C 179.871 0.300 1 546 59 59 LEU CA C 57.878 0.300 1 547 59 59 LEU CB C 41.747 0.300 1 548 59 59 LEU CD1 C 23.615 0.300 2 549 59 59 LEU CD2 C 24.938 0.300 2 550 59 59 LEU CG C 27.184 0.300 1 551 59 59 LEU N N 120.246 0.300 1 552 60 60 GLN H H 8.125 0.030 1 553 60 60 GLN HA H 4.214 0.030 1 554 60 60 GLN HB2 H 1.994 0.030 2 555 60 60 GLN HB3 H 2.649 0.030 2 556 60 60 GLN HE21 H 7.263 0.030 2 557 60 60 GLN HE22 H 6.890 0.030 2 558 60 60 GLN HG2 H 2.490 0.030 2 559 60 60 GLN HG3 H 2.534 0.030 2 560 60 60 GLN C C 179.434 0.300 1 561 60 60 GLN CA C 59.530 0.300 1 562 60 60 GLN CB C 29.651 0.300 1 563 60 60 GLN CG C 35.515 0.300 1 564 60 60 GLN N N 120.637 0.300 1 565 60 60 GLN NE2 N 112.368 0.300 1 566 61 61 VAL H H 7.717 0.030 1 567 61 61 VAL HA H 3.673 0.030 1 568 61 61 VAL HB H 2.160 0.030 1 569 61 61 VAL HG1 H 0.987 0.030 1 570 61 61 VAL HG2 H 0.961 0.030 1 571 61 61 VAL C C 176.982 0.300 1 572 61 61 VAL CA C 67.670 0.300 1 573 61 61 VAL CB C 31.899 0.300 1 574 61 61 VAL CG1 C 23.584 0.300 2 575 61 61 VAL CG2 C 23.771 0.300 2 576 61 61 VAL N N 118.389 0.300 1 577 62 62 LYS H H 8.578 0.030 1 578 62 62 LYS HA H 4.423 0.030 1 579 62 62 LYS HB2 H 1.879 0.030 2 580 62 62 LYS HB3 H 2.099 0.030 2 581 62 62 LYS HD2 H 1.668 0.030 1 582 62 62 LYS HD3 H 1.668 0.030 1 583 62 62 LYS HE2 H 2.973 0.030 2 584 62 62 LYS HG2 H 1.593 0.030 2 585 62 62 LYS HG3 H 1.453 0.030 2 586 62 62 LYS C C 179.749 0.300 1 587 62 62 LYS CA C 59.821 0.300 1 588 62 62 LYS CB C 33.793 0.300 1 589 62 62 LYS CD C 30.125 0.300 1 590 62 62 LYS CE C 42.164 0.300 1 591 62 62 LYS CG C 25.071 0.300 1 592 62 62 LYS N N 120.540 0.300 1 593 63 63 THR H H 8.722 0.030 1 594 63 63 THR HA H 4.007 0.030 1 595 63 63 THR HB H 4.401 0.030 1 596 63 63 THR HG2 H 1.338 0.030 1 597 63 63 THR C C 176.059 0.300 1 598 63 63 THR CA C 66.527 0.300 1 599 63 63 THR CB C 69.236 0.300 1 600 63 63 THR CG2 C 21.533 0.300 1 601 63 63 THR N N 115.962 0.300 1 602 64 64 TRP H H 8.506 0.030 1 603 64 64 TRP HA H 4.064 0.030 1 604 64 64 TRP HB2 H 3.482 0.030 2 605 64 64 TRP HB3 H 3.393 0.030 2 606 64 64 TRP HD1 H 6.847 0.030 1 607 64 64 TRP HE1 H 9.517 0.030 1 608 64 64 TRP HE3 H 7.204 0.030 1 609 64 64 TRP HH2 H 6.426 0.030 1 610 64 64 TRP HZ2 H 7.265 0.030 1 611 64 64 TRP HZ3 H 5.986 0.030 1 612 64 64 TRP C C 179.264 0.300 1 613 64 64 TRP CA C 63.070 0.300 1 614 64 64 TRP CB C 29.048 0.300 1 615 64 64 TRP CD1 C 127.179 0.300 1 616 64 64 TRP CE3 C 121.021 0.300 1 617 64 64 TRP CH2 C 123.947 0.300 1 618 64 64 TRP CZ2 C 114.250 0.300 1 619 64 64 TRP CZ3 C 121.100 0.300 1 620 64 64 TRP N N 123.609 0.300 1 621 64 64 TRP NE1 N 128.709 0.300 1 622 65 65 TYR H H 9.152 0.030 1 623 65 65 TYR HA H 3.660 0.030 1 624 65 65 TYR HB2 H 3.654 0.030 2 625 65 65 TYR HB3 H 3.095 0.030 2 626 65 65 TYR HD1 H 6.768 0.030 1 627 65 65 TYR HD2 H 6.768 0.030 1 628 65 65 TYR HE1 H 6.776 0.030 1 629 65 65 TYR HE2 H 6.776 0.030 1 630 65 65 TYR C C 178.535 0.300 1 631 65 65 TYR CA C 63.749 0.300 1 632 65 65 TYR CB C 39.082 0.300 1 633 65 65 TYR CD1 C 132.587 0.300 1 634 65 65 TYR CD2 C 132.587 0.300 1 635 65 65 TYR CE1 C 118.477 0.300 1 636 65 65 TYR CE2 C 118.477 0.300 1 637 65 65 TYR N N 121.400 0.300 1 638 66 66 GLN H H 7.981 0.030 1 639 66 66 GLN HA H 4.036 0.030 1 640 66 66 GLN HB2 H 2.310 0.030 2 641 66 66 GLN HB3 H 2.159 0.030 2 642 66 66 GLN HE21 H 7.551 0.030 2 643 66 66 GLN HE22 H 6.976 0.030 2 644 66 66 GLN HG2 H 2.562 0.030 2 645 66 66 GLN HG3 H 2.513 0.030 2 646 66 66 GLN C C 179.045 0.300 1 647 66 66 GLN CA C 59.255 0.300 1 648 66 66 GLN CB C 28.207 0.300 1 649 66 66 GLN CG C 33.663 0.300 1 650 66 66 GLN N N 116.821 0.300 1 651 66 66 GLN NE2 N 111.637 0.300 1 652 67 67 ASN H H 7.862 0.030 1 653 67 67 ASN HA H 4.367 0.030 1 654 67 67 ASN HB2 H 2.484 0.030 2 655 67 67 ASN HB3 H 2.665 0.030 2 656 67 67 ASN HD21 H 7.513 0.030 2 657 67 67 ASN HD22 H 6.957 0.030 2 658 67 67 ASN C C 177.759 0.300 1 659 67 67 ASN CA C 55.852 0.300 1 660 67 67 ASN CB C 38.119 0.300 1 661 67 67 ASN N N 118.257 0.300 1 662 67 67 ASN ND2 N 113.093 0.300 1 663 68 68 ARG H H 8.533 0.030 1 664 68 68 ARG HA H 3.430 0.030 1 665 68 68 ARG HB2 H -0.611 0.030 2 666 68 68 ARG HB3 H 0.507 0.030 2 667 68 68 ARG HD2 H 2.401 0.030 2 668 68 68 ARG HD3 H 2.065 0.030 2 669 68 68 ARG HE H 9.375 0.030 1 670 68 68 ARG HG2 H -0.374 0.030 2 671 68 68 ARG HG3 H -0.656 0.030 2 672 68 68 ARG C C 179.992 0.300 1 673 68 68 ARG CA C 56.391 0.300 1 674 68 68 ARG CB C 27.959 0.300 1 675 68 68 ARG CD C 40.636 0.300 1 676 68 68 ARG CG C 23.173 0.300 1 677 68 68 ARG N N 123.922 0.300 1 678 68 68 ARG NE N 89.041 0.300 1 679 69 69 ARG H H 8.226 0.030 1 680 69 69 ARG HA H 4.357 0.030 1 681 69 69 ARG HB2 H 2.017 0.030 2 682 69 69 ARG HB3 H 2.257 0.030 2 683 69 69 ARG HD2 H 2.882 0.030 2 684 69 69 ARG HD3 H 3.043 0.030 2 685 69 69 ARG HG2 H 1.522 0.030 2 686 69 69 ARG HG3 H 2.230 0.030 2 687 69 69 ARG C C 178.535 0.300 1 688 69 69 ARG CA C 60.681 0.300 1 689 69 69 ARG CB C 31.938 0.300 1 690 69 69 ARG CD C 43.827 0.300 1 691 69 69 ARG CG C 30.950 0.300 1 692 69 69 ARG N N 118.839 0.300 1 693 70 70 MET H H 7.480 0.030 1 694 70 70 MET HA H 4.287 0.030 1 695 70 70 MET HB2 H 2.231 0.030 2 696 70 70 MET HB3 H 2.174 0.030 2 697 70 70 MET HE H 2.119 0.030 1 698 70 70 MET HG2 H 2.654 0.030 2 699 70 70 MET HG3 H 2.801 0.030 2 700 70 70 MET C C 178.098 0.300 1 701 70 70 MET CA C 58.381 0.300 1 702 70 70 MET CB C 32.011 0.300 1 703 70 70 MET CE C 16.989 0.300 1 704 70 70 MET CG C 32.003 0.300 1 705 70 70 MET N N 118.164 0.300 1 706 71 71 LYS H H 7.298 0.030 1 707 71 71 LYS HA H 4.086 0.030 1 708 71 71 LYS HB2 H 1.801 0.030 2 709 71 71 LYS HB3 H 1.741 0.030 2 710 71 71 LYS HD2 H 1.514 0.030 1 711 71 71 LYS HD3 H 1.514 0.030 1 712 71 71 LYS HE2 H 2.847 0.030 1 713 71 71 LYS HE3 H 2.847 0.030 1 714 71 71 LYS HG2 H 1.290 0.030 2 715 71 71 LYS HG3 H 1.422 0.030 2 716 71 71 LYS C C 177.831 0.300 1 717 71 71 LYS CA C 58.324 0.300 1 718 71 71 LYS CB C 32.732 0.300 1 719 71 71 LYS CD C 29.297 0.300 1 720 71 71 LYS CE C 42.040 0.300 1 721 71 71 LYS CG C 24.892 0.300 1 722 71 71 LYS N N 118.798 0.300 1 723 72 72 TRP H H 7.952 0.030 1 724 72 72 TRP HA H 4.721 0.030 1 725 72 72 TRP HB2 H 3.755 0.030 2 726 72 72 TRP HB3 H 3.358 0.030 2 727 72 72 TRP HD1 H 7.454 0.030 1 728 72 72 TRP HE1 H 10.325 0.030 1 729 72 72 TRP HE3 H 7.707 0.030 1 730 72 72 TRP HH2 H 7.313 0.030 1 731 72 72 TRP HZ2 H 7.532 0.030 1 732 72 72 TRP HZ3 H 7.120 0.030 1 733 72 72 TRP C C 177.152 0.300 1 734 72 72 TRP CA C 58.506 0.300 1 735 72 72 TRP CB C 29.602 0.300 1 736 72 72 TRP CD1 C 127.117 0.300 1 737 72 72 TRP CE3 C 119.927 0.300 1 738 72 72 TRP CH2 C 124.772 0.300 1 739 72 72 TRP CZ2 C 114.856 0.300 1 740 72 72 TRP CZ3 C 121.568 0.300 1 741 72 72 TRP N N 121.455 0.300 1 742 72 72 TRP NE1 N 130.803 0.300 1 743 73 73 LYS H H 8.241 0.030 1 744 73 73 LYS HA H 3.781 0.030 1 745 73 73 LYS HB2 H 1.736 0.030 1 746 73 73 LYS HB3 H 1.736 0.030 1 747 73 73 LYS HD2 H 1.476 0.030 1 748 73 73 LYS HD3 H 1.476 0.030 1 749 73 73 LYS HE2 H 2.779 0.030 2 750 73 73 LYS HE3 H 2.865 0.030 2 751 73 73 LYS HG2 H 1.224 0.030 2 752 73 73 LYS HG3 H 1.385 0.030 2 753 73 73 LYS C C 176.957 0.300 1 754 73 73 LYS CA C 57.074 0.300 1 755 73 73 LYS CB C 32.567 0.300 1 756 73 73 LYS CD C 28.903 0.300 1 757 73 73 LYS CE C 42.049 0.300 1 758 73 73 LYS CG C 24.918 0.300 1 759 73 73 LYS N N 120.065 0.300 1 760 74 74 LYS H H 7.705 0.030 1 761 74 74 LYS HA H 4.154 0.030 1 762 74 74 LYS HB2 H 1.845 0.030 1 763 74 74 LYS HB3 H 1.845 0.030 1 764 74 74 LYS HD2 H 1.650 0.030 2 765 74 74 LYS HE2 H 2.987 0.030 2 766 74 74 LYS HG2 H 1.381 0.030 2 767 74 74 LYS HG3 H 1.456 0.030 2 768 74 74 LYS C C 176.836 0.300 1 769 74 74 LYS CA C 57.028 0.300 1 770 74 74 LYS CB C 32.402 0.300 1 771 74 74 LYS CD C 29.231 0.300 1 772 74 74 LYS CE C 42.164 0.300 1 773 74 74 LYS CG C 24.892 0.300 1 774 74 74 LYS N N 120.036 0.300 1 775 75 75 SER H H 7.986 0.030 1 776 75 75 SER HA H 4.470 0.030 1 777 75 75 SER HB2 H 3.918 0.030 1 778 75 75 SER HB3 H 3.918 0.030 1 779 75 75 SER C C 174.530 0.300 1 780 75 75 SER CA C 58.786 0.300 1 781 75 75 SER CB C 63.975 0.300 1 782 75 75 SER N N 115.488 0.300 1 783 76 76 GLY H H 8.040 0.030 1 784 76 76 GLY HA2 H 4.076 0.030 2 785 76 76 GLY HA3 H 4.099 0.030 2 786 76 76 GLY C C 171.835 0.300 1 787 76 76 GLY CA C 44.789 0.300 1 788 76 76 GLY N N 110.454 0.300 1 789 77 77 PRO HA H 4.456 0.030 1 790 77 77 PRO HB2 H 1.973 0.030 2 791 77 77 PRO HB3 H 2.270 0.030 2 792 77 77 PRO HD2 H 3.602 0.030 2 793 77 77 PRO HG2 H 1.973 0.030 2 794 77 77 PRO CA C 63.323 0.300 1 795 77 77 PRO CB C 32.209 0.300 1 796 77 77 PRO CD C 49.850 0.300 1 797 77 77 PRO CG C 27.097 0.300 1 798 79 79 SER HA H 4.506 0.030 1 799 79 79 SER HB2 H 3.893 0.030 1 800 79 79 SER HB3 H 3.893 0.030 1 801 79 79 SER C C 173.947 0.300 1 802 79 79 SER CA C 58.433 0.300 1 803 79 79 SER CB C 63.960 0.300 1 804 80 80 GLY H H 8.039 0.030 1 805 80 80 GLY C C 179.045 0.300 1 806 80 80 GLY CA C 46.234 0.300 1 807 80 80 GLY N N 116.823 0.300 1 stop_ save_