data_6730 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments for Filamin a domain 17 ; _BMRB_accession_number 6730 _BMRB_flat_file_name bmr6730.str _Entry_type original _Submission_date 2005-07-14 _Accession_date 2005-07-14 _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 Heikkinen Outi K. . 2 Kilpelainen Ilkka A. . 3 Permi Perttu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 486 "13C chemical shifts" 371 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-05 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structure of the GPIb-filamin A complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16293600 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nakamura Fumihiko . . 2 Pudas Regina . . 3 Heikkinen Outi K. . 4 Permi Perttu . . 5 Kilpelainen Ilkka A. . 6 Munday Adam D. . 7 Hartwig John H. . 8 Stossel Thomas P. . 9 Ylanne Jari . . stop_ _Journal_abbreviation Blood _Journal_volume 107 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1925 _Page_last 1932 _Year 2006 _Details . loop_ _Keyword 'Structure of Filamin A domain 17' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Human Filamin A domain 17' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Filamin A domain 17' $Filamin_A_domain_17 stop_ _System_molecular_weight 10000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Filamin_A_domain_17 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Filamin A domain 17' _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Actin binding protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; GAMVVNCGHVTAYGPGLTHG VVNKPATFTVNTKDAGEGGL SLAIEGPSKAEISCTDNQDG TCSVSYLPVLPGDYSILVKY NEQHVPGSPFTARVTGDD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 VAL 5 VAL 6 ASN 7 CYS 8 GLY 9 HIS 10 VAL 11 THR 12 ALA 13 TYR 14 GLY 15 PRO 16 GLY 17 LEU 18 THR 19 HIS 20 GLY 21 VAL 22 VAL 23 ASN 24 LYS 25 PRO 26 ALA 27 THR 28 PHE 29 THR 30 VAL 31 ASN 32 THR 33 LYS 34 ASP 35 ALA 36 GLY 37 GLU 38 GLY 39 GLY 40 LEU 41 SER 42 LEU 43 ALA 44 ILE 45 GLU 46 GLY 47 PRO 48 SER 49 LYS 50 ALA 51 GLU 52 ILE 53 SER 54 CYS 55 THR 56 ASP 57 ASN 58 GLN 59 ASP 60 GLY 61 THR 62 CYS 63 SER 64 VAL 65 SER 66 TYR 67 LEU 68 PRO 69 VAL 70 LEU 71 PRO 72 GLY 73 ASP 74 TYR 75 SER 76 ILE 77 LEU 78 VAL 79 LYS 80 TYR 81 ASN 82 GLU 83 GLN 84 HIS 85 VAL 86 PRO 87 GLY 88 SER 89 PRO 90 PHE 91 THR 92 ALA 93 ARG 94 VAL 95 THR 96 GLY 97 ASP 98 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-08 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 2AAV "Solution Nmr Structure Of Filamin A Domain 17" 100.00 98 100.00 100.00 6.36e-64 PDB 2BP3 "Crystal Structure Of Filamin A Domain 17 And Gpib Alpha Cytoplasmic Domain Complex" 100.00 97 98.98 98.98 1.73e-61 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Filamin_A_domain_17 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_name $Filamin_A_domain_17 'recombinant technology' 'Escherichia coli' . . . . 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 $Filamin_A_domain_17 0.3 mM '[U-13C; U-15N]' 'Sodium phosphate' 50 mM . Dithiothreitol 10 mM . stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.70 0.05 pH temperature 293 2 K 'ionic strength' 50 5 mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio Water H 1 protons ppm 4.83 internal direct . . . 1.0 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Filamin A domain 17' _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 3 3 MET H H 8.604 0.000 . 2 3 3 MET HA H 4.174 0.000 . 3 3 3 MET HB2 H 2.185 0.000 . 4 3 3 MET HG2 H 2.635 0.000 . 5 3 3 MET HE H 2.172 0.000 . 6 3 3 MET CA C 54.748 0.000 . 7 3 3 MET CB C 32.856 0.000 . 8 3 3 MET CG C 30.428 0.000 . 9 3 3 MET CE C 16.073 0.000 . 10 3 3 MET N N 120.851 0.000 . 11 4 4 VAL H H 8.311 0.000 . 12 4 4 VAL HA H 3.823 0.000 . 13 4 4 VAL HB H 2.268 0.000 . 14 4 4 VAL HG1 H 1.074 0.000 . 15 4 4 VAL HG2 H 1.074 0.000 . 16 4 4 VAL CA C 60.998 0.000 . 17 4 4 VAL CB C 32.140 0.000 . 18 4 4 VAL CG1 C 18.948 0.000 . 19 4 4 VAL N N 122.133 0.000 . 20 5 5 VAL H H 8.311 0.001 . 21 5 5 VAL HA H 4.257 0.003 . 22 5 5 VAL HB H 2.134 0.004 . 23 5 5 VAL HG1 H 0.981 0.013 . 24 5 5 VAL HG2 H 0.981 0.013 . 25 5 5 VAL C C 131.870 0.000 . 26 5 5 VAL CA C 61.614 0.064 . 27 5 5 VAL CB C 32.284 0.101 . 28 5 5 VAL CG1 C 20.206 0.121 . 29 5 5 VAL N N 122.148 0.021 . 30 6 6 ASN H H 8.717 0.004 . 31 6 6 ASN HA H 4.274 0.002 . 32 6 6 ASN HB2 H 2.969 0.000 . 33 6 6 ASN C C 131.106 0.000 . 34 6 6 ASN CA C 52.681 0.072 . 35 6 6 ASN CB C 38.714 0.386 . 36 6 6 ASN N N 122.819 0.080 . 37 7 7 CYS H H 8.533 0.003 . 38 7 7 CYS HA H 4.613 0.000 . 39 7 7 CYS HB2 H 3.015 0.007 . 40 7 7 CYS C C 130.844 0.000 . 41 7 7 CYS CA C 57.956 0.039 . 42 7 7 CYS CB C 27.587 0.063 . 43 7 7 CYS N N 119.854 0.040 . 44 8 8 GLY H H 8.487 0.003 . 45 8 8 GLY HA2 H 3.970 0.011 . 46 8 8 GLY C C 129.430 0.000 . 47 8 8 GLY CA C 44.695 0.060 . 48 8 8 GLY N N 110.803 0.074 . 49 9 9 HIS H H 8.237 0.010 . 50 9 9 HIS HA H 4.842 0.012 . 51 9 9 HIS HB2 H 3.242 0.000 . 52 9 9 HIS HB3 H 3.081 0.000 . 53 9 9 HIS HD2 H 7.149 0.001 . 54 9 9 HIS HE1 H 8.209 0.005 . 55 9 9 HIS C C 130.178 0.000 . 56 9 9 HIS CA C 54.765 0.087 . 57 9 9 HIS CB C 30.042 0.062 . 58 9 9 HIS CD2 C 44.338 0.000 . 59 9 9 HIS CE1 C 61.475 0.000 . 60 9 9 HIS N N 117.830 0.124 . 61 10 10 VAL H H 8.176 0.006 . 62 10 10 VAL HA H 4.332 0.005 . 63 10 10 VAL HB H 1.801 0.011 . 64 10 10 VAL HG1 H 0.750 0.005 . 65 10 10 VAL HG2 H 0.358 0.011 . 66 10 10 VAL C C 131.529 0.000 . 67 10 10 VAL CA C 62.072 0.048 . 68 10 10 VAL CB C 32.121 0.034 . 69 10 10 VAL CG1 C 21.316 0.000 . 70 10 10 VAL CG2 C 21.884 0.000 . 71 10 10 VAL N N 123.897 0.039 . 72 11 11 THR H H 7.963 0.004 . 73 11 11 THR HA H 5.040 0.000 . 74 11 11 THR HB H 4.390 0.009 . 75 11 11 THR HG2 H 1.284 0.000 . 76 11 11 THR C C 128.373 0.000 . 77 11 11 THR CA C 58.858 0.020 . 78 11 11 THR CB C 72.158 0.061 . 79 11 11 THR CG2 C 21.881 0.000 . 80 11 11 THR N N 116.102 0.031 . 81 12 12 ALA H H 8.972 0.004 . 82 12 12 ALA HA H 5.659 0.004 . 83 12 12 ALA HB H 1.289 0.006 . 84 12 12 ALA C C 131.425 0.000 . 85 12 12 ALA CA C 49.690 0.048 . 86 12 12 ALA CB C 22.048 0.090 . 87 12 12 ALA N N 123.693 0.029 . 88 13 13 TYR H H 8.729 0.004 . 89 13 13 TYR HA H 4.828 0.000 . 90 13 13 TYR HB2 H 3.289 0.000 . 91 13 13 TYR HB3 H 2.995 0.004 . 92 13 13 TYR HD1 H 6.910 0.003 . 93 13 13 TYR HE1 H 6.820 0.002 . 94 13 13 TYR C C 129.677 0.000 . 95 13 13 TYR CA C 55.557 0.029 . 96 13 13 TYR CB C 38.324 0.037 . 97 13 13 TYR CD1 C 58.343 0.000 . 98 13 13 TYR CE1 C 41.427 0.000 . 99 13 13 TYR N N 117.825 0.028 . 100 14 14 GLY H H 8.838 0.004 . 101 14 14 GLY HA2 H 5.130 0.000 . 102 14 14 GLY HA3 H 4.220 0.000 . 103 14 14 GLY CA C 44.126 0.013 . 104 14 14 GLY N N 110.401 0.032 . 105 15 15 PRO HA H 4.486 0.006 . 106 15 15 PRO HB2 H 2.478 0.005 . 107 15 15 PRO HB3 H 2.251 0.002 . 108 15 15 PRO HG2 H 2.474 0.000 . 109 15 15 PRO HG3 H 2.211 0.004 . 110 15 15 PRO HD2 H 3.933 0.000 . 111 15 15 PRO HD3 H 3.709 0.000 . 112 15 15 PRO C C 134.629 0.000 . 113 15 15 PRO CA C 64.909 0.013 . 114 15 15 PRO CB C 30.973 0.056 . 115 15 15 PRO CG C 26.764 0.103 . 116 15 15 PRO CD C 49.440 0.019 . 117 16 16 GLY H H 9.116 0.004 . 118 16 16 GLY HA2 H 4.616 0.000 . 119 16 16 GLY HA3 H 3.436 0.000 . 120 16 16 GLY C C 128.969 0.000 . 121 16 16 GLY CA C 45.370 0.050 . 122 16 16 GLY N N 103.717 0.034 . 123 17 17 LEU H H 7.130 0.004 . 124 17 17 LEU HA H 3.856 0.005 . 125 17 17 LEU HB2 H 1.478 0.021 . 126 17 17 LEU HB3 H 0.991 0.008 . 127 17 17 LEU HG H 0.584 0.003 . 128 17 17 LEU HD1 H -0.097 0.005 . 129 17 17 LEU HD2 H -1.088 0.016 . 130 17 17 LEU C C 132.276 0.000 . 131 17 17 LEU CA C 55.032 0.046 . 132 17 17 LEU CB C 40.658 0.054 . 133 17 17 LEU CG C 25.372 0.000 . 134 17 17 LEU CD1 C 22.976 0.039 . 135 17 17 LEU CD2 C 18.469 0.039 . 136 17 17 LEU N N 116.196 0.030 . 137 18 18 THR H H 7.646 0.004 . 138 18 18 THR HA H 5.073 0.004 . 139 18 18 THR HB H 4.386 0.005 . 140 18 18 THR HG2 H 1.360 0.003 . 141 18 18 THR C C 132.591 0.000 . 142 18 18 THR CA C 61.362 0.058 . 143 18 18 THR CB C 71.230 0.055 . 144 18 18 THR CG2 C 21.596 0.067 . 145 18 18 THR N N 132.874 0.066 . 146 19 19 HIS H H 8.607 0.004 . 147 19 19 HIS HA H 5.691 0.008 . 148 19 19 HIS HB2 H 3.414 0.000 . 149 19 19 HIS HB3 H 3.299 0.000 . 150 19 19 HIS HD2 H 7.359 0.000 . 151 19 19 HIS HE1 H 8.385 0.005 . 152 19 19 HIS C C 128.457 0.000 . 153 19 19 HIS CA C 55.040 0.044 . 154 19 19 HIS CB C 31.814 0.086 . 155 19 19 HIS CD2 C 44.866 0.000 . 156 19 19 HIS CE1 C 61.167 0.000 . 157 19 19 HIS N N 122.208 0.046 . 158 20 20 GLY H H 7.888 0.005 . 159 20 20 GLY HA2 H 4.299 0.007 . 160 20 20 GLY HA3 H 3.696 0.001 . 161 20 20 GLY C C 126.478 0.000 . 162 20 20 GLY CA C 43.939 0.025 . 163 20 20 GLY N N 106.748 0.035 . 164 21 21 VAL H H 9.485 0.003 . 165 21 21 VAL HA H 4.848 0.000 . 166 21 21 VAL HB H 1.719 0.015 . 167 21 21 VAL HG1 H 0.952 0.000 . 168 21 21 VAL HG2 H 1.380 0.000 . 169 21 21 VAL C C 130.751 0.000 . 170 21 21 VAL CA C 60.004 0.046 . 171 21 21 VAL CB C 34.820 0.058 . 172 21 21 VAL CG1 C 20.475 0.000 . 173 21 21 VAL N N 122.561 0.047 . 174 22 22 VAL H H 7.909 0.003 . 175 22 22 VAL HA H 3.388 0.006 . 176 22 22 VAL HB H 1.842 0.004 . 177 22 22 VAL HG1 H 0.822 0.000 . 178 22 22 VAL HG2 H 0.910 0.000 . 179 22 22 VAL C C 131.077 0.000 . 180 22 22 VAL CA C 63.014 0.019 . 181 22 22 VAL CB C 31.500 0.053 . 182 22 22 VAL CG1 C 20.652 0.000 . 183 22 22 VAL CG2 C 21.420 0.000 . 184 22 22 VAL N N 121.658 0.037 . 185 23 23 ASN H H 8.950 0.003 . 186 23 23 ASN HA H 4.115 0.001 . 187 23 23 ASN HB2 H 3.097 0.000 . 188 23 23 ASN HB3 H 3.069 0.000 . 189 23 23 ASN HD21 H 7.705 0.000 . 190 23 23 ASN HD22 H 6.868 0.000 . 191 23 23 ASN C C 129.584 0.000 . 192 23 23 ASN CA C 54.629 0.052 . 193 23 23 ASN CB C 36.584 0.037 . 194 23 23 ASN N N 114.382 0.027 . 195 23 23 ASN ND2 N 113.558 0.005 . 196 24 24 LYS H H 8.159 0.004 . 197 24 24 LYS HA H 4.850 0.004 . 198 24 24 LYS HB2 H 1.716 0.004 . 199 24 24 LYS HB3 H 1.679 0.000 . 200 24 24 LYS HG2 H 1.407 0.002 . 201 24 24 LYS HG3 H 1.336 0.003 . 202 24 24 LYS HD2 H 1.698 0.000 . 203 24 24 LYS HD3 H 1.578 0.000 . 204 24 24 LYS HE2 H 3.014 0.000 . 205 24 24 LYS HE3 H 2.991 0.000 . 206 24 24 LYS CA C 52.430 0.109 . 207 24 24 LYS CB C 33.275 0.047 . 208 24 24 LYS CG C 24.280 0.017 . 209 24 24 LYS CD C 28.412 0.001 . 210 24 24 LYS CE C 41.754 0.000 . 211 24 24 LYS N N 120.427 0.046 . 212 25 25 PRO HA H 4.396 0.009 . 213 25 25 PRO HB2 H 2.037 0.003 . 214 25 25 PRO HB3 H 1.675 0.002 . 215 25 25 PRO HG2 H 2.076 0.000 . 216 25 25 PRO HG3 H 1.898 0.000 . 217 25 25 PRO HD2 H 3.701 0.000 . 218 25 25 PRO HD3 H 3.600 0.000 . 219 25 25 PRO C C 132.088 0.000 . 220 25 25 PRO CA C 62.382 0.039 . 221 25 25 PRO CB C 30.844 0.084 . 222 25 25 PRO CG C 27.063 0.034 . 223 25 25 PRO CD C 49.465 0.062 . 224 26 26 ALA H H 8.945 0.004 . 225 26 26 ALA HA H 4.780 0.006 . 226 26 26 ALA HB H 0.680 0.004 . 227 26 26 ALA C C 133.014 0.000 . 228 26 26 ALA CA C 49.919 0.043 . 229 26 26 ALA CB C 18.643 0.087 . 230 26 26 ALA N N 131.649 0.041 . 231 27 27 THR H H 8.338 0.004 . 232 27 27 THR HA H 5.683 0.010 . 233 27 27 THR HB H 4.199 0.009 . 234 27 27 THR HG2 H 1.077 0.000 . 235 27 27 THR C C 130.380 0.000 . 236 27 27 THR CA C 59.449 0.020 . 237 27 27 THR CB C 71.523 0.046 . 238 27 27 THR CG2 C 20.134 0.000 . 239 27 27 THR N N 111.390 0.031 . 240 28 28 PHE H H 8.946 0.004 . 241 28 28 PHE HA H 5.069 0.000 . 242 28 28 PHE HB2 H 2.893 0.000 . 243 28 28 PHE HD1 H 6.681 0.001 . 244 28 28 PHE HE1 H 6.776 0.001 . 245 28 28 PHE HZ H 6.849 0.005 . 246 28 28 PHE C C 127.647 0.000 . 247 28 28 PHE CA C 56.443 0.028 . 248 28 28 PHE CB C 39.007 0.021 . 249 28 28 PHE CD1 C 56.584 0.000 . 250 28 28 PHE CE1 C 53.572 0.000 . 251 28 28 PHE CZ C 54.136 0.000 . 252 28 28 PHE N N 116.740 0.030 . 253 29 29 THR H H 9.337 0.005 . 254 29 29 THR HA H 5.120 0.000 . 255 29 29 THR HB H 3.189 0.010 . 256 29 29 THR HG2 H 1.148 0.000 . 257 29 29 THR C C 128.938 0.000 . 258 29 29 THR CA C 61.169 0.028 . 259 29 29 THR CB C 70.778 0.051 . 260 29 29 THR CG2 C 21.268 0.000 . 261 29 29 THR N N 118.228 0.037 . 262 30 30 VAL H H 8.903 0.004 . 263 30 30 VAL HA H 4.860 0.000 . 264 30 30 VAL HB H 1.919 0.012 . 265 30 30 VAL HG1 H 1.037 0.000 . 266 30 30 VAL HG2 H 0.912 0.000 . 267 30 30 VAL C C 130.506 0.000 . 268 30 30 VAL CA C 60.273 0.032 . 269 30 30 VAL CB C 33.420 0.028 . 270 30 30 VAL CG1 C 21.281 0.000 . 271 30 30 VAL CG2 C 21.480 0.000 . 272 30 30 VAL N N 123.441 0.039 . 273 31 31 ASN H H 9.494 0.004 . 274 31 31 ASN HA H 5.232 0.005 . 275 31 31 ASN HB2 H 3.557 0.007 . 276 31 31 ASN HB3 H 2.833 0.001 . 277 31 31 ASN HD21 H 7.459 0.000 . 278 31 31 ASN HD22 H 6.870 0.000 . 279 31 31 ASN C C 131.295 0.000 . 280 31 31 ASN CA C 51.830 0.074 . 281 31 31 ASN CB C 39.031 0.047 . 282 31 31 ASN N N 127.472 0.054 . 283 31 31 ASN ND2 N 111.251 0.001 . 284 32 32 THR H H 8.764 0.010 . 285 32 32 THR HA H 4.330 0.000 . 286 32 32 THR HB H 4.415 0.030 . 287 32 32 THR HG2 H 1.049 0.000 . 288 32 32 THR C C 131.323 0.000 . 289 32 32 THR CA C 60.050 0.075 . 290 32 32 THR CB C 67.703 0.066 . 291 32 32 THR CG2 C 21.200 0.000 . 292 32 32 THR N N 115.586 0.044 . 293 33 33 LYS H H 8.232 0.004 . 294 33 33 LYS HA H 4.058 0.012 . 295 33 33 LYS HB2 H 1.962 0.000 . 296 33 33 LYS HB3 H 1.931 0.000 . 297 33 33 LYS HG2 H 1.557 0.009 . 298 33 33 LYS HD2 H 1.764 0.000 . 299 33 33 LYS HE2 H 3.089 0.000 . 300 33 33 LYS HE3 H 3.054 0.000 . 301 33 33 LYS C C 133.376 0.000 . 302 33 33 LYS CA C 58.720 0.058 . 303 33 33 LYS CB C 32.276 0.043 . 304 33 33 LYS CG C 24.231 0.043 . 305 33 33 LYS CD C 28.706 0.005 . 306 33 33 LYS CE C 41.567 0.013 . 307 33 33 LYS N N 125.103 0.034 . 308 34 34 ASP H H 8.882 0.009 . 309 34 34 ASP HA H 4.758 0.000 . 310 34 34 ASP HB2 H 2.903 0.008 . 311 34 34 ASP HB3 H 2.548 0.002 . 312 34 34 ASP C C 131.688 0.000 . 313 34 34 ASP CA C 53.929 0.056 . 314 34 34 ASP CB C 40.037 0.054 . 315 34 34 ASP N N 118.464 0.040 . 316 35 35 ALA H H 7.718 0.010 . 317 35 35 ALA HA H 4.109 0.008 . 318 35 35 ALA HB H 1.042 0.000 . 319 35 35 ALA C C 134.108 0.000 . 320 35 35 ALA CA C 52.098 0.035 . 321 35 35 ALA CB C 19.722 0.098 . 322 35 35 ALA N N 121.890 0.073 . 323 36 36 GLY H H 8.326 0.018 . 324 36 36 GLY HA2 H 4.164 0.000 . 325 36 36 GLY HA3 H 4.028 0.000 . 326 36 36 GLY C C 129.997 0.000 . 327 36 36 GLY CA C 43.913 0.029 . 328 36 36 GLY N N 107.540 0.028 . 329 37 37 GLU H H 8.712 0.009 . 330 37 37 GLU HA H 4.371 0.008 . 331 37 37 GLU HB2 H 2.087 0.000 . 332 37 37 GLU HB3 H 2.039 0.000 . 333 37 37 GLU HG2 H 2.340 0.003 . 334 37 37 GLU C C 132.590 0.000 . 335 37 37 GLU CA C 56.416 0.046 . 336 37 37 GLU CB C 29.737 0.049 . 337 37 37 GLU CG C 35.495 0.053 . 338 37 37 GLU N N 122.466 0.032 . 339 38 38 GLY H H 8.368 0.003 . 340 38 38 GLY HA2 H 3.977 0.000 . 341 38 38 GLY HA3 H 3.817 0.005 . 342 38 38 GLY C C 128.732 0.000 . 343 38 38 GLY CA C 44.756 0.023 . 344 38 38 GLY N N 110.574 0.043 . 345 39 39 GLY H H 7.627 0.004 . 346 39 39 GLY HA2 H 4.262 0.011 . 347 39 39 GLY HA3 H 3.534 0.003 . 348 39 39 GLY C C 128.889 0.000 . 349 39 39 GLY CA C 43.849 0.083 . 350 39 39 GLY N N 105.044 0.043 . 351 40 40 LEU H H 8.669 0.006 . 352 40 40 LEU HA H 5.161 0.000 . 353 40 40 LEU HB2 H 1.940 0.003 . 354 40 40 LEU HB3 H 1.557 0.012 . 355 40 40 LEU HG H 1.604 0.003 . 356 40 40 LEU HD1 H 0.958 0.006 . 357 40 40 LEU HD2 H 1.071 0.005 . 358 40 40 LEU C C 132.596 0.000 . 359 40 40 LEU CA C 53.718 0.050 . 360 40 40 LEU CB C 43.792 0.053 . 361 40 40 LEU CG C 26.936 0.000 . 362 40 40 LEU CD1 C 25.723 0.074 . 363 40 40 LEU CD2 C 23.985 0.044 . 364 40 40 LEU N N 126.133 0.069 . 365 41 41 SER H H 9.401 0.004 . 366 41 41 SER HA H 4.866 0.000 . 367 41 41 SER HB2 H 3.762 0.000 . 368 41 41 SER HB3 H 3.677 0.001 . 369 41 41 SER HG H 8.500 0.000 . 370 41 41 SER C C 128.341 0.000 . 371 41 41 SER CA C 56.442 0.040 . 372 41 41 SER CB C 64.768 0.060 . 373 41 41 SER N N 122.263 0.039 . 374 42 42 LEU H H 8.548 0.065 . 375 42 42 LEU HA H 5.469 0.007 . 376 42 42 LEU HB2 H 1.825 0.005 . 377 42 42 LEU HB3 H 1.313 0.003 . 378 42 42 LEU HG H 0.962 0.008 . 379 42 42 LEU HD1 H 1.678 0.000 . 380 42 42 LEU HD2 H 1.130 0.000 . 381 42 42 LEU CA C 52.338 0.064 . 382 42 42 LEU CB C 46.114 0.036 . 383 42 42 LEU CG C 26.448 0.013 . 384 42 42 LEU CD1 C 26.737 0.000 . 385 42 42 LEU CD2 C 25.442 0.017 . 386 42 42 LEU N N 124.995 0.352 . 387 43 43 ALA H H 8.729 0.005 . 388 43 43 ALA HA H 4.652 0.007 . 389 43 43 ALA HB H 1.493 0.005 . 390 43 43 ALA C C 130.414 0.000 . 391 43 43 ALA CA C 51.350 0.074 . 392 43 43 ALA CB C 22.042 0.100 . 393 43 43 ALA N N 124.040 0.051 . 394 44 44 ILE H H 8.756 0.003 . 395 44 44 ILE HA H 5.357 0.000 . 396 44 44 ILE HB H 1.637 0.004 . 397 44 44 ILE HG12 H 1.441 0.023 . 398 44 44 ILE HG13 H 1.041 0.012 . 399 44 44 ILE HG2 H 0.843 0.010 . 400 44 44 ILE HD1 H 0.163 0.012 . 401 44 44 ILE C C 131.236 0.000 . 402 44 44 ILE CA C 59.012 0.021 . 403 44 44 ILE CB C 40.526 0.039 . 404 44 44 ILE CG1 C 27.564 0.063 . 405 44 44 ILE CG2 C 16.682 0.083 . 406 44 44 ILE CD1 C 13.241 0.024 . 407 44 44 ILE N N 120.267 0.040 . 408 45 45 GLU H H 9.330 0.005 . 409 45 45 GLU HA H 4.947 0.000 . 410 45 45 GLU HB2 H 2.078 0.000 . 411 45 45 GLU HB3 H 1.888 0.003 . 412 45 45 GLU HG2 H 2.236 0.004 . 413 45 45 GLU C C 131.224 0.000 . 414 45 45 GLU CA C 53.489 0.040 . 415 45 45 GLU CB C 31.916 0.051 . 416 45 45 GLU CG C 35.048 0.092 . 417 45 45 GLU N N 128.562 0.038 . 418 46 46 GLY H H 8.506 0.003 . 419 46 46 GLY HA2 H 4.030 0.000 . 420 46 46 GLY HA3 H 3.698 0.000 . 421 46 46 GLY CA C 44.968 0.011 . 422 46 46 GLY N N 111.382 0.032 . 423 47 47 PRO HA H 4.306 0.003 . 424 47 47 PRO HB2 H 2.327 0.004 . 425 47 47 PRO HB3 H 1.853 0.000 . 426 47 47 PRO HG2 H 1.867 0.000 . 427 47 47 PRO HG3 H 1.699 0.001 . 428 47 47 PRO HD2 H 3.023 0.008 . 429 47 47 PRO HD3 H 1.868 0.005 . 430 47 47 PRO C C 132.244 0.000 . 431 47 47 PRO CA C 63.452 0.078 . 432 47 47 PRO CB C 31.641 0.087 . 433 47 47 PRO CG C 26.125 0.080 . 434 47 47 PRO CD C 48.290 0.059 . 435 48 48 SER H H 7.145 0.003 . 436 48 48 SER HA H 4.636 0.000 . 437 48 48 SER HB2 H 3.983 0.008 . 438 48 48 SER HB3 H 3.740 0.003 . 439 48 48 SER C C 129.197 0.000 . 440 48 48 SER CA C 55.816 0.094 . 441 48 48 SER CB C 65.831 0.048 . 442 48 48 SER N N 108.487 0.030 . 443 49 49 LYS H H 8.625 0.004 . 444 49 49 LYS HA H 4.435 0.006 . 445 49 49 LYS HB2 H 1.910 0.000 . 446 49 49 LYS HB3 H 1.865 0.000 . 447 49 49 LYS HG2 H 1.559 0.000 . 448 49 49 LYS HG3 H 1.430 0.000 . 449 49 49 LYS HD2 H 1.805 0.008 . 450 49 49 LYS HZ H 3.101 0.000 . 451 49 49 LYS C C 131.908 0.000 . 452 49 49 LYS CA C 55.960 0.022 . 453 49 49 LYS CB C 31.173 0.049 . 454 49 49 LYS CG C 24.175 0.030 . 455 49 49 LYS CD C 28.520 0.065 . 456 49 49 LYS CE C 41.609 0.000 . 457 49 49 LYS N N 123.649 0.035 . 458 50 50 ALA H H 8.514 0.003 . 459 50 50 ALA HA H 4.721 0.011 . 460 50 50 ALA HB H 1.251 0.005 . 461 50 50 ALA CA C 50.325 0.063 . 462 50 50 ALA CB C 19.746 0.060 . 463 50 50 ALA N N 130.624 0.039 . 464 51 51 GLU H H 8.730 0.002 . 465 51 51 GLU HA H 4.281 0.005 . 466 51 51 GLU HB2 H 2.039 0.000 . 467 51 51 GLU HB3 H 1.992 0.002 . 468 51 51 GLU HG2 H 2.412 0.000 . 469 51 51 GLU HG3 H 2.300 0.000 . 470 51 51 GLU C C 132.766 0.000 . 471 51 51 GLU CA C 56.319 0.037 . 472 51 51 GLU CB C 29.741 0.059 . 473 51 51 GLU CG C 35.473 0.068 . 474 51 51 GLU N N 123.921 0.027 . 475 52 52 ILE H H 8.749 0.003 . 476 52 52 ILE HA H 4.888 0.000 . 477 52 52 ILE HB H 1.673 0.001 . 478 52 52 ILE HG12 H 1.875 0.001 . 479 52 52 ILE HG13 H 0.815 0.000 . 480 52 52 ILE HG2 H 0.845 0.015 . 481 52 52 ILE HD1 H 0.841 0.012 . 482 52 52 ILE C C 131.518 0.000 . 483 52 52 ILE CA C 59.959 0.052 . 484 52 52 ILE CB C 40.734 0.051 . 485 52 52 ILE CG1 C 27.839 0.091 . 486 52 52 ILE CG2 C 16.703 0.047 . 487 52 52 ILE CD1 C 13.581 0.079 . 488 52 52 ILE N N 125.613 0.041 . 489 53 53 SER H H 9.357 0.003 . 490 53 53 SER HA H 4.823 0.000 . 491 53 53 SER HB2 H 3.780 0.000 . 492 53 53 SER HB3 H 3.742 0.000 . 493 53 53 SER C C 128.595 0.000 . 494 53 53 SER CA C 56.359 0.131 . 495 53 53 SER CB C 64.365 0.062 . 496 53 53 SER N N 123.418 0.039 . 497 54 54 CYS H H 8.890 0.004 . 498 54 54 CYS HA H 5.202 0.006 . 499 54 54 CYS HB2 H 2.834 0.005 . 500 54 54 CYS HB3 H 2.497 0.012 . 501 54 54 CYS C C 129.767 0.000 . 502 54 54 CYS CA C 56.565 0.041 . 503 54 54 CYS CB C 28.371 0.072 . 504 54 54 CYS N N 124.838 0.030 . 505 55 55 THR H H 9.011 0.006 . 506 55 55 THR HA H 4.529 0.004 . 507 55 55 THR HB H 3.996 0.006 . 508 55 55 THR HG2 H 1.173 0.002 . 509 55 55 THR C C 128.691 0.000 . 510 55 55 THR CA C 60.713 0.047 . 511 55 55 THR CB C 70.744 0.048 . 512 55 55 THR CG2 C 20.649 0.023 . 513 55 55 THR N N 124.071 0.037 . 514 56 56 ASP H H 8.987 0.004 . 515 56 56 ASP HA H 4.763 0.000 . 516 56 56 ASP HB2 H 2.923 0.007 . 517 56 56 ASP HB3 H 2.649 0.000 . 518 56 56 ASP CA C 53.624 0.008 . 519 56 56 ASP CB C 40.359 0.166 . 520 56 56 ASP N N 127.296 0.039 . 521 57 57 ASN H H 8.786 0.000 . 522 57 57 ASN HA H 4.525 0.000 . 523 57 57 ASN HB2 H 2.805 0.000 . 524 57 57 ASN HB3 H 3.071 0.000 . 525 57 57 ASN HD21 H 7.507 0.000 . 526 57 57 ASN HD22 H 7.313 0.000 . 527 57 57 ASN CA C 54.637 0.000 . 528 57 57 ASN CB C 38.300 0.000 . 529 57 57 ASN N N 125.035 0.000 . 530 57 57 ASN ND2 N 114.820 0.001 . 531 58 58 GLN H H 9.476 0.000 . 532 58 58 GLN HA H 4.076 0.009 . 533 58 58 GLN HB2 H 2.374 0.000 . 534 58 58 GLN HG2 H 2.330 0.000 . 535 58 58 GLN HG3 H 2.263 0.000 . 536 58 58 GLN HE21 H 7.576 0.000 . 537 58 58 GLN HE22 H 6.917 0.000 . 538 58 58 GLN CA C 57.082 0.032 . 539 58 58 GLN CB C 25.242 0.000 . 540 58 58 GLN CG C 33.495 0.001 . 541 58 58 GLN N N 115.000 0.000 . 542 58 58 GLN NE2 N 112.900 0.000 . 543 59 59 ASP H H 7.960 0.004 . 544 59 59 ASP HA H 4.781 0.008 . 545 59 59 ASP HB2 H 3.109 0.000 . 546 59 59 ASP HB3 H 2.494 0.000 . 547 59 59 ASP CA C 51.860 0.000 . 548 59 59 ASP CB C 40.422 0.002 . 549 59 59 ASP N N 117.854 0.016 . 550 60 60 GLY H H 8.770 0.000 . 551 60 60 GLY HA2 H 4.357 0.000 . 552 60 60 GLY HA3 H 3.713 0.007 . 553 60 60 GLY C C 129.177 0.000 . 554 60 60 GLY CA C 44.642 0.081 . 555 61 61 THR H H 8.155 0.004 . 556 61 61 THR HA H 5.600 0.000 . 557 61 61 THR HB H 4.117 0.001 . 558 61 61 THR HG2 H 1.185 0.000 . 559 61 61 THR C C 129.794 0.000 . 560 61 61 THR CA C 59.292 0.049 . 561 61 61 THR CB C 72.759 0.055 . 562 61 61 THR CG2 C 20.863 0.000 . 563 61 61 THR N N 109.872 0.039 . 564 62 62 CYS H H 9.138 0.004 . 565 62 62 CYS HA H 5.430 0.011 . 566 62 62 CYS HB2 H 2.764 0.000 . 567 62 62 CYS HB3 H 2.706 0.000 . 568 62 62 CYS C C 130.170 0.000 . 569 62 62 CYS CA C 56.126 0.066 . 570 62 62 CYS CB C 30.054 0.090 . 571 62 62 CYS N N 117.488 0.044 . 572 63 63 SER H H 9.191 0.004 . 573 63 63 SER HA H 4.855 0.000 . 574 63 63 SER HB2 H 3.992 0.000 . 575 63 63 SER HB3 H 3.772 0.015 . 576 63 63 SER C C 129.047 0.000 . 577 63 63 SER CA C 57.389 0.075 . 578 63 63 SER CB C 63.326 0.059 . 579 63 63 SER N N 121.350 0.034 . 580 64 64 VAL H H 9.050 0.003 . 581 64 64 VAL HA H 4.642 0.000 . 582 64 64 VAL HB H 0.106 0.005 . 583 64 64 VAL HG1 H 0.554 0.000 . 584 64 64 VAL HG2 H 0.530 0.000 . 585 64 64 VAL C C 130.584 0.000 . 586 64 64 VAL CA C 59.949 0.068 . 587 64 64 VAL CB C 31.987 0.073 . 588 64 64 VAL CG1 C 22.664 0.086 . 589 64 64 VAL CG2 C 21.307 0.055 . 590 64 64 VAL N N 129.261 0.036 . 591 65 65 SER H H 8.766 0.005 . 592 65 65 SER HA H 5.615 0.021 . 593 65 65 SER HB2 H 3.575 0.000 . 594 65 65 SER HB3 H 3.473 0.000 . 595 65 65 SER C C 128.776 0.000 . 596 65 65 SER CA C 55.350 0.029 . 597 65 65 SER CB C 65.375 0.054 . 598 65 65 SER N N 120.839 0.050 . 599 66 66 TYR H H 9.089 0.004 . 600 66 66 TYR HA H 5.799 0.010 . 601 66 66 TYR HB2 H 2.645 0.000 . 602 66 66 TYR HB3 H 2.575 0.000 . 603 66 66 TYR HD1 H 6.910 0.003 . 604 66 66 TYR HE1 H 6.636 0.002 . 605 66 66 TYR C C 128.994 0.000 . 606 66 66 TYR CA C 54.482 0.053 . 607 66 66 TYR CB C 41.566 0.056 . 608 66 66 TYR CD1 C 58.343 0.000 . 609 66 66 TYR CE1 C 42.303 0.000 . 610 66 66 TYR N N 121.051 0.037 . 611 67 67 LEU H H 7.581 0.004 . 612 67 67 LEU HA H 5.041 0.000 . 613 67 67 LEU HB2 H 1.966 0.009 . 614 67 67 LEU HB3 H 1.245 0.008 . 615 67 67 LEU HG H 1.310 0.000 . 616 67 67 LEU HD1 H 0.730 0.000 . 617 67 67 LEU HD2 H 0.554 0.000 . 618 67 67 LEU CA C 49.688 0.024 . 619 67 67 LEU CB C 42.534 0.098 . 620 67 67 LEU CG C 26.930 0.000 . 621 67 67 LEU CD1 C 24.183 0.000 . 622 67 67 LEU CD2 C 22.750 0.000 . 623 67 67 LEU N N 122.316 0.038 . 624 68 68 PRO HA H 4.704 0.000 . 625 68 68 PRO HB2 H 1.704 0.026 . 626 68 68 PRO HB3 H 1.286 0.004 . 627 68 68 PRO HG2 H 2.227 0.000 . 628 68 68 PRO HG3 H 1.579 0.000 . 629 68 68 PRO HD2 H 4.195 0.000 . 630 68 68 PRO HD3 H 3.527 0.000 . 631 68 68 PRO C C 133.427 0.000 . 632 68 68 PRO CA C 61.071 0.044 . 633 68 68 PRO CB C 31.826 0.048 . 634 68 68 PRO CG C 26.112 0.089 . 635 68 68 PRO CD C 49.484 0.003 . 636 69 69 VAL H H 8.509 0.004 . 637 69 69 VAL HA H 4.546 0.011 . 638 69 69 VAL HB H 2.472 0.006 . 639 69 69 VAL HG1 H 1.000 0.002 . 640 69 69 VAL HG2 H 0.998 0.000 . 641 69 69 VAL C C 131.215 0.000 . 642 69 69 VAL CA C 61.093 0.042 . 643 69 69 VAL CB C 31.736 0.070 . 644 69 69 VAL CG1 C 20.593 0.009 . 645 69 69 VAL CG2 C 18.546 0.100 . 646 69 69 VAL N N 115.010 0.033 . 647 70 70 LEU H H 7.014 0.004 . 648 70 70 LEU HA H 4.970 0.001 . 649 70 70 LEU HB2 H 1.658 0.000 . 650 70 70 LEU HB3 H 1.385 0.000 . 651 70 70 LEU HG H 1.709 0.000 . 652 70 70 LEU HD1 H 0.990 0.000 . 653 70 70 LEU HD2 H 1.106 0.000 . 654 70 70 LEU CA C 51.277 0.025 . 655 70 70 LEU CB C 45.179 0.003 . 656 70 70 LEU CG C 26.659 0.000 . 657 70 70 LEU CD1 C 24.858 0.000 . 658 70 70 LEU CD2 C 22.904 0.000 . 659 70 70 LEU N N 119.403 0.037 . 660 71 71 PRO HA H 4.365 0.000 . 661 71 71 PRO HB2 H 2.232 0.000 . 662 71 71 PRO HB3 H 2.163 0.000 . 663 71 71 PRO HG2 H 2.153 0.000 . 664 71 71 PRO HG3 H 2.004 0.000 . 665 71 71 PRO HD2 H 3.855 0.000 . 666 71 71 PRO HD3 H 3.749 0.000 . 667 71 71 PRO C C 130.307 0.000 . 668 71 71 PRO CA C 62.108 0.053 . 669 71 71 PRO CB C 31.855 0.020 . 670 71 71 PRO CG C 26.263 0.084 . 671 71 71 PRO CD C 50.142 0.053 . 672 72 72 GLY H H 8.880 0.003 . 673 72 72 GLY HA2 H 4.497 0.010 . 674 72 72 GLY HA3 H 3.870 0.013 . 675 72 72 GLY C C 127.649 0.000 . 676 72 72 GLY CA C 43.654 0.038 . 677 72 72 GLY N N 106.428 0.037 . 678 73 73 ASP H H 8.400 0.003 . 679 73 73 ASP HA H 5.659 0.000 . 680 73 73 ASP HB2 H 2.487 0.007 . 681 73 73 ASP HB3 H 2.348 0.023 . 682 73 73 ASP C C 131.836 0.000 . 683 73 73 ASP CA C 52.951 0.028 . 684 73 73 ASP CB C 40.498 0.157 . 685 73 73 ASP N N 120.992 0.030 . 686 74 74 TYR H H 9.672 0.003 . 687 74 74 TYR HA H 4.843 0.006 . 688 74 74 TYR HB2 H 2.870 0.000 . 689 74 74 TYR HB3 H 2.508 0.008 . 690 74 74 TYR HD1 H 7.161 0.001 . 691 74 74 TYR HE1 H 6.936 0.002 . 692 74 74 TYR HH H 10.150 0.000 . 693 74 74 TYR C C 130.599 0.000 . 694 74 74 TYR CA C 56.077 0.070 . 695 74 74 TYR CB C 39.419 0.066 . 696 74 74 TYR CD1 C 57.910 0.000 . 697 74 74 TYR CE1 C 40.435 0.000 . 698 74 74 TYR N N 124.339 0.035 . 699 75 75 SER H H 9.270 0.003 . 700 75 75 SER HA H 5.427 0.010 . 701 75 75 SER HB2 H 3.771 0.010 . 702 75 75 SER HG H 9.514 0.000 . 703 75 75 SER C C 129.645 0.000 . 704 75 75 SER CA C 56.057 0.038 . 705 75 75 SER CB C 63.718 0.050 . 706 75 75 SER N N 118.629 0.032 . 707 76 76 ILE H H 9.545 0.004 . 708 76 76 ILE HA H 4.556 0.003 . 709 76 76 ILE HB H 1.861 0.000 . 710 76 76 ILE HG12 H 1.301 0.000 . 711 76 76 ILE HG13 H 0.673 0.001 . 712 76 76 ILE HG2 H 0.577 0.001 . 713 76 76 ILE HD1 H 0.606 0.008 . 714 76 76 ILE C C 130.509 0.000 . 715 76 76 ILE CA C 60.311 0.024 . 716 76 76 ILE CB C 38.694 0.023 . 717 76 76 ILE CG1 C 26.994 0.059 . 718 76 76 ILE CG2 C 17.105 0.057 . 719 76 76 ILE CD1 C 14.569 0.003 . 720 76 76 ILE N N 127.696 0.035 . 721 77 77 LEU H H 9.428 0.005 . 722 77 77 LEU HA H 4.802 0.000 . 723 77 77 LEU HB2 H 1.906 0.015 . 724 77 77 LEU HB3 H 1.377 0.005 . 725 77 77 LEU HG H 1.682 0.001 . 726 77 77 LEU HD1 H 0.935 0.000 . 727 77 77 LEU HD2 H 0.892 0.006 . 728 77 77 LEU C C 131.717 0.000 . 729 77 77 LEU CA C 55.038 0.036 . 730 77 77 LEU CB C 41.775 0.046 . 731 77 77 LEU CG C 29.557 0.000 . 732 77 77 LEU CD1 C 26.331 0.000 . 733 77 77 LEU CD2 C 24.102 0.069 . 734 77 77 LEU N N 130.103 0.039 . 735 78 78 VAL H H 9.422 0.006 . 736 78 78 VAL HA H 4.699 0.012 . 737 78 78 VAL HB H 2.326 0.005 . 738 78 78 VAL HG1 H 0.966 0.001 . 739 78 78 VAL HG2 H 0.960 0.001 . 740 78 78 VAL CA C 60.718 0.061 . 741 78 78 VAL CB C 32.714 0.056 . 742 78 78 VAL CG1 C 21.188 0.048 . 743 78 78 VAL CG2 C 20.100 0.000 . 744 78 78 VAL N N 126.548 0.037 . 745 79 79 LYS H H 8.733 0.005 . 746 79 79 LYS HA H 5.173 0.000 . 747 79 79 LYS HB2 H 1.590 0.000 . 748 79 79 LYS HB3 H 1.015 0.000 . 749 79 79 LYS HG2 H 0.916 0.000 . 750 79 79 LYS HG3 H 0.274 0.005 . 751 79 79 LYS HD2 H 1.153 0.005 . 752 79 79 LYS HD3 H 0.970 0.002 . 753 79 79 LYS HE2 H 2.184 0.004 . 754 79 79 LYS HE3 H 2.026 0.005 . 755 79 79 LYS C C 130.559 0.000 . 756 79 79 LYS CA C 53.247 0.030 . 757 79 79 LYS CB C 36.305 0.018 . 758 79 79 LYS CG C 23.761 0.052 . 759 79 79 LYS CD C 29.016 0.051 . 760 79 79 LYS CE C 40.665 0.001 . 761 79 79 LYS N N 123.939 0.022 . 762 80 80 TYR H H 8.971 0.008 . 763 80 80 TYR HA H 5.201 0.006 . 764 80 80 TYR HB2 H 3.097 0.000 . 765 80 80 TYR HB3 H 2.448 0.000 . 766 80 80 TYR HD1 H 6.868 0.001 . 767 80 80 TYR HE1 H 6.636 0.002 . 768 80 80 TYR HH H 8.255 0.000 . 769 80 80 TYR C C 133.098 0.000 . 770 80 80 TYR CA C 56.234 0.081 . 771 80 80 TYR CB C 41.646 0.056 . 772 80 80 TYR CD1 C 56.544 0.000 . 773 80 80 TYR CE1 C 42.303 0.000 . 774 80 80 TYR N N 121.389 0.061 . 775 81 81 ASN H H 8.929 0.004 . 776 81 81 ASN HA H 4.490 0.012 . 777 81 81 ASN HB2 H 3.210 0.007 . 778 81 81 ASN HB3 H 2.740 0.009 . 779 81 81 ASN HD21 H 7.601 0.000 . 780 81 81 ASN HD22 H 6.916 0.000 . 781 81 81 ASN C C 130.865 0.000 . 782 81 81 ASN CA C 53.828 0.021 . 783 81 81 ASN CB C 36.405 0.013 . 784 81 81 ASN N N 128.952 0.032 . 785 81 81 ASN ND2 N 111.774 0.001 . 786 82 82 GLU H H 8.939 0.006 . 787 82 82 GLU HA H 3.543 0.013 . 788 82 82 GLU HB2 H 2.258 0.010 . 789 82 82 GLU HG2 H 2.071 0.003 . 790 82 82 GLU C C 130.807 0.000 . 791 82 82 GLU CA C 57.127 0.056 . 792 82 82 GLU CB C 26.357 0.051 . 793 82 82 GLU CG C 35.452 0.069 . 794 82 82 GLU N N 106.873 0.040 . 795 83 83 GLN H H 7.629 0.004 . 796 83 83 GLN HA H 4.797 0.000 . 797 83 83 GLN HB2 H 2.259 0.000 . 798 83 83 GLN HB3 H 2.097 0.000 . 799 83 83 GLN HG2 H 2.517 0.005 . 800 83 83 GLN HG3 H 2.490 0.023 . 801 83 83 GLN C C 132.272 0.000 . 802 83 83 GLN CA C 53.014 0.039 . 803 83 83 GLN CB C 30.339 0.053 . 804 83 83 GLN CG C 32.579 0.067 . 805 83 83 GLN N N 118.987 0.057 . 806 84 84 HIS H H 8.966 0.006 . 807 84 84 HIS HA H 4.565 0.007 . 808 84 84 HIS HB2 H 3.229 0.000 . 809 84 84 HIS HB3 H 2.931 0.004 . 810 84 84 HIS HD2 H 7.234 0.002 . 811 84 84 HIS HE1 H 7.343 0.001 . 812 84 84 HIS C C 133.598 0.000 . 813 84 84 HIS CA C 58.267 0.042 . 814 84 84 HIS CB C 31.398 0.050 . 815 84 84 HIS CD2 C 42.448 0.000 . 816 84 84 HIS CE1 C 60.424 0.000 . 817 84 84 HIS N N 125.074 0.024 . 818 85 85 VAL H H 8.621 0.008 . 819 85 85 VAL HA H 4.740 0.000 . 820 85 85 VAL HB H 2.700 0.008 . 821 85 85 VAL HG1 H 1.105 0.002 . 822 85 85 VAL HG2 H 1.022 0.002 . 823 85 85 VAL CA C 59.348 0.016 . 824 85 85 VAL CB C 28.506 0.024 . 825 85 85 VAL CG1 C 18.029 0.000 . 826 85 85 VAL CG2 C 20.915 0.000 . 827 85 85 VAL N N 120.613 0.041 . 828 86 86 PRO HA H 4.313 0.000 . 829 86 86 PRO HB2 H 2.373 0.014 . 830 86 86 PRO HB3 H 2.075 0.009 . 831 86 86 PRO HG2 H 2.149 0.000 . 832 86 86 PRO HG3 H 2.049 0.000 . 833 86 86 PRO HD2 H 4.070 0.000 . 834 86 86 PRO HD3 H 3.966 0.000 . 835 86 86 PRO C C 133.279 0.000 . 836 86 86 PRO CA C 64.676 0.069 . 837 86 86 PRO CB C 30.498 0.089 . 838 86 86 PRO CG C 27.628 0.021 . 839 86 86 PRO CD C 49.866 0.047 . 840 87 87 GLY H H 8.388 0.005 . 841 87 87 GLY HA2 H 4.230 0.003 . 842 87 87 GLY HA3 H 3.214 0.004 . 843 87 87 GLY C C 128.098 0.000 . 844 87 87 GLY CA C 44.120 0.058 . 845 87 87 GLY N N 115.035 0.040 . 846 88 88 SER H H 7.802 0.003 . 847 88 88 SER HA H 4.134 0.001 . 848 88 88 SER HB2 H 4.507 0.000 . 849 88 88 SER HB3 H 3.803 0.000 . 850 88 88 SER CA C 54.164 0.014 . 851 88 88 SER CB C 61.790 0.039 . 852 88 88 SER N N 113.476 0.039 . 853 89 89 PRO HA H 5.394 0.006 . 854 89 89 PRO HB2 H 2.002 0.000 . 855 89 89 PRO HB3 H 1.959 0.000 . 856 89 89 PRO HG2 H 1.935 0.007 . 857 89 89 PRO HG3 H 1.727 0.000 . 858 89 89 PRO HD2 H 3.272 0.004 . 859 89 89 PRO HD3 H 2.473 0.006 . 860 89 89 PRO C C 132.448 0.000 . 861 89 89 PRO CA C 61.619 0.046 . 862 89 89 PRO CB C 33.214 0.059 . 863 89 89 PRO CG C 24.360 0.085 . 864 89 89 PRO CD C 49.377 0.002 . 865 90 90 PHE H H 9.470 0.003 . 866 90 90 PHE HA H 4.614 0.010 . 867 90 90 PHE HB2 H 3.478 0.009 . 868 90 90 PHE HB3 H 2.854 0.000 . 869 90 90 PHE HD1 H 7.292 0.002 . 870 90 90 PHE HE1 H 7.123 0.000 . 871 90 90 PHE HZ H 7.337 0.007 . 872 90 90 PHE C C 132.243 0.000 . 873 90 90 PHE CA C 56.855 0.017 . 874 90 90 PHE CB C 40.024 0.059 . 875 90 90 PHE CD1 C 57.054 0.000 . 876 90 90 PHE CE1 C 54.316 0.000 . 877 90 90 PHE CZ C 54.131 0.000 . 878 90 90 PHE N N 126.666 0.056 . 879 91 91 THR H H 8.813 0.014 . 880 91 91 THR HA H 5.184 0.016 . 881 91 91 THR HB H 4.071 0.014 . 882 91 91 THR HG2 H 1.085 0.000 . 883 91 91 THR C C 128.488 0.000 . 884 91 91 THR CA C 61.529 0.043 . 885 91 91 THR CB C 69.447 0.060 . 886 91 91 THR CG2 C 20.134 0.000 . 887 91 91 THR N N 118.455 0.032 . 888 92 92 ALA H H 9.376 0.004 . 889 92 92 ALA HA H 4.492 0.007 . 890 92 92 ALA HB H 1.079 0.001 . 891 92 92 ALA C C 131.972 0.000 . 892 92 92 ALA CA C 49.310 0.050 . 893 92 92 ALA CB C 20.721 0.044 . 894 92 92 ALA N N 131.164 0.036 . 895 93 93 ARG H H 7.711 0.003 . 896 93 93 ARG HA H 5.057 0.006 . 897 93 93 ARG HB2 H 2.036 0.000 . 898 93 93 ARG HB3 H 1.937 0.003 . 899 93 93 ARG HG2 H 1.710 0.002 . 900 93 93 ARG HG3 H 1.619 0.003 . 901 93 93 ARG HD2 H 3.285 0.008 . 902 93 93 ARG HE H 8.095 0.002 . 903 93 93 ARG C C 131.681 0.000 . 904 93 93 ARG CA C 54.776 0.046 . 905 93 93 ARG CB C 29.799 0.056 . 906 93 93 ARG CG C 26.468 0.057 . 907 93 93 ARG CD C 42.367 0.041 . 908 93 93 ARG CZ C 128.854 0.000 . 909 93 93 ARG N N 123.181 0.036 . 910 93 93 ARG NE N 116.675 0.039 . 911 94 94 VAL H H 9.577 0.004 . 912 94 94 VAL HA H 4.792 0.000 . 913 94 94 VAL HB H 2.513 0.010 . 914 94 94 VAL HG1 H 0.717 0.000 . 915 94 94 VAL HG2 H 0.668 0.000 . 916 94 94 VAL C C 133.296 0.000 . 917 94 94 VAL CA C 60.286 0.051 . 918 94 94 VAL CB C 31.343 0.094 . 919 94 94 VAL CG1 C 20.919 0.032 . 920 94 94 VAL CG2 C 21.260 0.000 . 921 94 94 VAL N N 130.643 0.034 . 922 95 95 THR H H 8.723 0.004 . 923 95 95 THR HA H 4.833 0.000 . 924 95 95 THR HB H 4.663 0.001 . 925 95 95 THR HG2 H 1.415 0.010 . 926 95 95 THR C C 130.167 0.000 . 927 95 95 THR CA C 59.762 0.049 . 928 95 95 THR CB C 70.275 0.030 . 929 95 95 THR CG2 C 20.956 0.096 . 930 95 95 THR N N 121.293 0.042 . 931 96 96 GLY H H 8.784 0.003 . 932 96 96 GLY HA2 H 4.338 0.010 . 933 96 96 GLY HA3 H 3.929 0.006 . 934 96 96 GLY C C 129.366 0.000 . 935 96 96 GLY CA C 44.525 0.047 . 936 96 96 GLY N N 107.428 0.036 . 937 97 97 ASP H H 8.413 0.003 . 938 97 97 ASP HA H 4.764 0.000 . 939 97 97 ASP HB2 H 2.770 0.000 . 940 97 97 ASP HB3 H 2.611 0.000 . 941 97 97 ASP C C 130.921 0.000 . 942 97 97 ASP CA C 53.149 0.041 . 943 97 97 ASP CB C 40.968 0.036 . 944 97 97 ASP N N 120.681 0.048 . 945 98 98 ASP H H 8.119 0.003 . 946 98 98 ASP HA H 4.407 0.000 . 947 98 98 ASP HB2 H 2.685 0.000 . 948 98 98 ASP HB3 H 2.602 0.000 . 949 98 98 ASP CA C 55.286 0.007 . 950 98 98 ASP CB C 41.719 0.000 . 951 98 98 ASP N N 125.950 0.039 . stop_ save_