data_6957 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SCAN homodimer from MZF-1/ZNF42 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volkman B. F. . 2 Peterson F. C. . 3 Sander T. L. . 4 Waltner J. K. . stop_ _BMRB_accession_number 6957 _BMRB_flat_file_name bmr6957.str _Entry_type new _Submission_date 2006-01-27 _Accession_date 2006-01-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 559 '13C chemical shifts' 398 '15N chemical shifts' 93 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution structure of the SCAN homodimer from MZF-1/ZNF42 ; _Citation_status submitted _Citation_type journal _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peterson F. C. . 2 Hayes P. L. . 3 Waltner J. K. . 4 Heisner A. K. . 5 Jensen D. R. . 6 Sander T. L. . 7 Volkman B. F. . stop_ _Journal_abbreviation ? _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? loop_ _Keyword "SCAN domain" "Znf-42" "MZF-1" "homodimer" "transcription factor" "Structural Genomics" "PSI" "Protein Structure Initiative" "Center for Eukaryotic Structural Genomics" "CESG" stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name SCAN _Abbreviation_common SCAN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "SCAN subunit 1" $entity "SCAN subunit 2" $entity stop_ _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state "all free" loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 2FI2 ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SCAN _Name_variant . _Abbreviation_common SCAN _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; GSDPGPEAARLRFRCFHYEE ATGPQEALAQLRELCRQWLR PEVRSKEQMLELLVLEQFLG ALPPEIQARVQGQRPGSPEE AAALVDGLRREPGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 35 GLY 2 36 SER 3 37 ASP 4 38 PRO 5 39 GLY 6 40 PRO 7 41 GLU 8 42 ALA 9 43 ALA 10 44 ARG 11 45 LEU 12 46 ARG 13 47 PHE 14 48 ARG 15 49 CYS 16 50 PHE 17 51 HIS 18 52 TYR 19 53 GLU 20 54 GLU 21 55 ALA 22 56 THR 23 57 GLY 24 58 PRO 25 59 GLN 26 60 GLU 27 61 ALA 28 62 LEU 29 63 ALA 30 64 GLN 31 65 LEU 32 66 ARG 33 67 GLU 34 68 LEU 35 69 CYS 36 70 ARG 37 71 GLN 38 72 TRP 39 73 LEU 40 74 ARG 41 75 PRO 42 76 GLU 43 77 VAL 44 78 ARG 45 79 SER 46 80 LYS 47 81 GLU 48 82 GLN 49 83 MET 50 84 LEU 51 85 GLU 52 86 LEU 53 87 LEU 54 88 VAL 55 89 LEU 56 90 GLU 57 91 GLN 58 92 PHE 59 93 LEU 60 94 GLY 61 95 ALA 62 96 LEU 63 97 PRO 64 98 PRO 65 99 GLU 66 100 ILE 67 101 GLN 68 102 ALA 69 103 ARG 70 104 VAL 71 105 GLN 72 106 GLY 73 107 GLN 74 108 ARG 75 109 PRO 76 110 GLY 77 111 SER 78 112 PRO 79 113 GLU 80 114 GLU 81 115 ALA 82 116 ALA 83 117 ALA 84 118 LEU 85 119 VAL 86 120 ASP 87 121 GLY 88 122 LEU 89 123 ARG 90 124 ARG 91 125 GLU 92 126 PRO 93 127 GLY 94 128 GLY stop_ _Sequence_homology_query_date 2006-04-19 _Sequence_homology_query_revised_last_date 2006-04-06 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 2FI2 "A Chain A, Solution Structure Of The ScanHomodimer From Mzf-1ZNF42" 100.00 94 100 100 1e-48 DBJ BAD92718.1 "zinc finger protein 42 isoform 2variant [Homo sapiens]" 39.50 238 99 99 2e-46 GenBank AAH53316.1 "ZNF42 protein [Homo sapiens]" 32.41 290 100 100 2e-47 GenBank AAD55809.1 "zinc finger protein 42 [Homo sapiens]" 12.81 734 100 100 2e-47 GenBank AAD55810.1 "zinc finger protein 42 [Homo sapiens]" 12.81 734 100 100 2e-47 GenBank AAF80465.1 "myeloid zinc finger protein 1 splicevariant [Homo sapiens]" 12.81 734 100 100 2e-47 GenBank AAH07777.1 "Zinc finger protein 42, isoform 1 [Homosapiens]" 12.81 734 99 99 2e-46 REF XP_512957.1 "PREDICTED: zinc finger protein 42 [Pantroglodytes]" 14.03 670 99 99 2e-46 REF NP_003413.2 "zinc finger protein 42 isoform 1 [Homosapiens]" 12.81 734 99 99 2e-46 REF NP_932172.1 "zinc finger protein 42 isoform 2 [Homosapiens]" 12.81 734 99 99 2e-46 SWISS-PROT P28698 "ZNF42_HUMAN Zinc finger protein 42 (Myeloidzinc finger 1) (MZF-1) (Zinc finger and SCANdomain-containing protein 6)" 12.81 734 100 100 2e-47 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 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 $entity "recombinant technology" . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 2 mM "[U-15N; U-13C]" "sodium phosphate" 20 mM . NaCl 50 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.7 mM "[U-15N; U-13C]" "sodium phosphate" 20 mM . NaCl 50 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Saveframe_category software _Name XPLOR-NIH _Version 2.9.3. loop_ _Task refinement stop_ _Details ; SCHWIETERS, C.D., KUSZEWSKI, J.J., TJANDRA, N., CLORE, G.M. ; save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2004 save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version 1.1.0 save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 3D 15N-separated NOESY 3D 13C-separated NOESY 3D 13C-separated NOESY (AROMATIC) 3D 13C-F1-filtered-13C-F3-separated NOESY ; save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH temperature 298 . K 'ionic strength' 99 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference 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 . direct external . . . 1.000000000 DSS C 13 'methyl protons' ppm . indirect external . . . 0.251449530 DSS N 15 'methyl protons' ppm . indirect external . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "SCAN subunit 1" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 ASP HA H 4.934 0.02 1 2 3 ASP HB2 H 2.792 0.02 2 3 3 ASP HB3 H 2.639 0.02 2 4 3 ASP CA C 52.545 0.1 1 5 3 ASP CB C 41.868 0.1 1 6 4 PRO HA H 4.521 0.02 1 7 4 PRO HB2 H 2.079 0.02 2 8 4 PRO HB3 H 2.267 0.02 2 9 4 PRO HG2 H 2.045 0.02 1 10 4 PRO HG3 H 2.045 0.02 1 11 4 PRO HD2 H 3.927 0.02 1 12 4 PRO HD3 H 3.927 0.02 1 13 4 PRO C C 177.746 0.1 1 14 4 PRO CA C 63.848 0.1 1 15 4 PRO CB C 32.808 0.1 1 16 4 PRO CG C 26.984 0.1 1 17 4 PRO CD C 51.251 0.1 1 18 5 GLY H H 8.578 0.02 1 19 5 GLY HA2 H 4.062 0.02 2 20 5 GLY HA3 H 4.211 0.02 2 21 5 GLY C C 173.964 0.1 1 22 5 GLY CA C 46.721 0.1 1 23 5 GLY N N 109.528 0.1 1 24 6 PRO HA H 4.693 0.02 1 25 6 PRO HB2 H 2.744 0.02 2 26 6 PRO HB3 H 2.289 0.02 2 27 6 PRO HG2 H 2.267 0.02 2 28 6 PRO HG3 H 2.110 0.02 2 29 6 PRO HD2 H 3.845 0.02 2 30 6 PRO HD3 H 3.697 0.02 2 31 6 PRO C C 178.112 0.1 1 32 6 PRO CA C 65.935 0.1 1 33 6 PRO CB C 32.290 0.1 1 34 6 PRO CG C 27.954 0.1 1 35 6 PRO CD C 50.927 0.1 1 36 7 GLU H H 7.963 0.02 1 37 7 GLU HA H 4.466 0.02 1 38 7 GLU HB2 H 1.796 0.02 2 39 7 GLU HB3 H 2.051 0.02 2 40 7 GLU HG2 H 2.316 0.02 2 41 7 GLU HG3 H 2.194 0.02 2 42 7 GLU C C 178.065 0.1 1 43 7 GLU CA C 58.238 0.1 1 44 7 GLU CB C 29.388 0.1 1 45 7 GLU CG C 35.073 0.1 1 46 7 GLU N N 118.078 0.1 1 47 8 ALA H H 7.875 0.02 1 48 8 ALA HA H 4.059 0.02 1 49 8 ALA HB H 1.443 0.02 1 50 8 ALA C C 181.008 0.1 1 51 8 ALA CA C 55.205 0.1 1 52 8 ALA CB C 18.362 0.1 1 53 8 ALA N N 121.025 0.1 1 54 9 ALA H H 7.858 0.02 1 55 9 ALA HA H 4.047 0.02 1 56 9 ALA HB H 1.609 0.02 1 57 9 ALA C C 180.354 0.011 1 58 9 ALA CA C 55.199 0.1 1 59 9 ALA CB C 18.284 0.1 1 60 9 ALA N N 120.300 0.1 1 61 10 ARG H H 8.426 0.02 1 62 10 ARG HA H 2.733 0.02 1 63 10 ARG HB2 H 0.295 0.02 2 64 10 ARG HB3 H 1.502 0.02 2 65 10 ARG HG2 H 0.604 0.02 2 66 10 ARG HG3 H -0.750 0.02 2 67 10 ARG HD2 H 3.183 0.02 2 68 10 ARG HD3 H 2.608 0.02 2 69 10 ARG HE H 8.632 0.002 1 70 10 ARG C C 178.673 0.1 1 71 10 ARG CA C 60.633 0.1 1 72 10 ARG CB C 29.572 0.1 1 73 10 ARG CG C 26.013 0.1 1 74 10 ARG CD C 42.838 0.1 1 75 10 ARG N N 123.793 0.1 1 76 10 ARG NE N 113.446 0.1 1 77 11 LEU H H 8.111 0.02 1 78 11 LEU HA H 3.763 0.02 1 79 11 LEU HB2 H 1.756 0.02 2 80 11 LEU HB3 H 1.390 0.02 2 81 11 LEU HG H 1.615 0.02 1 82 11 LEU HD1 H 0.818 0.02 2 83 11 LEU HD2 H 0.728 0.02 2 84 11 LEU C C 179.584 0.1 1 85 11 LEU CA C 58.369 0.1 1 86 11 LEU CB C 42.191 0.1 1 87 11 LEU CG C 27.300 0.1 1 88 11 LEU CD1 C 25.730 0.1 1 89 11 LEU CD2 C 23.400 0.1 1 90 11 LEU N N 117.622 0.1 1 91 12 ARG H H 7.543 0.02 1 92 12 ARG HA H 3.980 0.02 1 93 12 ARG HB2 H 1.924 0.02 1 94 12 ARG HB3 H 1.924 0.02 1 95 12 ARG HG2 H 1.647 0.02 1 96 12 ARG HG3 H 1.647 0.02 1 97 12 ARG HD2 H 3.254 0.02 1 98 12 ARG HD3 H 3.254 0.02 1 99 12 ARG C C 178.350 0.1 1 100 12 ARG CA C 59.999 0.1 1 101 12 ARG CB C 30.918 0.1 1 102 12 ARG CG C 28.602 0.1 1 103 12 ARG CD C 43.809 0.1 1 104 12 ARG N N 118.017 0.1 1 105 13 PHE H H 7.650 0.02 1 106 13 PHE HA H 4.429 0.02 1 107 13 PHE HB2 H 3.035 0.02 2 108 13 PHE HB3 H 3.273 0.02 2 109 13 PHE HD1 H 7.244 0.02 1 110 13 PHE HD2 H 7.244 0.02 1 111 13 PHE HE1 H 7.368 0.02 1 112 13 PHE HE2 H 7.368 0.02 1 113 13 PHE HZ H 7.180 0.02 1 114 13 PHE C C 175.331 0.1 1 115 13 PHE CA C 60.215 0.1 1 116 13 PHE CB C 39.676 0.1 1 117 13 PHE CD1 C 132.047 0.1 1 118 13 PHE CE1 C 131.271 0.1 1 119 13 PHE CZ C 129.200 0.1 1 120 13 PHE N N 118.259 0.1 1 121 14 ARG H H 8.370 0.02 1 122 14 ARG HA H 3.834 0.02 1 123 14 ARG HB2 H 1.783 0.02 1 124 14 ARG HB3 H 1.783 0.02 1 125 14 ARG HG2 H 1.618 0.02 1 126 14 ARG HG3 H 1.618 0.02 1 127 14 ARG HD2 H 2.841 0.02 1 128 14 ARG HD3 H 2.841 0.02 1 129 14 ARG HE H 9.927 0.02 1 130 14 ARG C C 179.166 0.1 1 131 14 ARG CA C 55.781 0.1 1 132 14 ARG CB C 29.896 0.1 1 133 14 ARG CG C 26.013 0.1 1 134 14 ARG CD C 42.838 0.1 1 135 14 ARG N N 112.278 0.1 1 136 14 ARG NE N 118.117 0.1 1 137 15 CYS H H 8.028 0.02 1 138 15 CYS HA H 4.529 0.02 1 139 15 CYS HB2 H 2.883 0.02 2 140 15 CYS HB3 H 3.081 0.02 2 141 15 CYS C C 173.642 0.1 1 142 15 CYS CA C 58.868 0.1 1 143 15 CYS CB C 27.436 0.1 1 144 15 CYS N N 115.233 0.1 1 145 16 PHE H H 6.894 0.02 1 146 16 PHE HA H 4.141 0.02 1 147 16 PHE HB2 H 2.614 0.02 2 148 16 PHE HB3 H 3.259 0.02 2 149 16 PHE HD1 H 7.023 0.02 1 150 16 PHE HD2 H 7.023 0.02 1 151 16 PHE HE1 H 7.291 0.02 1 152 16 PHE HE2 H 7.291 0.02 1 153 16 PHE C C 174.230 0.1 1 154 16 PHE CA C 60.101 0.1 1 155 16 PHE CB C 40.837 0.1 1 156 16 PHE CD1 C 132.306 0.1 1 157 16 PHE CE1 C 130.750 0.1 1 158 16 PHE N N 122.729 0.1 1 159 17 HIS H H 7.725 0.02 1 160 17 HIS HA H 4.724 0.02 1 161 17 HIS HB2 H 2.961 0.02 2 162 17 HIS HB3 H 2.874 0.02 2 163 17 HIS HD2 H 7.036 0.02 1 164 17 HIS HE1 H 8.158 0.02 1 165 17 HIS C C 172.750 0.001 1 166 17 HIS CA C 54.216 0.1 1 167 17 HIS CB C 31.288 0.1 1 168 17 HIS CD2 C 120.658 0.1 1 169 17 HIS CE1 C 137.224 0.1 1 170 17 HIS N N 126.921 0.1 1 171 18 TYR H H 8.296 0.02 1 172 18 TYR HA H 4.101 0.02 1 173 18 TYR HB2 H 2.784 0.02 1 174 18 TYR HB3 H 2.784 0.02 1 175 18 TYR HD1 H 6.816 0.02 1 176 18 TYR HD2 H 6.816 0.02 1 177 18 TYR HE1 H 6.541 0.02 1 178 18 TYR HE2 H 6.541 0.02 1 179 18 TYR C C 174.479 0.002 1 180 18 TYR CA C 59.077 0.1 1 181 18 TYR CB C 39.757 0.1 1 182 18 TYR CD1 C 132.565 0.1 1 183 18 TYR CE1 C 118.070 0.1 1 184 18 TYR N N 125.124 0.1 1 185 19 GLU H H 8.449 0.02 1 186 19 GLU HA H 4.233 0.02 1 187 19 GLU HB2 H 1.973 0.02 2 188 19 GLU HB3 H 1.791 0.02 2 189 19 GLU HG2 H 2.152 0.02 1 190 19 GLU HG3 H 2.152 0.02 1 191 19 GLU C C 176.129 0.1 1 192 19 GLU CA C 55.134 0.1 1 193 19 GLU CB C 30.219 0.1 1 194 19 GLU CG C 36.367 0.1 1 195 19 GLU N N 126.409 0.1 1 196 20 GLU H H 8.438 0.02 1 197 20 GLU HA H 3.831 0.02 1 198 20 GLU HB2 H 2.017 0.02 1 199 20 GLU HB3 H 2.017 0.02 1 200 20 GLU HG2 H 2.264 0.02 1 201 20 GLU HG3 H 2.264 0.02 1 202 20 GLU C C 177.818 0.1 1 203 20 GLU CA C 59.071 0.1 1 204 20 GLU CB C 30.200 0.1 1 205 20 GLU CG C 37.014 0.1 1 206 20 GLU N N 123.956 0.1 1 207 21 ALA H H 8.401 0.02 1 208 21 ALA HA H 4.279 0.02 1 209 21 ALA HB H 1.433 0.02 1 210 21 ALA C C 178.919 0.1 1 211 21 ALA CA C 53.769 0.1 1 212 21 ALA CB C 19.522 0.1 1 213 21 ALA N N 119.930 0.1 1 214 22 THR H H 7.716 0.02 1 215 22 THR HA H 4.253 0.02 1 216 22 THR HB H 4.290 0.02 1 217 22 THR HG2 H 1.283 0.02 1 218 22 THR C C 175.825 0.1 1 219 22 THR CA C 63.141 0.1 1 220 22 THR CB C 69.716 0.1 1 221 22 THR CG2 C 22.460 0.1 1 222 22 THR N N 110.064 0.1 1 223 23 GLY H H 7.616 0.02 1 224 23 GLY HA2 H 4.208 0.02 2 225 23 GLY HA3 H 4.423 0.02 2 226 23 GLY C C 173.338 0.1 1 227 23 GLY CA C 45.427 0.1 1 228 23 GLY N N 108.976 0.1 1 229 24 PRO HA H 4.609 0.02 1 230 24 PRO HB2 H 2.393 0.02 2 231 24 PRO HB3 H 2.074 0.02 2 232 24 PRO HG2 H 2.195 0.02 2 233 24 PRO HG3 H 2.261 0.02 2 234 24 PRO HD2 H 3.815 0.02 2 235 24 PRO HD3 H 4.091 0.02 2 236 24 PRO C C 178.144 0.1 1 237 24 PRO CA C 66.095 0.1 1 238 24 PRO CB C 33.134 0.1 1 239 24 PRO CG C 27.954 0.1 1 240 24 PRO CD C 50.280 0.1 1 241 25 GLN H H 8.491 0.02 1 242 25 GLN HA H 3.955 0.02 1 243 25 GLN HB2 H 2.109 0.02 1 244 25 GLN HB3 H 2.109 0.02 1 245 25 GLN HG2 H 2.502 0.02 2 246 25 GLN HG3 H 2.449 0.02 2 247 25 GLN HE21 H 7.618 0.02 2 248 25 GLN HE22 H 6.913 0.02 2 249 25 GLN C C 179.736 0.1 1 250 25 GLN CA C 60.160 0.1 1 251 25 GLN CB C 27.411 0.1 1 252 25 GLN CG C 34.102 0.1 1 253 25 GLN N N 118.117 0.1 1 254 25 GLN NE2 N 111.939 0.003 1 255 26 GLU H H 8.578 0.02 1 256 26 GLU HA H 4.223 0.02 1 257 26 GLU HB2 H 2.004 0.02 2 258 26 GLU HB3 H 2.125 0.02 2 259 26 GLU HG2 H 2.406 0.02 2 260 26 GLU HG3 H 2.354 0.02 2 261 26 GLU C C 178.900 0.1 1 262 26 GLU CA C 59.321 0.1 1 263 26 GLU CB C 29.335 0.1 1 264 26 GLU CG C 36.691 0.1 1 265 26 GLU N N 122.036 0.1 1 266 27 ALA H H 7.789 0.02 1 267 27 ALA HA H 4.316 0.02 1 268 27 ALA HB H 1.893 0.02 1 269 27 ALA C C 179.394 0.1 1 270 27 ALA CA C 55.691 0.1 1 271 27 ALA CB C 19.364 0.1 1 272 27 ALA N N 121.290 0.1 1 273 28 LEU H H 8.120 0.02 1 274 28 LEU HA H 3.781 0.02 1 275 28 LEU HB2 H 1.753 0.02 2 276 28 LEU HB3 H 1.314 0.02 2 277 28 LEU HG H 1.393 0.02 1 278 28 LEU HD1 H 0.481 0.02 2 279 28 LEU HD2 H 0.286 0.02 2 280 28 LEU C C 178.464 0.1 1 281 28 LEU CA C 58.455 0.1 1 282 28 LEU CB C 42.191 0.1 1 283 28 LEU CG C 26.984 0.1 1 284 28 LEU CD1 C 25.366 0.1 1 285 28 LEU CD2 C 24.072 0.1 1 286 28 LEU N N 116.715 0.1 1 287 29 ALA H H 7.728 0.02 1 288 29 ALA HA H 4.101 0.02 1 289 29 ALA HB H 1.549 0.02 1 290 29 ALA C C 181.634 0.1 1 291 29 ALA CA C 55.746 0.1 1 292 29 ALA CB C 18.362 0.1 1 293 29 ALA N N 121.103 0.1 1 294 30 GLN H H 8.129 0.02 1 295 30 GLN HA H 4.120 0.02 1 296 30 GLN HB2 H 2.283 0.02 2 297 30 GLN HB3 H 2.140 0.02 2 298 30 GLN HG2 H 2.726 0.02 2 299 30 GLN HG3 H 2.482 0.02 2 300 30 GLN HE21 H 7.652 0.02 2 301 30 GLN HE22 H 6.870 0.02 2 302 30 GLN C C 179.204 0.1 1 303 30 GLN CA C 59.241 0.1 1 304 30 GLN CB C 29.071 0.1 1 305 30 GLN CG C 34.426 0.1 1 306 30 GLN N N 118.477 0.1 1 307 30 GLN NE2 N 110.821 0.006 1 308 31 LEU H H 8.628 0.02 1 309 31 LEU HA H 3.917 0.02 1 310 31 LEU HB2 H 1.946 0.02 2 311 31 LEU HB3 H 1.349 0.02 2 312 31 LEU HG H 0.976 0.02 1 313 31 LEU HD1 H 0.752 0.02 2 314 31 LEU HD2 H 0.598 0.02 2 315 31 LEU C C 179.299 0.1 1 316 31 LEU CA C 58.509 0.1 1 317 31 LEU CB C 44.108 0.1 1 318 31 LEU CG C 27.307 0.1 1 319 31 LEU CD1 C 26.337 0.1 1 320 31 LEU CD2 C 25.690 0.1 1 321 31 LEU N N 120.452 0.1 1 322 32 ARG H H 8.675 0.02 1 323 32 ARG HA H 3.800 0.02 1 324 32 ARG HB2 H 1.861 0.02 1 325 32 ARG HB3 H 1.861 0.02 1 326 32 ARG HG2 H 1.591 0.02 1 327 32 ARG HG3 H 1.591 0.02 1 328 32 ARG HD2 H 3.089 0.02 2 329 32 ARG HD3 H 3.038 0.02 2 330 32 ARG HE H 9.003 0.02 1 331 32 ARG C C 178.768 0.1 1 332 32 ARG CA C 60.811 0.1 1 333 32 ARG CB C 30.538 0.1 1 334 32 ARG CG C 30.543 0.1 1 335 32 ARG CD C 43.485 0.1 1 336 32 ARG N N 119.182 0.1 1 337 32 ARG NE N 116.949 0.1 1 338 33 GLU H H 7.387 0.02 1 339 33 GLU HA H 4.212 0.02 1 340 33 GLU HB2 H 2.121 0.02 1 341 33 GLU HB3 H 2.121 0.02 1 342 33 GLU HG2 H 2.374 0.02 2 343 33 GLU HG3 H 2.254 0.02 2 344 33 GLU C C 178.806 0.1 1 345 33 GLU CA C 59.213 0.1 1 346 33 GLU CB C 29.249 0.1 1 347 33 GLU CG C 35.396 0.1 1 348 33 GLU N N 119.791 0.1 1 349 34 LEU H H 8.514 0.02 1 350 34 LEU HA H 4.067 0.02 1 351 34 LEU HB2 H 2.162 0.02 2 352 34 LEU HB3 H 1.515 0.02 2 353 34 LEU HG H 2.039 0.02 1 354 34 LEU HD1 H 1.047 0.02 2 355 34 LEU HD2 H 0.967 0.02 2 356 34 LEU C C 179.907 0.1 1 357 34 LEU CA C 58.021 0.1 1 358 34 LEU CB C 43.225 0.1 1 359 34 LEU CG C 26.984 0.1 1 360 34 LEU CD1 C 26.337 0.1 1 361 34 LEU CD2 C 22.778 0.1 1 362 34 LEU N N 119.518 0.1 1 363 35 CYS H H 8.588 0.02 1 364 35 CYS HA H 3.116 0.02 1 365 35 CYS HB2 H 2.601 0.02 2 366 35 CYS HB3 H 2.508 0.02 2 367 35 CYS C C 176.907 0.1 1 368 35 CYS CA C 63.601 0.1 1 369 35 CYS CB C 26.900 0.1 1 370 35 CYS N N 120.686 0.1 1 371 36 ARG H H 7.962 0.02 1 372 36 ARG HA H 3.616 0.02 1 373 36 ARG HB2 H 1.978 0.02 1 374 36 ARG HB3 H 1.978 0.02 1 375 36 ARG HG2 H 1.528 0.02 2 376 36 ARG HG3 H 1.745 0.02 2 377 36 ARG HD2 H 3.228 0.02 2 378 36 ARG HD3 H 3.164 0.02 2 379 36 ARG C C 179.603 0.1 1 380 36 ARG CA C 60.594 0.1 1 381 36 ARG CB C 30.390 0.1 1 382 36 ARG CG C 28.824 0.189 1 383 36 ARG CD C 43.162 0.1 1 384 36 ARG N N 118.730 0.1 1 385 37 GLN H H 8.308 0.02 1 386 37 GLN HA H 3.978 0.02 1 387 37 GLN HB2 H 2.140 0.02 1 388 37 GLN HB3 H 2.140 0.02 1 389 37 GLN HG2 H 2.706 0.02 2 390 37 GLN HG3 H 2.449 0.02 2 391 37 GLN HE21 H 7.863 0.02 2 392 37 GLN HE22 H 6.725 0.02 2 393 37 GLN C C 176.812 0.1 1 394 37 GLN CA C 59.023 0.1 1 395 37 GLN CB C 28.913 0.1 1 396 37 GLN CG C 34.749 0.1 1 397 37 GLN N N 118.842 0.1 1 398 37 GLN NE2 N 111.659 0.001 1 399 38 TRP H H 7.345 0.02 1 400 38 TRP HA H 4.888 0.02 1 401 38 TRP HB2 H 3.321 0.02 2 402 38 TRP HB3 H 2.763 0.02 2 403 38 TRP HD1 H 7.177 0.02 1 404 38 TRP HE1 H 10.324 0.02 1 405 38 TRP HE3 H 7.113 0.02 1 406 38 TRP HZ2 H 7.364 0.02 1 407 38 TRP HZ3 H 7.099 0.02 1 408 38 TRP HH2 H 7.397 0.02 1 409 38 TRP C C 176.167 0.1 1 410 38 TRP CA C 58.022 0.1 1 411 38 TRP CB C 28.491 0.1 1 412 38 TRP CD1 C 126.871 0.1 1 413 38 TRP CE3 C 120.141 0.1 1 414 38 TRP CZ2 C 113.929 0.1 1 415 38 TRP CZ3 C 120.658 0.1 1 416 38 TRP CH2 C 125.835 0.1 1 417 38 TRP N N 117.183 0.1 1 418 38 TRP NE1 N 129.302 0.1 1 419 39 LEU H H 7.992 0.02 1 420 39 LEU HA H 3.235 0.02 1 421 39 LEU HB2 H 1.257 0.02 2 422 39 LEU HB3 H 0.972 0.800 2 423 39 LEU HG H 0.790 0.02 1 424 39 LEU HD1 H 0.281 0.02 2 425 39 LEU HD2 H -0.640 0.010 2 426 39 LEU C C 177.392 0.009 1 427 39 LEU CA C 57.480 0.1 1 428 39 LEU CB C 42.838 0.1 1 429 39 LEU CG C 27.307 0.1 1 430 39 LEU CD1 C 26.984 0.1 1 431 39 LEU CD2 C 21.813 0.1 1 432 39 LEU N N 115.006 0.1 1 433 40 ARG H H 8.350 0.02 1 434 40 ARG HA H 4.132 0.02 1 435 40 ARG HB2 H 1.798 0.02 2 436 40 ARG HB3 H 1.921 0.02 2 437 40 ARG HG2 H 1.586 0.02 1 438 40 ARG HG3 H 1.586 0.02 1 439 40 ARG HD2 H 3.195 0.02 1 440 40 ARG HD3 H 3.195 0.02 1 441 40 ARG C C 173.983 0.1 1 442 40 ARG CA C 55.781 0.1 1 443 40 ARG CB C 29.249 0.1 1 444 40 ARG CG C 27.307 0.1 1 445 40 ARG CD C 44.132 0.1 1 446 40 ARG N N 112.805 0.1 1 447 41 PRO HA H 4.349 0.02 1 448 41 PRO HB2 H 2.088 0.02 1 449 41 PRO HB3 H 2.088 0.02 1 450 41 PRO HG2 H 1.986 0.02 1 451 41 PRO HG3 H 1.986 0.02 1 452 41 PRO HD2 H 3.999 0.02 2 453 41 PRO HD3 H 3.178 0.02 2 454 41 PRO C C 175.767 0.1 1 455 41 PRO CA C 64.116 0.1 1 456 41 PRO CB C 32.395 0.1 1 457 41 PRO CG C 27.631 0.1 1 458 41 PRO CD C 51.251 0.1 1 459 42 GLU H H 9.829 0.02 1 460 42 GLU HA H 4.193 0.02 1 461 42 GLU HB2 H 1.990 0.02 1 462 42 GLU HB3 H 1.990 0.02 1 463 42 GLU HG2 H 2.387 0.02 2 464 42 GLU HG3 H 2.284 0.02 2 465 42 GLU C C 177.761 0.1 1 466 42 GLU CA C 58.833 0.1 1 467 42 GLU CB C 28.300 0.1 1 468 42 GLU CG C 36.367 0.1 1 469 42 GLU N N 119.067 0.1 1 470 43 VAL H H 7.781 0.02 1 471 43 VAL HA H 4.425 0.02 1 472 43 VAL HB H 2.191 0.02 1 473 43 VAL HG1 H 0.901 0.02 2 474 43 VAL HG2 H 0.884 0.02 2 475 43 VAL C C 175.705 0.013 1 476 43 VAL CA C 62.230 0.1 1 477 43 VAL CB C 34.559 0.1 1 478 43 VAL CG1 C 21.813 0.1 1 479 43 VAL CG2 C 20.195 0.1 1 480 43 VAL N N 114.146 0.1 1 481 44 ARG H H 8.027 0.02 1 482 44 ARG HA H 4.631 0.02 1 483 44 ARG HB2 H 1.528 0.02 2 484 44 ARG HB3 H 1.703 0.02 2 485 44 ARG HG2 H 1.769 0.02 2 486 44 ARG HG3 H 1.479 0.02 2 487 44 ARG HD2 H 3.063 0.02 2 488 44 ARG HD3 H 2.772 0.02 2 489 44 ARG C C 175.478 0.014 1 490 44 ARG CA C 56.613 0.1 1 491 44 ARG CB C 32.607 0.1 1 492 44 ARG CG C 30.219 0.1 1 493 44 ARG CD C 43.485 0.1 1 494 44 ARG N N 122.120 0.1 1 495 45 SER H H 8.542 0.02 1 496 45 SER HA H 4.445 0.02 1 497 45 SER HB2 H 4.445 0.02 2 498 45 SER HB3 H 3.996 0.02 2 499 45 SER C C 175.730 0.1 1 500 45 SER CA C 56.667 0.1 1 501 45 SER CB C 65.805 0.1 1 502 45 SER N N 115.251 0.1 1 503 46 LYS H H 9.093 0.02 1 504 46 LYS HA H 3.790 0.02 1 505 46 LYS HB2 H 1.498 0.02 2 506 46 LYS HB3 H 1.873 0.02 2 507 46 LYS HG2 H 1.622 0.02 2 508 46 LYS HG3 H 1.168 0.02 2 509 46 LYS HD2 H 1.742 0.02 1 510 46 LYS HD3 H 1.742 0.02 1 511 46 LYS HE2 H 3.081 0.02 2 512 46 LYS HE3 H 2.984 0.02 2 513 46 LYS C C 178.369 0.1 1 514 46 LYS CA C 61.677 0.1 1 515 46 LYS CB C 33.500 0.1 1 516 46 LYS CG C 27.954 0.1 1 517 46 LYS CD C 30.867 0.1 1 518 46 LYS CE C 42.515 0.1 1 519 46 LYS N N 119.985 0.1 1 520 47 GLU H H 8.707 0.02 1 521 47 GLU HA H 3.833 0.02 1 522 47 GLU HB2 H 2.013 0.02 2 523 47 GLU HB3 H 1.939 0.02 2 524 47 GLU HG2 H 2.417 0.02 2 525 47 GLU HG3 H 2.220 0.02 2 526 47 GLU C C 179.223 0.1 1 527 47 GLU CA C 61.056 0.1 1 528 47 GLU CB C 29.282 0.1 1 529 47 GLU CG C 37.338 0.1 1 530 47 GLU N N 116.916 0.1 1 531 48 GLN H H 7.849 0.02 1 532 48 GLN HA H 3.952 0.02 1 533 48 GLN HB2 H 2.338 0.02 1 534 48 GLN HB3 H 2.338 0.02 1 535 48 GLN HG2 H 2.445 0.02 1 536 48 GLN HG3 H 2.445 0.02 1 537 48 GLN C C 180.153 0.1 1 538 48 GLN CA C 58.889 0.1 1 539 48 GLN CB C 29.652 0.1 1 540 48 GLN CG C 34.749 0.1 1 541 48 GLN N N 118.663 0.1 1 542 49 MET H H 8.241 0.02 1 543 49 MET HA H 3.662 0.02 1 544 49 MET HB2 H 2.220 0.02 2 545 49 MET HB3 H 1.664 0.02 2 546 49 MET HG2 H 2.149 0.02 2 547 49 MET HG3 H 2.595 0.02 2 548 49 MET HE H 1.774 0.02 1 549 49 MET C C 177.401 0.1 1 550 49 MET CA C 60.593 0.1 1 551 49 MET CB C 33.873 0.1 1 552 49 MET CG C 31.514 0.1 1 553 49 MET CE C 15.665 0.1 1 554 49 MET N N 119.016 0.1 1 555 50 LEU H H 8.048 0.02 1 556 50 LEU HA H 3.763 0.02 1 557 50 LEU HB2 H 1.756 0.02 1 558 50 LEU HB3 H 1.756 0.02 1 559 50 LEU HG H 1.819 0.02 1 560 50 LEU HD1 H 0.738 0.02 2 561 50 LEU C C 179.410 0.003 1 562 50 LEU CA C 59.701 0.1 1 563 50 LEU CB C 41.153 0.1 1 564 50 LEU CG C 28.925 0.1 1 565 50 LEU CD1 C 25.366 0.1 1 566 50 LEU N N 118.791 0.1 1 567 51 GLU H H 7.872 0.02 1 568 51 GLU HA H 4.073 0.02 1 569 51 GLU HB2 H 2.122 0.02 1 570 51 GLU HB3 H 2.122 0.02 1 571 51 GLU HG2 H 2.390 0.02 2 572 51 GLU HG3 H 2.259 0.02 2 573 51 GLU C C 179.223 0.1 1 574 51 GLU CA C 59.701 0.1 1 575 51 GLU CB C 30.549 0.1 1 576 51 GLU CG C 37.338 0.1 1 577 51 GLU N N 117.572 0.1 1 578 52 LEU H H 7.190 0.02 1 579 52 LEU HA H 4.190 0.02 1 580 52 LEU HB2 H 1.338 0.02 2 581 52 LEU HB3 H 1.765 0.02 2 582 52 LEU HG H 1.806 0.02 1 583 52 LEU HD1 H 0.667 0.02 2 584 52 LEU HD2 H 0.888 0.02 2 585 52 LEU C C 180.628 0.1 1 586 52 LEU CA C 58.508 0.1 1 587 52 LEU CB C 41.681 0.1 1 588 52 LEU CG C 27.631 0.1 1 589 52 LEU CD1 C 25.366 0.1 1 590 52 LEU CD2 C 23.101 0.1 1 591 52 LEU N N 118.755 0.1 1 592 53 LEU H H 7.569 0.02 1 593 53 LEU HA H 4.495 0.02 1 594 53 LEU HB2 H 1.690 0.02 2 595 53 LEU HB3 H 2.327 0.02 2 596 53 LEU HG H 1.809 0.02 1 597 53 LEU HD1 H 0.738 0.02 2 598 53 LEU HD2 H 0.999 0.02 2 599 53 LEU C C 181.539 0.1 1 600 53 LEU CA C 57.820 0.1 1 601 53 LEU CB C 42.261 0.1 1 602 53 LEU CG C 26.984 0.1 1 603 53 LEU CD1 C 27.631 0.1 1 604 53 LEU CD2 C 24.395 0.1 1 605 53 LEU N N 121.368 0.1 1 606 54 VAL H H 8.961 0.02 1 607 54 VAL HA H 3.716 0.001 1 608 54 VAL HB H 2.323 0.02 1 609 54 VAL HG1 H 0.905 0.02 2 610 54 VAL HG2 H 1.112 0.02 2 611 54 VAL C C 177.097 0.1 1 612 54 VAL CA C 67.962 0.1 1 613 54 VAL CB C 32.078 0.1 1 614 54 VAL CG1 C 21.813 0.1 1 615 54 VAL CG2 C 24.395 0.1 1 616 54 VAL N N 123.629 0.1 1 617 55 LEU H H 8.509 0.02 1 618 55 LEU HA H 3.935 0.02 1 619 55 LEU HB2 H 1.333 0.02 2 620 55 LEU HB3 H 2.266 0.02 2 621 55 LEU HG H 1.732 0.02 1 622 55 LEU HD1 H 0.814 0.02 2 623 55 LEU HD2 H 0.736 0.02 2 624 55 LEU C C 177.021 0.1 1 625 55 LEU CA C 58.996 0.1 1 626 55 LEU CB C 42.578 0.1 1 627 55 LEU CG C 26.660 0.1 1 628 55 LEU CD1 C 26.013 0.1 1 629 55 LEU CD2 C 23.425 0.1 1 630 55 LEU N N 120.961 0.1 1 631 56 GLU H H 7.747 0.02 1 632 56 GLU HA H 4.037 0.02 1 633 56 GLU HB2 H 2.471 0.02 1 634 56 GLU HB3 H 2.471 0.02 1 635 56 GLU HG2 H 2.139 0.02 1 636 56 GLU HG3 H 2.139 0.02 1 637 56 GLU C C 178.957 0.1 1 638 56 GLU CA C 59.808 0.1 1 639 56 GLU CB C 30.180 0.1 1 640 56 GLU CG C 37.014 0.1 1 641 56 GLU N N 116.527 0.1 1 642 57 GLN H H 7.918 0.02 1 643 57 GLN HA H 3.969 0.02 1 644 57 GLN HB2 H 1.742 0.02 2 645 57 GLN HB3 H 1.663 0.02 2 646 57 GLN HG2 H 1.279 0.02 2 647 57 GLN HG3 H 1.838 0.02 2 648 57 GLN HE21 H 6.673 0.02 2 649 57 GLN HE22 H 6.443 0.02 2 650 57 GLN C C 176.661 0.001 1 651 57 GLN CA C 57.615 0.1 1 652 57 GLN CB C 29.863 0.1 1 653 57 GLN CG C 34.102 0.1 1 654 57 GLN N N 119.045 0.1 1 655 57 GLN NE2 N 114.907 0.1 1 656 58 PHE H H 9.154 0.02 1 657 58 PHE HA H 3.992 0.02 1 658 58 PHE HB2 H 3.051 0.02 2 659 58 PHE HB3 H 3.102 0.02 2 660 58 PHE HD1 H 6.917 0.02 1 661 58 PHE HD2 H 6.917 0.02 1 662 58 PHE HE1 H 7.048 0.02 1 663 58 PHE HE2 H 7.048 0.02 1 664 58 PHE HZ H 6.891 0.02 1 665 58 PHE C C 176.657 0.1 1 666 58 PHE CA C 61.732 0.1 1 667 58 PHE CB C 39.888 0.1 1 668 58 PHE CD1 C 131.530 0.1 1 669 58 PHE CE1 C 131.012 0.1 1 670 58 PHE CZ C 128.400 0.1 1 671 58 PHE N N 120.251 0.1 1 672 59 LEU H H 8.134 0.02 1 673 59 LEU HA H 3.752 0.02 1 674 59 LEU HB2 H 1.930 0.02 2 675 59 LEU HB3 H 1.369 0.02 2 676 59 LEU HG H 1.996 0.02 1 677 59 LEU HD1 H 0.933 0.02 2 678 59 LEU HD2 H 0.796 0.02 2 679 59 LEU C C 179.907 0.1 1 680 59 LEU CA C 57.750 0.1 1 681 59 LEU CB C 41.681 0.1 1 682 59 LEU CG C 27.631 0.1 1 683 59 LEU CD1 C 26.013 0.1 1 684 59 LEU CD2 C 23.975 0.1 1 685 59 LEU N N 115.071 0.1 1 686 60 GLY H H 7.775 0.02 1 687 60 GLY HA2 H 3.757 0.02 2 688 60 GLY HA3 H 3.788 0.02 2 689 60 GLY C C 174.382 0.1 1 690 60 GLY CA C 46.536 0.1 1 691 60 GLY N N 104.103 0.1 1 692 61 ALA H H 7.614 0.02 1 693 61 ALA HA H 4.497 0.02 1 694 61 ALA HB H 1.612 0.02 1 695 61 ALA C C 177.521 0.006 1 696 61 ALA CA C 51.899 0.1 1 697 61 ALA CB C 20.524 0.1 1 698 61 ALA N N 121.422 0.1 1 699 62 LEU H H 6.934 0.02 1 700 62 LEU HA H 4.066 0.02 1 701 62 LEU HB2 H 1.544 0.02 2 702 62 LEU HB3 H 0.918 0.02 2 703 62 LEU HG H 1.874 0.02 1 704 62 LEU HD1 H 0.540 0.02 2 705 62 LEU HD2 H -0.073 0.02 2 706 62 LEU C C 174.059 0.1 1 707 62 LEU CA C 53.192 0.1 1 708 62 LEU CB C 41.544 0.1 1 709 62 LEU CG C 25.042 0.1 1 710 62 LEU CD1 C 26.337 0.1 1 711 62 LEU CD2 C 21.489 0.1 1 712 62 LEU N N 119.172 0.1 1 713 63 PRO HA H 4.765 0.02 1 714 63 PRO HB2 H 2.582 0.02 2 715 63 PRO HB3 H 2.034 0.02 2 716 63 PRO HG2 H 2.284 0.02 2 717 63 PRO HG3 H 2.099 0.02 2 718 63 PRO HD2 H 3.818 0.02 2 719 63 PRO HD3 H 3.236 0.02 2 720 63 PRO CA C 61.928 0.1 1 721 63 PRO CB C 31.190 0.1 1 722 63 PRO CG C 28.278 0.1 1 723 63 PRO CD C 50.604 0.1 1 724 64 PRO HA H 4.161 0.02 1 725 64 PRO HB2 H 2.399 0.02 2 726 64 PRO HB3 H 1.988 0.02 2 727 64 PRO HG2 H 2.187 0.02 2 728 64 PRO HG3 H 2.101 0.02 2 729 64 PRO HD2 H 3.897 0.02 2 730 64 PRO HD3 H 3.835 0.02 2 731 64 PRO C C 178.616 0.1 1 732 64 PRO CA C 66.363 0.1 1 733 64 PRO CB C 32.607 0.1 1 734 64 PRO CG C 28.200 0.1 1 735 64 PRO CD C 50.927 0.1 1 736 65 GLU H H 9.547 0.02 1 737 65 GLU HA H 4.151 0.02 1 738 65 GLU HB2 H 2.045 0.02 1 739 65 GLU HB3 H 2.045 0.02 1 740 65 GLU HG2 H 2.338 0.02 1 741 65 GLU HG3 H 2.338 0.02 1 742 65 GLU C C 178.768 0.1 1 743 65 GLU CA C 59.944 0.1 1 744 65 GLU CB C 28.966 0.1 1 745 65 GLU CG C 36.691 0.1 1 746 65 GLU N N 117.560 0.1 1 747 66 ILE H H 7.361 0.02 1 748 66 ILE HA H 4.010 0.02 1 749 66 ILE HB H 1.815 0.02 1 750 66 ILE HG12 H 1.165 0.02 2 751 66 ILE HG13 H 1.577 0.02 2 752 66 ILE HG2 H 0.898 0.02 1 753 66 ILE HD1 H 0.878 0.02 1 754 66 ILE C C 177.230 0.1 1 755 66 ILE CA C 63.385 0.1 1 756 66 ILE CB C 38.780 0.1 1 757 66 ILE CG1 C 28.278 0.1 1 758 66 ILE CG2 C 19.224 0.1 1 759 66 ILE CD1 C 12.753 0.1 1 760 66 ILE N N 117.183 0.1 1 761 67 GLN H H 8.498 0.02 1 762 67 GLN HA H 3.561 0.02 1 763 67 GLN HB2 H 2.056 0.02 2 764 67 GLN HB3 H 1.950 0.02 2 765 67 GLN HG2 H 2.052 0.02 2 766 67 GLN HG3 H 2.374 0.003 2 767 67 GLN HE21 H 7.621 0.02 2 768 67 GLN HE22 H 6.714 0.02 2 769 67 GLN C C 177.799 0.1 1 770 67 GLN CA C 60.675 0.1 1 771 67 GLN CB C 29.705 0.1 1 772 67 GLN CG C 34.426 0.1 1 773 67 GLN N N 120.823 0.1 1 774 67 GLN NE2 N 112.445 0.003 1 775 68 ALA H H 8.082 0.02 1 776 68 ALA HA H 4.132 0.02 1 777 68 ALA HB H 1.446 0.02 1 778 68 ALA C C 180.704 0.1 1 779 68 ALA CA C 55.312 0.1 1 780 68 ALA CB C 18.625 0.1 1 781 68 ALA N N 118.446 0.1 1 782 69 ARG H H 7.356 0.02 1 783 69 ARG HA H 4.182 0.02 1 784 69 ARG HB2 H 1.995 0.02 2 785 69 ARG HB3 H 1.916 0.02 2 786 69 ARG HG2 H 1.833 0.02 2 787 69 ARG HG3 H 1.744 0.02 2 788 69 ARG HD2 H 3.244 0.02 1 789 69 ARG HD3 H 3.244 0.02 1 790 69 ARG C C 178.578 0.1 1 791 69 ARG CA C 58.265 0.1 1 792 69 ARG CB C 31.190 0.1 1 793 69 ARG CG C 27.631 0.1 1 794 69 ARG CD C 43.809 0.1 1 795 69 ARG N N 117.121 0.1 1 796 70 VAL H H 7.966 0.02 1 797 70 VAL HA H 3.797 0.02 1 798 70 VAL HB H 1.965 0.02 1 799 70 VAL HG1 H 0.870 0.02 1 800 70 VAL HG2 H 0.870 0.02 1 801 70 VAL C C 177.685 0.1 1 802 70 VAL CA C 65.632 0.1 1 803 70 VAL CB C 32.551 0.1 1 804 70 VAL CG1 C 22.460 0.1 1 805 70 VAL N N 117.892 0.1 1 806 71 GLN H H 8.577 0.02 1 807 71 GLN HA H 3.973 0.02 1 808 71 GLN HB2 H 2.094 0.02 1 809 71 GLN HB3 H 2.094 0.02 1 810 71 GLN HG2 H 2.400 0.02 1 811 71 GLN HG3 H 2.400 0.02 1 812 71 GLN HE21 H 7.257 0.02 2 813 71 GLN HE22 H 6.696 0.02 2 814 71 GLN C C 179.565 0.1 1 815 71 GLN CA C 59.375 0.1 1 816 71 GLN CB C 28.702 0.1 1 817 71 GLN CG C 34.426 0.1 1 818 71 GLN N N 118.938 0.1 1 819 71 GLN NE2 N 110.681 0.001 1 820 72 GLY H H 8.067 0.02 1 821 72 GLY HA2 H 3.951 0.02 1 822 72 GLY HA3 H 3.951 0.02 1 823 72 GLY C C 174.667 0.1 1 824 72 GLY CA C 46.374 0.1 1 825 72 GLY N N 106.656 0.1 1 826 73 GLN H H 7.462 0.02 1 827 73 GLN HA H 4.327 0.02 1 828 73 GLN HB2 H 2.299 0.02 1 829 73 GLN HB3 H 2.299 0.02 1 830 73 GLN HG2 H 2.438 0.02 1 831 73 GLN HG3 H 2.438 0.02 1 832 73 GLN HE21 H 7.486 0.02 2 833 73 GLN HE22 H 6.899 0.02 2 834 73 GLN C C 175.104 0.1 1 835 73 GLN CA C 55.718 0.1 1 836 73 GLN CB C 29.570 0.1 1 837 73 GLN CG C 34.426 0.1 1 838 73 GLN N N 118.051 0.1 1 839 73 GLN NE2 N 112.327 0.1 1 840 74 ARG H H 8.017 0.02 1 841 74 ARG HA H 4.315 0.02 1 842 74 ARG HB2 H 1.764 0.02 2 843 74 ARG HB3 H 1.710 0.02 2 844 74 ARG HG2 H 1.528 0.02 1 845 74 ARG HG3 H 1.528 0.02 1 846 74 ARG HD2 H 3.271 0.02 2 847 74 ARG HD3 H 3.145 0.02 2 848 74 ARG C C 173.053 0.1 1 849 74 ARG CA C 55.457 0.1 1 850 74 ARG CB C 28.925 0.1 1 851 74 ARG CG C 26.013 0.1 1 852 74 ARG CD C 43.485 0.1 1 853 74 ARG N N 116.417 0.1 1 854 75 PRO HA H 4.462 0.02 1 855 75 PRO HB2 H 1.886 0.02 2 856 75 PRO HB3 H 1.990 0.02 2 857 75 PRO HG2 H 2.105 0.02 2 858 75 PRO HG3 H 1.749 0.02 2 859 75 PRO HD2 H 3.599 0.02 2 860 75 PRO HD3 H 3.661 0.02 2 861 75 PRO C C 177.538 0.1 1 862 75 PRO CA C 62.992 0.1 1 863 75 PRO CB C 32.184 0.1 1 864 75 PRO CG C 28.278 0.1 1 865 75 PRO CD C 50.604 0.1 1 866 76 GLY H H 8.920 0.02 1 867 76 GLY HA2 H 4.280 0.02 2 868 76 GLY HA3 H 3.819 0.02 2 869 76 GLY C C 173.655 0.013 1 870 76 GLY CA C 45.426 0.1 1 871 76 GLY N N 107.400 0.1 1 872 77 SER H H 7.454 0.02 1 873 77 SER HA H 5.020 0.02 1 874 77 SER HB2 H 4.309 0.02 2 875 77 SER HB3 H 3.993 0.02 2 876 77 SER C C 172.920 0.1 1 877 77 SER CA C 55.781 0.1 1 878 77 SER CB C 64.835 0.1 1 879 77 SER N N 111.468 0.1 1 880 78 PRO HA H 3.979 0.02 1 881 78 PRO HB2 H 2.097 0.02 2 882 78 PRO HB3 H 1.908 0.02 2 883 78 PRO HG2 H 1.822 0.02 2 884 78 PRO HG3 H 2.536 0.02 2 885 78 PRO HD2 H 4.133 0.02 2 886 78 PRO HD3 H 3.806 0.02 2 887 78 PRO C C 176.962 0.1 1 888 78 PRO CA C 66.416 0.1 1 889 78 PRO CB C 32.800 0.1 1 890 78 PRO CG C 28.602 0.1 1 891 78 PRO CD C 51.574 0.1 1 892 79 GLU H H 8.930 0.02 1 893 79 GLU HA H 3.798 0.02 1 894 79 GLU HB2 H 2.016 0.02 2 895 79 GLU HB3 H 1.918 0.02 2 896 79 GLU HG2 H 2.224 0.02 2 897 79 GLU HG3 H 2.465 0.02 2 898 79 GLU C C 179.755 0.1 1 899 79 GLU CA C 61.108 0.1 1 900 79 GLU CB C 29.019 0.1 1 901 79 GLU CG C 37.661 0.1 1 902 79 GLU N N 117.416 0.1 1 903 80 GLU H H 7.829 0.02 1 904 80 GLU HA H 4.087 0.02 1 905 80 GLU HB2 H 2.113 0.02 1 906 80 GLU HB3 H 2.113 0.02 1 907 80 GLU HG2 H 2.390 0.02 2 908 80 GLU HG3 H 2.270 0.02 2 909 80 GLU C C 179.033 0.1 1 910 80 GLU CA C 59.294 0.1 1 911 80 GLU CB C 30.971 0.1 1 912 80 GLU CG C 37.014 0.1 1 913 80 GLU N N 120.836 0.1 1 914 81 ALA H H 7.947 0.02 1 915 81 ALA HA H 3.936 0.02 1 916 81 ALA HB H 1.405 0.02 1 917 81 ALA C C 178.502 0.1 1 918 81 ALA CA C 55.529 0.1 1 919 81 ALA CB C 18.889 0.1 1 920 81 ALA N N 121.296 0.1 1 921 82 ALA H H 8.507 0.02 1 922 82 ALA HA H 3.924 0.02 1 923 82 ALA HB H 1.247 0.02 1 924 82 ALA C C 178.938 0.1 1 925 82 ALA CA C 55.557 0.1 1 926 82 ALA CB C 18.247 0.1 1 927 82 ALA N N 119.752 0.1 1 928 83 ALA H H 7.760 0.02 1 929 83 ALA HA H 4.241 0.02 1 930 83 ALA HB H 1.522 0.02 1 931 83 ALA C C 181.274 0.1 1 932 83 ALA CA C 55.124 0.1 1 933 83 ALA CB C 18.309 0.1 1 934 83 ALA N N 120.219 0.1 1 935 84 LEU H H 7.833 0.02 1 936 84 LEU HA H 4.192 0.02 1 937 84 LEU HB2 H 1.466 0.02 2 938 84 LEU HB3 H 2.120 0.02 2 939 84 LEU HG H 1.934 0.02 1 940 84 LEU HD1 H 0.930 0.02 2 941 84 LEU HD2 H 0.913 0.02 2 942 84 LEU C C 179.755 0.1 1 943 84 LEU CA C 57.588 0.1 1 944 84 LEU CB C 43.000 0.1 1 945 84 LEU CG C 26.984 0.1 1 946 84 LEU CD1 C 26.660 0.1 1 947 84 LEU CD2 C 23.425 0.1 1 948 84 LEU N N 119.617 0.1 1 949 85 VAL H H 7.903 0.02 1 950 85 VAL HA H 3.487 0.02 1 951 85 VAL HB H 2.270 0.02 1 952 85 VAL HG1 H 1.094 0.02 2 953 85 VAL HG2 H 0.982 0.02 2 954 85 VAL C C 178.293 0.1 1 955 85 VAL CA C 67.149 0.1 1 956 85 VAL CB C 32.132 0.1 1 957 85 VAL CG1 C 24.719 0.1 1 958 85 VAL CG2 C 21.813 0.1 1 959 85 VAL N N 119.427 0.1 1 960 86 ASP H H 8.391 0.02 1 961 86 ASP HA H 4.562 0.02 1 962 86 ASP HB2 H 2.804 0.02 2 963 86 ASP HB3 H 2.719 0.02 2 964 86 ASP C C 178.749 0.1 1 965 86 ASP CA C 57.398 0.1 1 966 86 ASP CB C 41.554 0.1 1 967 86 ASP N N 120.250 0.1 1 968 87 GLY H H 7.966 0.02 1 969 87 GLY HA2 H 3.976 0.02 1 970 87 GLY HA3 H 3.976 0.02 1 971 87 GLY C C 175.540 0.1 1 972 87 GLY CA C 46.397 0.1 1 973 87 GLY N N 105.358 0.1 1 974 88 LEU H H 7.645 0.02 1 975 88 LEU HA H 4.310 0.02 1 976 88 LEU HB2 H 1.848 0.02 2 977 88 LEU HB3 H 1.569 0.02 2 978 88 LEU HG H 1.934 0.02 1 979 88 LEU HD1 H 0.867 0.02 2 980 88 LEU HD2 H 0.866 0.02 2 981 88 LEU C C 178.141 0.1 1 982 88 LEU CA C 56.180 0.1 1 983 88 LEU CB C 42.420 0.1 1 984 88 LEU CG C 26.660 0.1 1 985 88 LEU CD1 C 26.660 0.1 1 986 88 LEU CD2 C 23.101 0.1 1 987 88 LEU N N 120.596 0.1 1 988 89 ARG H H 7.804 0.02 1 989 89 ARG HA H 4.326 0.02 1 990 89 ARG HB2 H 1.973 0.02 1 991 89 ARG HB3 H 1.973 0.02 1 992 89 ARG HG2 H 1.822 0.02 2 993 89 ARG HG3 H 1.753 0.02 2 994 89 ARG HD2 H 3.322 0.02 1 995 89 ARG HD3 H 3.322 0.02 1 996 89 ARG C C 176.546 0.1 1 997 89 ARG CA C 57.000 0.1 1 998 89 ARG CB C 30.867 0.1 1 999 89 ARG CG C 27.631 0.1 1 1000 89 ARG CD C 44.132 0.1 1 1001 89 ARG N N 119.441 0.1 1 1002 90 ARG H H 8.002 0.02 1 1003 90 ARG HA H 4.366 0.02 1 1004 90 ARG HB2 H 1.897 0.02 2 1005 90 ARG HB3 H 1.799 0.02 2 1006 90 ARG HG2 H 1.680 0.02 1 1007 90 ARG HG3 H 1.680 0.02 1 1008 90 ARG HD2 H 3.221 0.02 1 1009 90 ARG HD3 H 3.221 0.02 1 1010 90 ARG C C 176.262 0.1 1 1011 90 ARG CA C 56.287 0.1 1 1012 90 ARG CB C 31.474 0.1 1 1013 90 ARG CG C 27.307 0.1 1 1014 90 ARG CD C 43.485 0.1 1 1015 90 ARG N N 120.990 0.1 1 1016 91 GLU H H 8.249 0.02 1 1017 91 GLU HA H 4.588 0.02 1 1018 91 GLU HB2 H 2.058 0.02 2 1019 91 GLU HB3 H 1.935 0.02 2 1020 91 GLU HG2 H 2.304 0.02 1 1021 91 GLU HG3 H 2.304 0.02 1 1022 91 GLU C C 174.819 0.1 1 1023 91 GLU CA C 55.134 0.1 1 1024 91 GLU CB C 29.896 0.1 1 1025 91 GLU CG C 36.367 0.1 1 1026 91 GLU N N 123.255 0.1 1 1027 92 PRO HA H 4.437 0.02 1 1028 92 PRO HB2 H 2.312 0.02 2 1029 92 PRO HB3 H 1.981 0.02 2 1030 92 PRO HG2 H 2.067 0.02 1 1031 92 PRO HG3 H 2.067 0.02 1 1032 92 PRO HD2 H 3.822 0.02 2 1033 92 PRO HD3 H 3.732 0.02 2 1034 92 PRO C C 177.819 0.1 1 1035 92 PRO CA C 63.955 0.1 1 1036 92 PRO CB C 32.161 0.1 1 1037 92 PRO CG C 27.631 0.1 1 1038 92 PRO CD C 50.927 0.1 1 1039 93 GLY H H 8.491 0.02 1 1040 93 GLY HA2 H 3.967 0.02 1 1041 93 GLY HA3 H 3.967 0.02 1 1042 93 GLY C C 173.926 0.1 1 1043 93 GLY CA C 45.561 0.1 1 1044 93 GLY N N 109.934 0.1 1 1045 94 GLY H H 7.940 0.004 1 1046 94 GLY HA2 H 3.838 0.02 1 1047 94 GLY HA3 H 3.838 0.02 1 1048 94 GLY C C 179.299 0.1 1 1049 94 GLY CA C 44.132 0.1 1 1050 94 GLY N N 115.438 0.1 1 stop_ save_