data_5602 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete resonance assignments for the nudix hydrolase DR2356 of Deinococcus radiodurans ; _BMRB_accession_number 5602 _BMRB_flat_file_name bmr5602.str _Entry_type original _Submission_date 2002-11-26 _Accession_date 2002-11-26 _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 Nguyen Tuan N. . 2 Wemmer David E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 716 "13C chemical shifts" 535 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-07 original author . stop_ _Original_release_date 2003-08-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Complete resonance assignments for the nudix hydrolase DR2356 of Deinococcus radiodurans ; _Citation_status published _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 Nguyen Tuan N. . 2 Wemmer David E. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 181 _Page_last 182 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_system_DR2356 _Saveframe_category molecular_system _Mol_system_name DR2356 _Abbreviation_common DR2356 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DR2356 $DR2356 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DR2356 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DR2356 _Abbreviation_common DR2356 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 144 _Mol_residue_sequence ; MSANPPLRPRAVALIYDDQH HILLMLRHKNGKKYATLPGG GIEEGETPQGACAREVLEEV NLTVQVGEQVLELDNLHGAN PSHEHYFRCRVVSGEMRLGD GPEGIRQSEDNWYQPEWVAL NRLEEVNLVPEQVRELVRTQ EVNP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ALA 4 ASN 5 PRO 6 PRO 7 LEU 8 ARG 9 PRO 10 ARG 11 ALA 12 VAL 13 ALA 14 LEU 15 ILE 16 TYR 17 ASP 18 ASP 19 GLN 20 HIS 21 HIS 22 ILE 23 LEU 24 LEU 25 MET 26 LEU 27 ARG 28 HIS 29 LYS 30 ASN 31 GLY 32 LYS 33 LYS 34 TYR 35 ALA 36 THR 37 LEU 38 PRO 39 GLY 40 GLY 41 GLY 42 ILE 43 GLU 44 GLU 45 GLY 46 GLU 47 THR 48 PRO 49 GLN 50 GLY 51 ALA 52 CYS 53 ALA 54 ARG 55 GLU 56 VAL 57 LEU 58 GLU 59 GLU 60 VAL 61 ASN 62 LEU 63 THR 64 VAL 65 GLN 66 VAL 67 GLY 68 GLU 69 GLN 70 VAL 71 LEU 72 GLU 73 LEU 74 ASP 75 ASN 76 LEU 77 HIS 78 GLY 79 ALA 80 ASN 81 PRO 82 SER 83 HIS 84 GLU 85 HIS 86 TYR 87 PHE 88 ARG 89 CYS 90 ARG 91 VAL 92 VAL 93 SER 94 GLY 95 GLU 96 MET 97 ARG 98 LEU 99 GLY 100 ASP 101 GLY 102 PRO 103 GLU 104 GLY 105 ILE 106 ARG 107 GLN 108 SER 109 GLU 110 ASP 111 ASN 112 TRP 113 TYR 114 GLN 115 PRO 116 GLU 117 TRP 118 VAL 119 ALA 120 LEU 121 ASN 122 ARG 123 LEU 124 GLU 125 GLU 126 VAL 127 ASN 128 LEU 129 VAL 130 PRO 131 GLU 132 GLN 133 VAL 134 ARG 135 GLU 136 LEU 137 VAL 138 ARG 139 THR 140 GLN 141 GLU 142 VAL 143 ASN 144 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 GB AAF11902 "MutT/nudix family protein [Deinococcus radiodurans R1]" 100.00 144 100.00 100.00 1.82e-99 REF NP_296077 "MutT/nudix family protein [Deinococcus radiodurans R1]" 100.00 144 100.00 100.00 1.82e-99 REF WP_010888982 "DNA mismatch repair protein MutT [Deinococcus radiodurans]" 100.00 144 100.00 100.00 1.82e-99 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DR2356 'Deinococcus radiodurans' 1299 Eubacteria . Deinococcus radiodurans 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 $DR2356 'recombinant technology' . . . . . 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 $DR2356 1.0 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name DR2356 _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 ALA CA C 52.552 0.40 1 2 . 3 ALA HA H 4.210 0.02 1 3 . 3 ALA CB C 19.618 0.40 1 4 . 3 ALA HB H 1.215 0.02 1 5 . 3 ALA C C 172.825 0.40 1 6 . 4 ASN N N 121.319 0.20 1 7 . 4 ASN H H 8.228 0.02 1 8 . 4 ASN CA C 51.002 0.40 1 9 . 4 ASN HA H 4.600 0.02 1 10 . 4 ASN CB C 41.700 0.40 1 11 . 4 ASN HB2 H 2.548 0.02 2 12 . 4 ASN HB3 H 2.705 0.02 2 13 . 4 ASN C C 175.932 0.40 1 14 . 6 PRO CA C 63.203 0.40 1 15 . 6 PRO HA H 4.237 0.02 1 16 . 6 PRO CB C 32.449 0.40 1 17 . 6 PRO HB2 H 1.828 0.02 2 18 . 6 PRO HB3 H 2.206 0.02 2 19 . 6 PRO CG C 27.663 0.40 1 20 . 6 PRO CD C 50.433 0.40 1 21 . 6 PRO HD2 H 3.571 0.02 2 22 . 6 PRO HD3 H 3.716 0.02 2 23 . 6 PRO C C 176.659 0.40 1 24 . 7 LEU N N 124.266 0.20 1 25 . 7 LEU H H 8.167 0.02 1 26 . 7 LEU CA C 54.424 0.40 1 27 . 7 LEU HA H 4.193 0.02 1 28 . 7 LEU CB C 43.169 0.40 1 29 . 7 LEU HB2 H 1.213 0.02 2 30 . 7 LEU HB3 H 1.552 0.02 2 31 . 7 LEU CG C 27.054 0.40 1 32 . 7 LEU HG H 1.468 0.02 1 33 . 7 LEU CD1 C 25.111 0.40 1 34 . 7 LEU HD1 H 0.738 0.02 1 35 . 7 LEU CD2 C 23.431 0.40 1 36 . 7 LEU HD2 H 0.677 0.02 1 37 . 7 LEU C C 176.956 0.40 1 38 . 8 ARG N N 126.585 0.20 1 39 . 8 ARG H H 8.227 0.02 1 40 . 8 ARG CA C 53.895 0.40 1 41 . 8 ARG HA H 4.544 0.02 1 42 . 8 ARG CB C 30.212 0.40 1 43 . 8 ARG HB2 H 1.352 0.02 2 44 . 8 ARG HB3 H 1.635 0.02 2 45 . 8 ARG HG2 H 0.745 0.02 2 46 . 8 ARG HG3 H 1.291 0.02 2 47 . 8 ARG CD C 43.426 0.40 1 48 . 8 ARG HD2 H 3.139 0.02 1 49 . 8 ARG HD3 H 3.139 0.02 1 50 . 8 ARG C C 174.827 0.40 1 51 . 9 PRO CA C 62.757 0.40 1 52 . 9 PRO HA H 5.390 0.02 1 53 . 9 PRO CB C 32.989 0.40 1 54 . 9 PRO HB2 H 2.265 0.02 2 55 . 9 PRO HB3 H 2.439 0.02 2 56 . 9 PRO CG C 27.452 0.40 1 57 . 9 PRO HG2 H 2.093 0.02 1 58 . 9 PRO HG3 H 2.093 0.02 1 59 . 9 PRO HD2 H 3.782 0.02 2 60 . 9 PRO HD3 H 3.962 0.02 2 61 . 9 PRO C C 176.659 0.40 1 62 . 10 ARG N N 124.266 0.20 1 63 . 10 ARG H H 9.009 0.02 1 64 . 10 ARG CA C 55.064 0.40 1 65 . 10 ARG HA H 4.929 0.02 1 66 . 10 ARG CB C 36.022 0.40 1 67 . 10 ARG HB2 H 1.465 0.02 2 68 . 10 ARG HB3 H 1.449 0.02 2 69 . 10 ARG CG C 28.639 0.40 1 70 . 10 ARG HG2 H 1.217 0.02 1 71 . 10 ARG HG3 H 1.217 0.02 1 72 . 10 ARG CD C 43.000 0.40 1 73 . 10 ARG HD2 H 3.110 0.02 2 74 . 10 ARG HD3 H 3.018 0.02 2 75 . 10 ARG C C 173.929 0.40 1 76 . 11 ALA N N 127.679 0.20 1 77 . 11 ALA H H 8.980 0.02 1 78 . 11 ALA CA C 50.455 0.40 1 79 . 11 ALA HA H 5.344 0.02 1 80 . 11 ALA CB C 22.145 0.40 1 81 . 11 ALA HB H 1.275 0.02 1 82 . 11 ALA C C 175.163 0.40 1 83 . 12 VAL N N 123.840 0.20 1 84 . 12 VAL H H 8.988 0.02 1 85 . 12 VAL CA C 61.248 0.40 1 86 . 12 VAL HA H 4.505 0.02 1 87 . 12 VAL CB C 34.481 0.40 1 88 . 12 VAL HB H 0.876 0.02 1 89 . 12 VAL CG2 C 20.425 0.40 1 90 . 12 VAL HG2 H 0.119 0.02 1 91 . 12 VAL CG1 C 24.259 0.40 1 92 . 12 VAL HG1 H 0.661 0.02 1 93 . 12 VAL C C 173.448 0.40 1 94 . 13 ALA N N 130.666 0.20 1 95 . 13 ALA H H 8.458 0.02 1 96 . 13 ALA CA C 50.823 0.40 1 97 . 13 ALA HA H 4.887 0.02 1 98 . 13 ALA CB C 23.924 0.40 1 99 . 13 ALA HB H 1.107 0.02 1 100 . 13 ALA C C 175.696 0.40 1 101 . 14 LEU N N 125.647 0.20 1 102 . 14 LEU H H 8.888 0.02 1 103 . 14 LEU CA C 55.135 0.40 1 104 . 14 LEU HA H 4.381 0.02 1 105 . 14 LEU CB C 42.574 0.40 1 106 . 14 LEU HB2 H 1.806 0.02 2 107 . 14 LEU HB3 H 1.507 0.02 2 108 . 14 LEU HG H 1.618 0.02 1 109 . 14 LEU CD1 C 26.706 0.40 2 110 . 14 LEU HD1 H 0.866 0.02 2 111 . 14 LEU HD2 H 0.962 0.02 2 112 . 14 LEU C C 174.224 0.40 1 113 . 15 ILE N N 128.533 0.20 1 114 . 15 ILE H H 9.294 0.02 1 115 . 15 ILE CA C 60.589 0.40 1 116 . 15 ILE HA H 4.302 0.02 1 117 . 15 ILE CB C 39.563 0.40 1 118 . 15 ILE HB H 1.743 0.02 1 119 . 15 ILE HG12 H 1.455 0.02 2 120 . 15 ILE HG13 H 1.415 0.02 2 121 . 15 ILE HD1 H 0.631 0.02 1 122 . 15 ILE CG2 C 19.147 0.40 2 123 . 15 ILE HG2 H 0.842 0.02 1 124 . 15 ILE C C 173.169 0.40 1 125 . 16 TYR N N 126.826 0.20 1 126 . 16 TYR H H 8.487 0.02 1 127 . 16 TYR CA C 56.040 0.40 1 128 . 16 TYR HA H 6.058 0.02 1 129 . 16 TYR CB C 41.728 0.40 1 130 . 16 TYR HB2 H 2.834 0.02 2 131 . 16 TYR HB3 H 3.162 0.02 2 132 . 16 TYR CD1 C 133.729 0.40 1 133 . 16 TYR HD1 H 6.925 0.02 1 134 . 16 TYR HD2 H 6.925 0.02 1 135 . 16 TYR C C 177.533 0.40 1 136 . 17 ASP N N 123.839 0.20 1 137 . 17 ASP H H 8.195 0.02 1 138 . 17 ASP CA C 51.603 0.40 1 139 . 17 ASP HA H 4.574 0.02 1 140 . 17 ASP CB C 39.791 0.40 1 141 . 17 ASP HB2 H 1.045 0.02 2 142 . 17 ASP HB3 H 2.456 0.02 2 143 . 17 ASP C C 177.674 0.40 1 144 . 18 ASP N N 118.581 0.20 1 145 . 18 ASP H H 8.057 0.02 1 146 . 18 ASP CA C 55.318 0.40 1 147 . 18 ASP HA H 4.452 0.02 1 148 . 18 ASP CB C 40.273 0.40 1 149 . 18 ASP HB2 H 2.495 0.02 2 150 . 18 ASP HB3 H 2.636 0.02 2 151 . 18 ASP C C 176.594 0.40 1 152 . 19 GLN N N 121.727 0.20 1 153 . 19 GLN H H 7.838 0.02 1 154 . 19 GLN CA C 54.571 0.40 1 155 . 19 GLN HA H 4.140 0.02 1 156 . 19 GLN CB C 29.328 0.40 1 157 . 19 GLN HB2 H 1.380 0.02 2 158 . 19 GLN HB3 H 1.998 0.02 2 159 . 19 GLN CG C 33.736 0.40 1 160 . 19 GLN C C 174.720 0.40 1 161 . 20 HIS N N 116.587 0.20 1 162 . 20 HIS H H 8.334 0.02 1 163 . 20 HIS CA C 56.830 0.40 1 164 . 20 HIS HA H 4.225 0.02 1 165 . 20 HIS CB C 27.179 0.40 1 166 . 20 HIS HB2 H 3.203 0.02 2 167 . 20 HIS HB3 H 3.392 0.02 2 168 . 20 HIS C C 174.600 0.40 1 169 . 21 HIS N N 118.294 0.20 1 170 . 21 HIS H H 8.666 0.02 1 171 . 21 HIS CA C 54.978 0.40 1 172 . 21 HIS HA H 5.240 0.02 1 173 . 21 HIS CB C 31.034 0.40 1 174 . 21 HIS HB2 H 2.968 0.02 2 175 . 21 HIS HB3 H 3.220 0.02 2 176 . 21 HIS C C 173.547 0.40 1 177 . 22 ILE N N 122.133 0.20 1 178 . 22 ILE H H 8.925 0.02 1 179 . 22 ILE CA C 56.008 0.40 1 180 . 22 ILE HA H 5.149 0.02 1 181 . 22 ILE CB C 42.562 0.40 1 182 . 22 ILE HB H 1.375 0.02 1 183 . 22 ILE CG1 C 29.390 0.40 2 184 . 22 ILE HG12 H 0.831 0.02 2 185 . 22 ILE HG13 H 1.169 0.02 2 186 . 22 ILE CD1 C 13.903 0.40 1 187 . 22 ILE HD1 H 0.318 0.02 1 188 . 22 ILE CG2 C 17.869 0.40 2 189 . 22 ILE HG2 H 0.833 0.02 1 190 . 22 ILE C C 173.361 0.40 1 191 . 23 LEU N N 132.799 0.20 1 192 . 23 LEU H H 8.071 0.02 1 193 . 23 LEU CA C 55.303 0.40 1 194 . 23 LEU HA H 4.029 0.02 1 195 . 23 LEU CB C 40.955 0.40 1 196 . 23 LEU HB2 H 1.390 0.02 2 197 . 23 LEU HB3 H 1.425 0.02 2 198 . 23 LEU CG C 27.240 0.40 1 199 . 23 LEU HG H 0.546 0.02 1 200 . 23 LEU CD1 C 22.555 0.40 1 201 . 23 LEU HD1 H -0.330 0.02 1 202 . 23 LEU CD2 C 25.665 0.40 1 203 . 23 LEU HD2 H 0.222 0.02 1 204 . 23 LEU C C 174.910 0.40 1 205 . 24 LEU N N 126.826 0.20 1 206 . 24 LEU H H 8.559 0.02 1 207 . 24 LEU CA C 52.276 0.40 1 208 . 24 LEU HA H 4.768 0.02 1 209 . 24 LEU CB C 46.430 0.40 1 210 . 24 LEU HB2 H 1.111 0.02 2 211 . 24 LEU HB3 H 1.530 0.02 2 212 . 24 LEU CG C 26.388 0.40 1 213 . 24 LEU HG H 1.614 0.02 1 214 . 24 LEU CD1 C 26.388 0.40 1 215 . 24 LEU HD1 H 0.590 0.02 1 216 . 24 LEU CD2 C 25.536 0.40 1 217 . 24 LEU HD2 H 0.744 0.02 1 218 . 24 LEU C C 174.471 0.40 1 219 . 25 MET N N 118.881 0.20 1 220 . 25 MET H H 8.914 0.02 1 221 . 25 MET CA C 52.617 0.40 1 222 . 25 MET HA H 4.520 0.02 1 223 . 25 MET CB C 32.245 0.40 1 224 . 25 MET HB2 H 1.379 0.02 2 225 . 25 MET HB3 H 1.940 0.02 2 226 . 25 MET CG C 29.796 0.40 1 227 . 25 MET HG2 H 2.028 0.02 2 228 . 25 MET HG3 H 2.157 0.02 2 229 . 25 MET C C 175.067 0.40 1 230 . 26 LEU N N 129.386 0.20 1 231 . 26 LEU H H 8.642 0.02 1 232 . 26 LEU CA C 55.596 0.40 1 233 . 26 LEU HA H 4.481 0.02 1 234 . 26 LEU CB C 41.166 0.40 1 235 . 26 LEU HB2 H 1.563 0.02 2 236 . 26 LEU HB3 H 1.969 0.02 2 237 . 26 LEU CG C 27.946 0.40 1 238 . 26 LEU HG H 1.728 0.02 1 239 . 26 LEU CD1 C 24.259 0.40 2 240 . 26 LEU HD1 H 0.783 0.02 2 241 . 26 LEU CD2 C 24.685 0.40 2 242 . 26 LEU HD2 H 0.717 0.02 2 243 . 26 LEU C C 176.739 0.40 1 244 . 27 ARG N N 123.840 0.20 1 245 . 27 ARG H H 8.745 0.02 1 246 . 27 ARG CA C 54.799 0.40 1 247 . 27 ARG HA H 4.757 0.02 1 248 . 27 ARG CB C 33.894 0.40 1 249 . 27 ARG HD2 H 3.638 0.02 2 250 . 27 ARG C C 175.356 0.40 1 251 . 28 HIS N N 121.707 0.20 1 252 . 28 HIS H H 8.489 0.02 1 253 . 28 HIS CA C 54.770 0.40 1 254 . 28 HIS HA H 5.320 0.02 1 255 . 28 HIS CB C 32.024 0.40 1 256 . 28 HIS HB2 H 2.559 0.02 2 257 . 28 HIS HB3 H 2.827 0.02 2 258 . 28 HIS C C 174.267 0.40 1 259 . 29 LYS N N 125.973 0.20 1 260 . 29 LYS H H 8.678 0.02 1 261 . 29 LYS CA C 56.065 0.40 1 262 . 29 LYS HA H 4.718 0.02 1 263 . 29 LYS CB C 33.989 0.40 1 264 . 29 LYS HB2 H 1.857 0.02 2 265 . 29 LYS HB3 H 1.824 0.02 2 266 . 29 LYS CG C 24.685 0.40 1 267 . 29 LYS HG2 H 1.440 0.02 2 268 . 29 LYS HG3 H 1.377 0.02 2 269 . 29 LYS HD2 H 1.618 0.02 2 270 . 29 LYS HD3 H 1.582 0.02 2 271 . 29 LYS CE C 42.099 0.40 1 272 . 29 LYS HE2 H 2.834 0.02 2 273 . 29 LYS HE3 H 2.890 0.02 2 274 . 29 LYS C C 176.358 0.40 1 275 . 30 ASN N N 129.431 0.20 1 276 . 30 ASN H H 9.667 0.02 1 277 . 30 ASN CA C 54.422 0.40 1 278 . 30 ASN HA H 4.430 0.02 1 279 . 30 ASN CB C 37.955 0.40 1 280 . 30 ASN HB2 H 2.767 0.02 2 281 . 30 ASN HB3 H 3.031 0.02 2 282 . 30 ASN C C 175.144 0.40 1 283 . 31 GLY N N 107.201 0.20 1 284 . 31 GLY H H 8.876 0.02 1 285 . 31 GLY CA C 45.534 0.40 1 286 . 31 GLY HA3 H 3.630 0.02 2 287 . 31 GLY HA2 H 4.121 0.02 2 288 . 31 GLY C C 173.901 0.40 1 289 . 32 LYS N N 123.840 0.20 1 290 . 32 LYS H H 7.832 0.02 1 291 . 32 LYS CA C 55.049 0.40 1 292 . 32 LYS HA H 4.617 0.02 1 293 . 32 LYS CB C 34.804 0.40 1 294 . 32 LYS HB2 H 1.615 0.02 2 295 . 32 LYS HB3 H 1.852 0.02 2 296 . 32 LYS CG C 25.207 0.40 1 297 . 32 LYS HG2 H 1.345 0.02 2 298 . 32 LYS HG3 H 1.428 0.02 2 299 . 32 LYS HE2 H 2.822 0.02 2 300 . 32 LYS HE3 H 2.908 0.02 2 301 . 32 LYS C C 175.446 0.40 1 302 . 33 LYS N N 125.973 0.20 1 303 . 33 LYS H H 8.414 0.02 1 304 . 33 LYS CA C 55.961 0.40 1 305 . 33 LYS HA H 4.972 0.02 1 306 . 33 LYS CB C 34.385 0.40 1 307 . 33 LYS HB2 H 1.683 0.02 2 308 . 33 LYS HB3 H 1.832 0.02 2 309 . 33 LYS HE2 H 2.998 0.02 2 310 . 33 LYS HE3 H 3.108 0.02 2 311 . 33 LYS C C 176.090 0.40 1 312 . 34 TYR N N 123.555 0.20 1 313 . 34 TYR H H 8.564 0.02 1 314 . 34 TYR CA C 56.845 0.40 1 315 . 34 TYR HA H 5.103 0.02 1 316 . 34 TYR CB C 39.351 0.40 1 317 . 34 TYR HB2 H 3.067 0.02 2 318 . 34 TYR HB3 H 3.137 0.02 2 319 . 34 TYR CD1 C 133.732 0.40 1 320 . 34 TYR HD1 H 6.817 0.02 1 321 . 34 TYR HD2 H 6.817 0.02 1 322 . 34 TYR C C 171.496 0.40 1 323 . 35 ALA N N 125.120 0.20 1 324 . 35 ALA H H 8.039 0.02 1 325 . 35 ALA CA C 49.806 0.40 1 326 . 35 ALA HA H 5.536 0.02 1 327 . 35 ALA CB C 23.725 0.40 1 328 . 35 ALA HB H 1.074 0.02 1 329 . 35 ALA C C 175.444 0.40 1 330 . 36 THR N N 111.041 0.20 1 331 . 36 THR H H 8.718 0.02 1 332 . 36 THR CA C 59.122 0.40 1 333 . 36 THR HA H 4.968 0.02 1 334 . 36 THR CB C 73.151 0.40 1 335 . 36 THR HB H 4.475 0.02 1 336 . 36 THR CG2 C 21.703 0.40 1 337 . 36 THR HG2 H 1.205 0.02 1 338 . 36 THR C C 174.071 0.40 1 339 . 37 LEU N N 125.781 0.20 1 340 . 37 LEU H H 9.068 0.02 1 341 . 37 LEU CA C 53.787 0.40 1 342 . 37 LEU HA H 4.619 0.02 1 343 . 37 LEU CB C 41.430 0.40 1 344 . 37 LEU HD1 H 0.886 0.02 2 345 . 37 LEU HD2 H 0.966 0.02 2 346 . 37 LEU C C 175.711 0.40 1 347 . 38 PRO CA C 63.322 0.40 1 348 . 38 PRO HA H 4.437 0.02 1 349 . 38 PRO CB C 32.065 0.40 1 350 . 38 PRO HB2 H 1.712 0.02 2 351 . 38 PRO HB3 H 2.066 0.02 2 352 . 38 PRO CG C 27.984 0.40 1 353 . 38 PRO C C 174.341 0.40 1 354 . 39 GLY N N 110.614 0.20 1 355 . 39 GLY H H 7.990 0.02 1 356 . 39 GLY CA C 45.817 0.40 1 357 . 39 GLY HA3 H 3.966 0.02 2 358 . 39 GLY HA2 H 4.458 0.02 2 359 . 39 GLY C C 172.389 0.40 1 360 . 40 GLY N N 107.623 0.20 1 361 . 40 GLY H H 8.509 0.02 1 362 . 40 GLY CA C 45.624 0.40 1 363 . 40 GLY HA3 H 3.976 0.02 2 364 . 40 GLY HA2 H 4.456 0.02 2 365 . 40 GLY C C 172.001 0.40 1 366 . 41 GLY N N 109.334 0.20 1 367 . 41 GLY H H 8.483 0.02 1 368 . 41 GLY CA C 45.716 0.40 1 369 . 41 GLY HA3 H 3.602 0.02 2 370 . 41 GLY HA2 H 4.145 0.02 2 371 . 41 GLY C C 172.095 0.40 1 372 . 42 ILE N N 124.266 0.20 1 373 . 42 ILE H H 7.597 0.02 1 374 . 42 ILE CA C 60.646 0.40 1 375 . 42 ILE HA H 3.895 0.02 1 376 . 42 ILE CB C 39.139 0.40 1 377 . 42 ILE HB H 1.462 0.02 1 378 . 42 ILE CG1 C 28.092 0.40 2 379 . 42 ILE HG12 H 1.466 0.02 2 380 . 42 ILE HG13 H 1.524 0.02 2 381 . 42 ILE CD1 C 14.462 0.40 1 382 . 42 ILE HD1 H 0.710 0.02 1 383 . 42 ILE CG2 C 17.443 0.40 2 384 . 42 ILE HG2 H 0.708 0.02 1 385 . 42 ILE C C 176.875 0.40 1 386 . 43 GLU N N 132.799 0.20 1 387 . 43 GLU H H 9.304 0.02 1 388 . 43 GLU CA C 55.656 0.40 1 389 . 43 GLU HA H 4.248 0.02 1 390 . 43 GLU CB C 30.553 0.40 1 391 . 43 GLU HB2 H 1.629 0.02 1 392 . 43 GLU HB3 H 1.629 0.02 1 393 . 43 GLU CG C 35.759 0.40 1 394 . 43 GLU HG2 H 2.103 0.02 2 395 . 43 GLU HG3 H 2.292 0.02 2 396 . 43 GLU C C 178.452 0.40 1 397 . 44 GLU N N 123.840 0.20 1 398 . 44 GLU H H 8.593 0.02 1 399 . 44 GLU CA C 58.625 0.40 1 400 . 44 GLU HA H 3.980 0.02 1 401 . 44 GLU CB C 29.247 0.40 1 402 . 44 GLU HB2 H 1.908 0.02 1 403 . 44 GLU HB3 H 1.908 0.02 1 404 . 44 GLU CG C 36.268 0.40 1 405 . 44 GLU HG2 H 2.225 0.02 1 406 . 44 GLU HG3 H 2.225 0.02 1 407 . 44 GLU C C 178.054 0.40 1 408 . 45 GLY N N 116.587 0.20 1 409 . 45 GLY H H 8.723 0.02 1 410 . 45 GLY CA C 45.371 0.40 1 411 . 45 GLY HA3 H 3.901 0.02 2 412 . 45 GLY HA2 H 4.162 0.02 2 413 . 45 GLY C C 173.985 0.40 1 414 . 46 GLU N N 122.986 0.20 1 415 . 46 GLU H H 7.937 0.02 1 416 . 46 GLU CA C 55.292 0.40 1 417 . 46 GLU HA H 4.569 0.02 1 418 . 46 GLU CB C 32.547 0.40 1 419 . 46 GLU HB2 H 2.111 0.02 2 420 . 46 GLU HB3 H 2.036 0.02 2 421 . 46 GLU CG C 37.160 0.40 1 422 . 46 GLU HG2 H 2.098 0.02 2 423 . 46 GLU HG3 H 2.241 0.02 2 424 . 46 GLU C C 176.628 0.40 1 425 . 47 THR N N 114.454 0.20 1 426 . 47 THR H H 8.301 0.02 1 427 . 47 THR CA C 59.084 0.40 1 428 . 47 THR HA H 4.633 0.02 1 429 . 47 THR CB C 69.070 0.40 1 430 . 47 THR HB H 4.259 0.02 1 431 . 47 THR CG2 C 23.833 0.40 1 432 . 47 THR HG2 H 1.281 0.02 1 433 . 47 THR C C 173.718 0.40 1 434 . 48 PRO CA C 66.289 0.40 1 435 . 48 PRO HA H 3.935 0.02 1 436 . 48 PRO CB C 32.130 0.40 1 437 . 48 PRO HB2 H 1.817 0.02 1 438 . 48 PRO HB3 H 1.817 0.02 1 439 . 48 PRO CG C 28.190 0.40 1 440 . 48 PRO C C 177.331 0.40 1 441 . 49 GLN N N 117.440 0.20 1 442 . 49 GLN H H 8.822 0.02 1 443 . 49 GLN CA C 60.024 0.40 1 444 . 49 GLN HA H 2.833 0.02 1 445 . 49 GLN CB C 27.002 0.40 1 446 . 49 GLN HB2 H 1.472 0.02 2 447 . 49 GLN HB3 H 1.740 0.02 2 448 . 49 GLN CG C 34.287 0.40 1 449 . 49 GLN HG2 H 2.167 0.02 2 450 . 49 GLN HG3 H 2.412 0.02 2 451 . 49 GLN C C 178.970 0.40 1 452 . 50 GLY N N 114.027 0.20 1 453 . 50 GLY H H 8.281 0.02 1 454 . 50 GLY CA C 46.639 0.40 1 455 . 50 GLY HA3 H 3.559 0.02 2 456 . 50 GLY HA2 H 3.824 0.02 2 457 . 50 GLY C C 176.923 0.40 1 458 . 51 ALA N N 128.106 0.20 1 459 . 51 ALA H H 8.381 0.02 1 460 . 51 ALA CA C 55.167 0.40 1 461 . 51 ALA HA H 4.004 0.02 1 462 . 51 ALA CB C 21.160 0.40 1 463 . 51 ALA HB H 1.433 0.02 1 464 . 51 ALA C C 178.586 0.40 1 465 . 52 CYS N N 119.155 0.20 1 466 . 52 CYS H H 7.907 0.02 1 467 . 52 CYS CA C 63.139 0.40 1 468 . 52 CYS HA H 3.574 0.02 1 469 . 52 CYS CB C 26.882 0.40 1 470 . 52 CYS HB2 H 2.579 0.02 2 471 . 52 CYS HB3 H 2.711 0.02 2 472 . 52 CYS C C 175.283 0.40 1 473 . 53 ALA N N 119.577 0.20 1 474 . 53 ALA H H 7.259 0.02 1 475 . 53 ALA CA C 55.315 0.40 1 476 . 53 ALA HA H 3.628 0.02 1 477 . 53 ALA CB C 18.006 0.40 1 478 . 53 ALA HB H 1.356 0.02 1 479 . 53 ALA C C 180.248 0.40 1 480 . 54 ARG N N 122.826 0.20 1 481 . 54 ARG H H 7.914 0.02 1 482 . 54 ARG CA C 59.683 0.40 1 483 . 54 ARG HA H 4.012 0.02 1 484 . 54 ARG CB C 29.215 0.40 1 485 . 54 ARG HB2 H 1.665 0.02 2 486 . 54 ARG HB3 H 1.885 0.02 2 487 . 54 ARG CG C 25.479 0.40 1 488 . 54 ARG CD C 41.722 0.40 1 489 . 54 ARG HD2 H 2.912 0.02 2 490 . 54 ARG HD3 H 3.303 0.02 2 491 . 54 ARG C C 178.167 0.40 1 492 . 55 GLU N N 121.451 0.20 1 493 . 55 GLU H H 8.694 0.02 1 494 . 55 GLU CA C 59.017 0.40 1 495 . 55 GLU HA H 3.898 0.02 1 496 . 55 GLU CB C 27.773 0.40 1 497 . 55 GLU HB2 H 1.892 0.02 1 498 . 55 GLU HB3 H 1.892 0.02 1 499 . 55 GLU CG C 34.535 0.40 1 500 . 55 GLU C C 178.661 0.40 1 501 . 56 VAL N N 120.464 0.20 1 502 . 56 VAL H H 7.890 0.02 1 503 . 56 VAL CA C 67.408 0.40 1 504 . 56 VAL HA H 3.277 0.02 1 505 . 56 VAL CB C 31.997 0.40 1 506 . 56 VAL HB H 1.915 0.02 1 507 . 56 VAL CG2 C 22.555 0.40 2 508 . 56 VAL HG2 H 0.754 0.02 2 509 . 56 VAL CG1 C 24.685 0.40 2 510 . 56 VAL HG1 H 0.826 0.02 2 511 . 56 VAL C C 177.955 0.40 1 512 . 57 LEU N N 124.266 0.20 1 513 . 57 LEU H H 7.546 0.02 1 514 . 57 LEU CA C 58.735 0.40 1 515 . 57 LEU HA H 4.088 0.02 1 516 . 57 LEU CB C 42.084 0.40 1 517 . 57 LEU HB2 H 1.557 0.02 2 518 . 57 LEU HB3 H 2.010 0.02 2 519 . 57 LEU CG C 26.814 0.40 1 520 . 57 LEU HG H 1.453 0.02 1 521 . 57 LEU CD1 C 22.829 0.40 1 522 . 57 LEU HD1 H 0.642 0.02 1 523 . 57 LEU CD2 C 25.536 0.40 1 524 . 57 LEU HD2 H 0.833 0.02 1 525 . 57 LEU C C 180.334 0.40 1 526 . 58 GLU N N 120.948 0.20 1 527 . 58 GLU H H 8.391 0.02 1 528 . 58 GLU CA C 59.418 0.40 1 529 . 58 GLU HA H 3.875 0.02 1 530 . 58 GLU CB C 30.268 0.40 1 531 . 58 GLU HB2 H 2.069 0.02 2 532 . 58 GLU HB3 H 1.911 0.02 2 533 . 58 GLU CG C 37.069 0.40 1 534 . 58 GLU HG2 H 2.180 0.02 2 535 . 58 GLU HG3 H 2.452 0.02 2 536 . 58 GLU C C 178.661 0.40 1 537 . 59 GLU N N 117.336 0.20 1 538 . 59 GLU H H 8.510 0.02 1 539 . 59 GLU CA C 59.158 0.40 1 540 . 59 GLU HA H 4.253 0.02 1 541 . 59 GLU CB C 30.947 0.40 1 542 . 59 GLU HB2 H 2.040 0.02 2 543 . 59 GLU HB3 H 1.912 0.02 2 544 . 59 GLU CG C 35.759 0.40 1 545 . 59 GLU HG2 H 2.211 0.02 2 546 . 59 GLU HG3 H 2.597 0.02 2 547 . 59 GLU C C 178.842 0.40 1 548 . 60 VAL N N 111.041 0.20 1 549 . 60 VAL H H 8.119 0.02 1 550 . 60 VAL CA C 60.363 0.40 1 551 . 60 VAL HA H 4.783 0.02 1 552 . 60 VAL CB C 33.617 0.40 1 553 . 60 VAL HB H 2.313 0.02 1 554 . 60 VAL CG2 C 20.851 0.40 2 555 . 60 VAL HG2 H 0.669 0.02 2 556 . 60 VAL CG1 C 22.981 0.40 2 557 . 60 VAL HG1 H 0.725 0.02 2 558 . 60 VAL C C 175.459 0.40 1 559 . 61 ASN N N 119.423 0.20 1 560 . 61 ASN H H 7.883 0.02 1 561 . 61 ASN CA C 55.129 0.40 1 562 . 61 ASN HA H 4.697 0.02 1 563 . 61 ASN CB C 39.475 0.40 1 564 . 61 ASN HB2 H 3.646 0.02 2 565 . 61 ASN HB3 H 2.398 0.02 2 566 . 61 ASN C C 174.058 0.40 1 567 . 62 LEU N N 116.160 0.20 1 568 . 62 LEU H H 6.432 0.02 1 569 . 62 LEU CA C 53.047 0.40 1 570 . 62 LEU HA H 4.786 0.02 1 571 . 62 LEU CB C 45.082 0.40 1 572 . 62 LEU HB2 H 1.001 0.02 2 573 . 62 LEU HB3 H 1.203 0.02 2 574 . 62 LEU HG H 1.477 0.02 1 575 . 62 LEU HD1 H 0.674 0.02 2 576 . 62 LEU C C 175.952 0.40 1 577 . 63 THR N N 122.955 0.20 1 578 . 63 THR H H 8.670 0.02 1 579 . 63 THR CA C 63.173 0.40 1 580 . 63 THR HA H 4.202 0.02 1 581 . 63 THR CB C 68.676 0.40 1 582 . 63 THR HB H 4.069 0.02 1 583 . 63 THR CG2 C 22.815 0.40 1 584 . 63 THR HG2 H 0.855 0.02 1 585 . 63 THR C C 174.474 0.40 1 586 . 64 VAL N N 120.410 0.20 1 587 . 64 VAL H H 8.071 0.02 1 588 . 64 VAL CA C 57.764 0.40 1 589 . 64 VAL HA H 5.232 0.02 1 590 . 64 VAL CB C 35.173 0.40 1 591 . 64 VAL HB H 1.855 0.02 1 592 . 64 VAL CG2 C 22.000 0.40 2 593 . 64 VAL HG2 H 0.649 0.02 2 594 . 64 VAL CG1 C 22.129 0.40 2 595 . 64 VAL HG1 H 0.719 0.02 2 596 . 64 VAL C C 174.199 0.40 1 597 . 65 GLN N N 123.840 0.20 1 598 . 65 GLN H H 8.984 0.02 1 599 . 65 GLN CA C 54.450 0.40 1 600 . 65 GLN HA H 4.476 0.02 1 601 . 65 GLN CB C 30.004 0.40 1 602 . 65 GLN HB2 H 1.822 0.02 2 603 . 65 GLN HB3 H 1.919 0.02 2 604 . 65 GLN CG C 33.884 0.40 1 605 . 65 GLN HG2 H 2.105 0.02 2 606 . 65 GLN HG3 H 2.220 0.02 2 607 . 65 GLN C C 176.116 0.40 1 608 . 66 VAL N N 133.481 0.20 1 609 . 66 VAL H H 9.042 0.02 1 610 . 66 VAL CA C 63.754 0.40 1 611 . 66 VAL HA H 4.100 0.02 1 612 . 66 VAL CB C 31.725 0.40 1 613 . 66 VAL HB H 1.766 0.02 1 614 . 66 VAL CG2 C 20.851 0.40 1 615 . 66 VAL HG2 H 0.876 0.02 1 616 . 66 VAL CG1 C 21.703 0.40 1 617 . 66 VAL HG1 H 0.514 0.02 1 618 . 66 VAL C C 175.714 0.40 1 619 . 67 GLY N N 123.325 0.20 1 620 . 67 GLY H H 8.776 0.02 1 621 . 67 GLY CA C 44.873 0.40 1 622 . 67 GLY HA3 H 4.481 0.02 2 623 . 67 GLY HA2 H 3.685 0.02 2 624 . 67 GLY C C 173.065 0.40 1 625 . 68 GLU N N 124.693 0.20 1 626 . 68 GLU H H 8.873 0.02 1 627 . 68 GLU CA C 56.816 0.40 1 628 . 68 GLU HA H 4.167 0.02 1 629 . 68 GLU CB C 30.697 0.40 1 630 . 68 GLU HB2 H 2.328 0.02 1 631 . 68 GLU HB3 H 2.328 0.02 1 632 . 68 GLU CG C 36.281 0.40 1 633 . 68 GLU C C 176.184 0.40 1 634 . 69 GLN N N 124.693 0.20 1 635 . 69 GLN H H 8.766 0.02 1 636 . 69 GLN CA C 55.899 0.40 1 637 . 69 GLN HA H 4.430 0.02 1 638 . 69 GLN CB C 30.477 0.40 1 639 . 69 GLN HB2 H 1.920 0.02 2 640 . 69 GLN HB3 H 1.990 0.02 2 641 . 69 GLN C C 175.898 0.40 1 642 . 70 VAL N N 124.266 0.20 1 643 . 70 VAL H H 8.659 0.02 1 644 . 70 VAL CA C 61.401 0.40 1 645 . 70 VAL HA H 4.361 0.02 1 646 . 70 VAL CB C 32.902 0.40 1 647 . 70 VAL HB H 2.146 0.02 1 648 . 70 VAL CG2 C 21.539 0.40 1 649 . 70 VAL HG2 H 0.680 0.02 1 650 . 70 VAL CG1 C 22.399 0.40 1 651 . 70 VAL HG1 H 0.933 0.02 1 652 . 71 LEU N N 122.560 0.20 1 653 . 71 LEU H H 7.258 0.02 1 654 . 71 LEU CA C 55.653 0.40 1 655 . 71 LEU HA H 4.357 0.02 1 656 . 71 LEU CB C 45.224 0.40 1 657 . 71 LEU HB2 H 1.106 0.02 2 658 . 71 LEU HB3 H 1.445 0.02 2 659 . 71 LEU CG C 27.240 0.40 1 660 . 71 LEU HG H 1.124 0.02 1 661 . 71 LEU CD1 C 25.962 0.40 1 662 . 71 LEU HD1 H 0.232 0.02 1 663 . 71 LEU CD2 C 23.407 0.40 1 664 . 71 LEU HD2 H 0.815 0.02 1 665 . 71 LEU C C 173.598 0.40 1 666 . 72 GLU N N 126.826 0.20 1 667 . 72 GLU H H 7.933 0.02 1 668 . 72 GLU CA C 55.383 0.40 1 669 . 72 GLU HA H 5.138 0.02 1 670 . 72 GLU CB C 33.049 0.40 1 671 . 72 GLU HB2 H 1.779 0.02 2 672 . 72 GLU HB3 H 1.645 0.02 2 673 . 72 GLU CG C 36.428 0.40 1 674 . 72 GLU C C 174.374 0.40 1 675 . 73 LEU N N 125.542 0.20 1 676 . 73 LEU H H 8.516 0.02 1 677 . 73 LEU CA C 53.959 0.40 1 678 . 73 LEU HA H 4.541 0.02 1 679 . 73 LEU CB C 46.910 0.40 1 680 . 73 LEU HB2 H 1.367 0.02 2 681 . 73 LEU HB3 H 1.630 0.02 2 682 . 73 LEU CG C 26.706 0.40 1 683 . 73 LEU HG H 1.290 0.02 1 684 . 73 LEU HD1 H 0.745 0.02 2 685 . 73 LEU C C 175.049 0.40 1 686 . 74 ASP N N 125.973 0.20 1 687 . 74 ASP H H 8.601 0.02 1 688 . 74 ASP CA C 54.143 0.40 1 689 . 74 ASP HA H 5.001 0.02 1 690 . 74 ASP CB C 41.320 0.40 1 691 . 74 ASP HB2 H 2.352 0.02 2 692 . 74 ASP HB3 H 2.511 0.02 2 693 . 74 ASP C C 174.288 0.40 1 694 . 75 ASN N N 125.973 0.20 1 695 . 75 ASN H H 8.975 0.02 1 696 . 75 ASN CA C 52.050 0.40 1 697 . 75 ASN HA H 4.654 0.02 1 698 . 75 ASN CB C 38.898 0.40 1 699 . 75 ASN HB2 H 2.488 0.02 2 700 . 75 ASN HB3 H 3.014 0.02 2 701 . 75 ASN C C 174.909 0.40 1 702 . 76 LEU N N 125.973 0.20 1 703 . 76 LEU H H 8.412 0.02 1 704 . 76 LEU CA C 55.016 0.40 1 705 . 76 LEU HA H 4.197 0.02 1 706 . 76 LEU CB C 41.893 0.40 1 707 . 76 LEU HB2 H 1.373 0.02 2 708 . 76 LEU HB3 H 1.472 0.02 2 709 . 76 LEU HD1 H 0.818 0.02 2 710 . 76 LEU HD2 H 0.724 0.02 2 711 . 76 LEU C C 177.174 0.40 1 712 . 77 HIS N N 120.770 0.20 1 713 . 77 HIS H H 7.993 0.02 1 714 . 77 HIS CA C 56.496 0.40 1 715 . 77 HIS HA H 4.540 0.02 1 716 . 77 HIS CB C 30.991 0.40 1 717 . 77 HIS HB2 H 3.045 0.02 2 718 . 77 HIS HB3 H 3.140 0.02 2 719 . 77 HIS C C 175.490 0.40 1 720 . 78 GLY N N 111.894 0.20 1 721 . 78 GLY H H 8.066 0.02 1 722 . 78 GLY CA C 44.710 0.40 1 723 . 78 GLY HA2 H 3.804 0.02 1 724 . 78 GLY HA3 H 3.804 0.02 1 725 . 78 GLY C C 173.378 0.40 1 726 . 79 ALA N N 124.266 0.20 1 727 . 79 ALA H H 8.300 0.02 1 728 . 79 ALA CA C 53.720 0.40 1 729 . 79 ALA HA H 4.052 0.02 1 730 . 79 ALA CB C 19.294 0.40 1 731 . 79 ALA HB H 1.290 0.02 1 732 . 79 ALA C C 177.756 0.40 1 733 . 80 ASN N N 117.014 0.20 1 734 . 80 ASN H H 8.133 0.02 1 735 . 80 ASN CA C 50.765 0.40 1 736 . 80 ASN HA H 5.021 0.02 1 737 . 80 ASN CB C 40.052 0.40 1 738 . 80 ASN HB2 H 2.490 0.02 2 739 . 80 ASN HB3 H 2.554 0.02 2 740 . 80 ASN C C 171.790 0.40 1 741 . 81 PRO CA C 63.881 0.40 1 742 . 81 PRO HA H 4.479 0.02 1 743 . 81 PRO CB C 33.109 0.40 1 744 . 81 PRO HB2 H 2.125 0.02 2 745 . 81 PRO HB3 H 1.861 0.02 2 746 . 81 PRO CG C 27.624 0.40 1 747 . 81 PRO HG2 H 1.839 0.02 2 748 . 81 PRO HG3 H 1.950 0.02 2 749 . 81 PRO CD C 50.241 0.40 1 750 . 81 PRO HD2 H 3.540 0.02 2 751 . 81 PRO HD3 H 3.579 0.02 2 752 . 81 PRO C C 176.321 0.40 1 753 . 82 SER N N 117.706 0.20 1 754 . 82 SER H H 8.406 0.02 1 755 . 82 SER CA C 57.593 0.40 1 756 . 82 SER HA H 5.035 0.02 1 757 . 82 SER CB C 67.024 0.40 1 758 . 82 SER HB2 H 3.673 0.02 2 759 . 82 SER HB3 H 3.731 0.02 2 760 . 82 SER C C 172.338 0.40 1 761 . 83 HIS N N 125.120 0.20 1 762 . 83 HIS H H 8.585 0.02 1 763 . 83 HIS CA C 55.349 0.40 1 764 . 83 HIS HA H 5.156 0.02 1 765 . 83 HIS CB C 30.264 0.40 1 766 . 83 HIS HB2 H 2.809 0.02 2 767 . 83 HIS HB3 H 3.050 0.02 2 768 . 83 HIS C C 173.196 0.40 1 769 . 84 GLU N N 127.679 0.20 1 770 . 84 GLU H H 8.691 0.02 1 771 . 84 GLU CA C 55.214 0.40 1 772 . 84 GLU HA H 4.819 0.02 1 773 . 84 GLU CB C 34.062 0.40 1 774 . 84 GLU HB2 H 1.289 0.02 1 775 . 84 GLU HB3 H 1.289 0.02 1 776 . 84 GLU CG C 37.616 0.40 1 777 . 84 GLU HG2 H 1.701 0.02 2 778 . 84 GLU HG3 H 2.190 0.02 2 779 . 84 GLU C C 174.461 0.40 1 780 . 85 HIS N N 123.982 0.20 1 781 . 85 HIS H H 8.548 0.02 1 782 . 85 HIS CA C 56.810 0.40 1 783 . 85 HIS HA H 4.418 0.02 1 784 . 85 HIS CB C 30.716 0.40 1 785 . 85 HIS HB2 H 2.869 0.02 2 786 . 85 HIS HB3 H 3.021 0.02 2 787 . 85 HIS C C 173.121 0.40 1 788 . 86 TYR N N 123.325 0.20 1 789 . 86 TYR H H 8.631 0.02 1 790 . 86 TYR CA C 56.804 0.40 1 791 . 86 TYR HA H 4.927 0.02 1 792 . 86 TYR CB C 40.449 0.40 1 793 . 86 TYR HB2 H 2.184 0.02 2 794 . 86 TYR HB3 H 2.904 0.02 2 795 . 86 TYR CE1 C 119.656 0.40 1 796 . 86 TYR HE1 H 6.806 0.02 1 797 . 86 TYR HE2 H 6.806 0.02 1 798 . 86 TYR CD1 C 131.783 0.40 1 799 . 86 TYR HD1 H 6.519 0.02 1 800 . 86 TYR HD2 H 6.519 0.02 1 801 . 86 TYR C C 175.096 0.40 1 802 . 87 PHE N N 122.685 0.20 1 803 . 87 PHE H H 9.135 0.02 1 804 . 87 PHE CA C 57.050 0.40 1 805 . 87 PHE HA H 5.349 0.02 1 806 . 87 PHE CB C 43.400 0.40 1 807 . 87 PHE HB2 H 2.824 0.02 2 808 . 87 PHE HB3 H 2.793 0.02 2 809 . 87 PHE CD1 C 132.516 0.40 1 810 . 87 PHE HD1 H 7.184 0.02 1 811 . 87 PHE HD2 H 7.184 0.02 1 812 . 87 PHE C C 176.028 0.40 1 813 . 88 ARG N N 126.826 0.20 1 814 . 88 ARG H H 8.738 0.02 1 815 . 88 ARG CA C 56.376 0.40 1 816 . 88 ARG HA H 4.959 0.02 1 817 . 88 ARG CB C 30.886 0.40 1 818 . 88 ARG HB2 H 1.892 0.02 2 819 . 88 ARG HG3 H 1.593 0.02 2 820 . 88 ARG CD C 42.573 0.40 1 821 . 88 ARG HD2 H 3.405 0.02 2 822 . 88 ARG HD3 H 3.588 0.02 2 823 . 88 ARG C C 176.003 0.40 1 824 . 89 CYS N N 125.546 0.20 1 825 . 89 CYS H H 8.959 0.02 1 826 . 89 CYS CA C 57.957 0.40 1 827 . 89 CYS HA H 5.402 0.02 1 828 . 89 CYS CB C 32.706 0.40 1 829 . 89 CYS HB2 H 2.324 0.02 2 830 . 89 CYS HB3 H 2.739 0.02 2 831 . 89 CYS C C 172.790 0.40 1 832 . 90 ARG N N 123.501 0.20 1 833 . 90 ARG H H 8.339 0.02 1 834 . 90 ARG CA C 54.435 0.40 1 835 . 90 ARG HA H 4.926 0.02 1 836 . 90 ARG CB C 34.114 0.40 1 837 . 90 ARG HB2 H 1.722 0.02 2 838 . 90 ARG HB3 H 1.835 0.02 2 839 . 90 ARG CG C 28.155 0.40 1 840 . 90 ARG HG2 H 1.635 0.02 2 841 . 90 ARG HG3 H 1.587 0.02 2 842 . 90 ARG HD2 H 3.199 0.02 1 843 . 90 ARG HD3 H 3.199 0.02 1 844 . 90 ARG C C 175.560 0.40 1 845 . 91 VAL N N 127.679 0.20 1 846 . 91 VAL H H 9.236 0.02 1 847 . 91 VAL CA C 65.144 0.40 1 848 . 91 VAL HA H 3.741 0.02 1 849 . 91 VAL CB C 32.815 0.40 1 850 . 91 VAL HB H 2.077 0.02 1 851 . 91 VAL CG2 C 22.129 0.40 2 852 . 91 VAL HG2 H 0.904 0.02 2 853 . 91 VAL CG1 C 23.407 0.40 2 854 . 91 VAL HG1 H 1.049 0.02 2 855 . 91 VAL C C 176.018 0.40 1 856 . 92 VAL N N 128.959 0.20 1 857 . 92 VAL H H 8.972 0.02 1 858 . 92 VAL CA C 63.475 0.40 1 859 . 92 VAL HA H 4.153 0.02 1 860 . 92 VAL CB C 33.748 0.40 1 861 . 92 VAL HB H 1.809 0.02 1 862 . 92 VAL CG2 C 20.851 0.40 1 863 . 92 VAL HG2 H 0.816 0.02 1 864 . 92 VAL CG1 C 22.555 0.40 1 865 . 92 VAL HG1 H 0.849 0.02 1 866 . 92 VAL C C 175.832 0.40 1 867 . 93 SER N N 115.307 0.20 1 868 . 93 SER H H 7.886 0.02 1 869 . 93 SER CA C 58.332 0.40 1 870 . 93 SER HA H 4.546 0.02 1 871 . 93 SER CB C 64.777 0.40 1 872 . 93 SER HB2 H 3.813 0.02 2 873 . 93 SER HB3 H 3.874 0.02 2 874 . 93 SER C C 172.387 0.40 1 875 . 94 GLY N N 110.614 0.20 1 876 . 94 GLY H H 8.263 0.02 1 877 . 94 GLY CA C 44.450 0.40 1 878 . 94 GLY HA3 H 4.738 0.02 2 879 . 94 GLY HA2 H 3.753 0.02 2 880 . 94 GLY C C 172.781 0.40 1 881 . 95 GLU N N 122.656 0.20 1 882 . 95 GLU H H 7.754 0.02 1 883 . 95 GLU CA C 54.879 0.40 1 884 . 95 GLU HA H 4.423 0.02 1 885 . 95 GLU CB C 31.639 0.40 1 886 . 95 GLU HB2 H 1.830 0.02 2 887 . 95 GLU HB3 H 1.918 0.02 2 888 . 95 GLU CG C 36.218 0.40 1 889 . 95 GLU HG2 H 1.918 0.02 2 890 . 95 GLU HG3 H 2.169 0.02 2 891 . 95 GLU C C 174.846 0.40 1 892 . 96 MET N N 127.679 0.20 1 893 . 96 MET H H 8.534 0.02 1 894 . 96 MET CA C 57.182 0.40 1 895 . 96 MET HA H 4.347 0.02 1 896 . 96 MET CB C 33.081 0.40 1 897 . 96 MET HB2 H 1.962 0.02 2 898 . 96 MET HB3 H 2.165 0.02 2 899 . 96 MET CG C 32.352 0.40 1 900 . 96 MET HG2 H 2.354 0.02 2 901 . 96 MET HG3 H 2.401 0.02 2 902 . 96 MET C C 176.264 0.40 1 903 . 97 ARG N N 127.253 0.20 1 904 . 97 ARG H H 8.043 0.02 1 905 . 97 ARG CA C 56.187 0.40 1 906 . 97 ARG HA H 4.231 0.02 1 907 . 97 ARG CB C 31.144 0.40 1 908 . 97 ARG HB2 H 1.617 0.02 2 909 . 97 ARG HB3 H 1.890 0.02 2 910 . 97 ARG CG C 26.938 0.40 1 911 . 97 ARG HG2 H 1.547 0.02 1 912 . 97 ARG HG3 H 1.547 0.02 1 913 . 97 ARG CD C 43.852 0.40 1 914 . 97 ARG HD2 H 3.073 0.02 2 915 . 97 ARG HD3 H 3.148 0.02 2 916 . 97 ARG C C 174.516 0.40 1 917 . 98 LEU N N 125.120 0.20 1 918 . 98 LEU H H 8.299 0.02 1 919 . 98 LEU CA C 55.324 0.40 1 920 . 98 LEU HA H 4.324 0.02 1 921 . 98 LEU CB C 42.854 0.40 1 922 . 98 LEU HB2 H 1.564 0.02 1 923 . 98 LEU HB3 H 1.564 0.02 1 924 . 98 LEU CG C 27.098 0.40 1 925 . 98 LEU CD1 C 24.688 0.40 2 926 . 98 LEU HD1 H 0.860 0.02 2 927 . 98 LEU CD2 C 23.407 0.40 2 928 . 98 LEU HD2 H 0.798 0.02 2 929 . 98 LEU C C 178.037 0.40 1 930 . 99 GLY N N 112.885 0.20 1 931 . 99 GLY H H 8.176 0.02 1 932 . 99 GLY CA C 45.218 0.40 1 933 . 99 GLY HA2 H 3.872 0.02 1 934 . 99 GLY HA3 H 3.872 0.02 1 935 . 99 GLY C C 173.446 0.40 1 936 . 100 ASP N N 122.541 0.20 1 937 . 100 ASP H H 8.356 0.02 1 938 . 100 ASP CA C 54.631 0.40 1 939 . 100 ASP HA H 4.614 0.02 1 940 . 100 ASP CB C 41.810 0.40 1 941 . 100 ASP HB2 H 2.565 0.02 2 942 . 100 ASP HB3 H 2.677 0.02 2 943 . 100 ASP C C 176.605 0.40 1 944 . 101 GLY N N 110.614 0.20 1 945 . 101 GLY H H 8.254 0.02 1 946 . 101 GLY CA C 45.068 0.40 1 947 . 101 GLY HA3 H 3.998 0.02 2 948 . 101 GLY HA2 H 4.706 0.02 2 949 . 102 PRO CA C 63.884 0.40 1 950 . 102 PRO HA H 4.281 0.02 1 951 . 102 PRO CB C 32.391 0.40 1 952 . 102 PRO HB2 H 1.824 0.02 2 953 . 102 PRO HB3 H 2.164 0.02 2 954 . 102 PRO CG C 27.655 0.40 1 955 . 102 PRO HG2 H 1.907 0.02 1 956 . 102 PRO HG3 H 1.907 0.02 1 957 . 102 PRO HD2 H 3.623 0.02 2 958 . 102 PRO HD3 H 3.792 0.02 2 959 . 102 PRO C C 177.578 0.40 1 960 . 103 GLU N N 121.705 0.20 1 961 . 103 GLU H H 8.481 0.02 1 962 . 103 GLU CA C 57.396 0.40 1 963 . 103 GLU HA H 4.108 0.02 1 964 . 103 GLU CB C 29.736 0.40 1 965 . 103 GLU HB2 H 1.926 0.02 2 966 . 103 GLU HB3 H 2.040 0.02 2 967 . 103 GLU CG C 36.529 0.40 1 968 . 103 GLU HG2 H 2.234 0.02 2 969 . 103 GLU HG3 H 2.126 0.02 2 970 . 103 GLU C C 177.106 0.40 1 971 . 104 GLY N N 110.765 0.20 1 972 . 104 GLY H H 8.069 0.02 1 973 . 104 GLY CA C 45.672 0.40 1 974 . 104 GLY HA3 H 3.824 0.02 2 975 . 104 GLY HA2 H 3.915 0.02 2 976 . 104 GLY C C 174.139 0.40 1 977 . 105 ILE N N 122.986 0.20 1 978 . 105 ILE H H 7.860 0.02 1 979 . 105 ILE CA C 61.224 0.40 1 980 . 105 ILE HA H 4.041 0.02 1 981 . 105 ILE CB C 38.853 0.40 1 982 . 105 ILE HB H 1.660 0.02 1 983 . 105 ILE HG12 H 0.722 0.02 2 984 . 105 ILE HG13 H 0.769 0.02 2 985 . 105 ILE HD1 H 1.051 0.02 1 986 . 105 ILE CG2 C 19.147 0.40 2 987 . 105 ILE HG2 H 1.344 0.02 1 988 . 105 ILE C C 176.002 0.40 1 989 . 106 ARG N N 127.526 0.20 1 990 . 106 ARG H H 8.304 0.02 1 991 . 106 ARG CA C 56.217 0.40 1 992 . 106 ARG HA H 4.237 0.02 1 993 . 106 ARG CB C 30.388 0.40 1 994 . 106 ARG HB2 H 1.697 0.02 1 995 . 106 ARG HB3 H 1.697 0.02 1 996 . 106 ARG HG2 H 1.396 0.02 2 997 . 106 ARG HG3 H 1.493 0.02 2 998 . 106 ARG CD C 43.426 0.40 1 999 . 106 ARG HD2 H 2.983 0.02 2 1000 . 106 ARG HD3 H 3.128 0.02 2 1001 . 106 ARG C C 176.214 0.40 1 1002 . 107 GLN N N 125.120 0.20 1 1003 . 107 GLN H H 8.335 0.02 1 1004 . 107 GLN CA C 56.617 0.40 1 1005 . 107 GLN HA H 4.218 0.02 1 1006 . 107 GLN CB C 29.836 0.40 1 1007 . 107 GLN HB2 H 1.849 0.02 2 1008 . 107 GLN HB3 H 2.022 0.02 2 1009 . 107 GLN CG C 33.629 0.40 1 1010 . 107 GLN HG2 H 2.202 0.02 1 1011 . 107 GLN HG3 H 2.202 0.02 1 1012 . 107 GLN C C 175.910 0.40 1 1013 . 108 SER N N 117.278 0.20 1 1014 . 108 SER H H 8.182 0.02 1 1015 . 108 SER CA C 58.127 0.40 1 1016 . 108 SER HA H 4.428 0.02 1 1017 . 108 SER CB C 64.911 0.40 1 1018 . 108 SER HB2 H 3.836 0.02 2 1019 . 108 SER HB3 H 3.977 0.02 2 1020 . 108 SER C C 174.775 0.40 1 1021 . 109 GLU N N 123.840 0.20 1 1022 . 109 GLU H H 8.586 0.02 1 1023 . 109 GLU CA C 58.333 0.40 1 1024 . 109 GLU HA H 4.123 0.02 1 1025 . 109 GLU CB C 29.918 0.40 1 1026 . 109 GLU HB2 H 2.006 0.02 1 1027 . 109 GLU HB3 H 2.006 0.02 1 1028 . 109 GLU CG C 36.714 0.40 1 1029 . 109 GLU C C 176.859 0.40 1 1030 . 110 ASP N N 120.406 0.20 1 1031 . 110 ASP H H 8.300 0.02 1 1032 . 110 ASP CA C 55.027 0.40 1 1033 . 110 ASP HA H 4.629 0.02 1 1034 . 110 ASP CB C 41.501 0.40 1 1035 . 110 ASP HB2 H 2.666 0.02 2 1036 . 110 ASP HB3 H 2.576 0.02 2 1037 . 110 ASP C C 175.840 0.40 1 1038 . 111 ASN N N 120.270 0.20 1 1039 . 111 ASN H H 7.895 0.02 1 1040 . 111 ASN CA C 53.101 0.40 1 1041 . 111 ASN HA H 5.039 0.02 1 1042 . 111 ASN CB C 39.421 0.40 1 1043 . 111 ASN HB2 H 2.709 0.02 2 1044 . 111 ASN HB3 H 2.874 0.02 2 1045 . 111 ASN C C 173.630 0.40 1 1046 . 112 TRP N N 124.693 0.20 1 1047 . 112 TRP H H 8.223 0.02 1 1048 . 112 TRP CA C 57.610 0.40 1 1049 . 112 TRP HA H 4.854 0.02 1 1050 . 112 TRP HB2 H 3.180 0.02 2 1051 . 112 TRP HB3 H 3.214 0.02 2 1052 . 112 TRP CD1 C 127.380 0.40 1 1053 . 112 TRP HD1 H 7.076 0.02 1 1054 . 112 TRP NE1 N 132.217 0.20 1 1055 . 112 TRP HE1 H 9.996 0.02 1 1056 . 112 TRP CZ2 C 114.431 0.40 1 1057 . 112 TRP HZ2 H 7.238 0.02 1 1058 . 112 TRP CH2 C 121.704 0.40 1 1059 . 112 TRP HH2 H 6.754 0.02 1 1060 . 113 TYR N N 124.390 0.20 1 1061 . 113 TYR H H 7.704 0.02 1 1062 . 113 TYR CA C 56.352 0.40 1 1063 . 113 TYR HA H 5.065 0.02 1 1064 . 113 TYR CB C 41.427 0.40 1 1065 . 113 TYR HB2 H 2.852 0.02 2 1066 . 113 TYR HB3 H 2.417 0.02 2 1067 . 113 TYR CD1 C 133.291 0.40 1 1068 . 113 TYR HD1 H 6.697 0.02 1 1069 . 113 TYR HD2 H 6.697 0.02 1 1070 . 114 GLN N N 121.812 0.20 1 1071 . 114 GLN H H 8.399 0.02 1 1072 . 114 GLN CA C 52.456 0.40 1 1073 . 114 GLN HA H 4.883 0.02 1 1074 . 115 PRO CA C 61.762 0.40 1 1075 . 115 PRO HA H 5.347 0.02 1 1076 . 115 PRO CB C 32.915 0.40 1 1077 . 115 PRO HB2 H 1.832 0.02 2 1078 . 115 PRO HB3 H 1.967 0.02 2 1079 . 115 PRO CG C 27.681 0.40 1 1080 . 115 PRO HG2 H 2.133 0.02 2 1081 . 115 PRO HG3 H 2.268 0.02 2 1082 . 115 PRO HD2 H 3.580 0.02 2 1083 . 115 PRO HD3 H 3.726 0.02 2 1084 . 115 PRO C C 176.263 0.40 1 1085 . 116 GLU N N 124.703 0.20 1 1086 . 116 GLU H H 9.087 0.02 1 1087 . 116 GLU CA C 56.128 0.40 1 1088 . 116 GLU HA H 4.273 0.02 1 1089 . 116 GLU CB C 35.301 0.40 1 1090 . 116 GLU HB2 H 1.636 0.02 2 1091 . 116 GLU HB3 H 1.732 0.02 2 1092 . 116 GLU CG C 37.172 0.40 1 1093 . 116 GLU HG2 H 2.050 0.02 2 1094 . 116 GLU HG3 H 2.189 0.02 2 1095 . 116 GLU C C 174.229 0.40 1 1096 . 117 TRP N N 127.679 0.20 1 1097 . 117 TRP H H 8.497 0.02 1 1098 . 117 TRP CA C 55.967 0.40 1 1099 . 117 TRP HA H 4.730 0.02 1 1100 . 117 TRP CB C 28.749 0.40 1 1101 . 117 TRP HB2 H 2.565 0.02 2 1102 . 117 TRP HB3 H 2.905 0.02 2 1103 . 117 TRP CD1 C 127.828 0.40 1 1104 . 117 TRP HD1 H 7.189 0.02 1 1105 . 117 TRP NE1 N 130.691 0.20 1 1106 . 117 TRP HE1 H 9.966 0.02 1 1107 . 117 TRP CZ2 C 114.345 0.40 1 1108 . 117 TRP HZ2 H 7.281 0.02 1 1109 . 117 TRP CH2 C 123.080 0.40 1 1110 . 117 TRP HH2 H 6.703 0.02 1 1111 . 117 TRP CZ3 C 117.999 0.40 1 1112 . 117 TRP HZ3 H 6.609 0.02 1 1113 . 117 TRP C C 176.364 0.40 1 1114 . 118 VAL N N 131.270 0.20 1 1115 . 118 VAL H H 9.497 0.02 1 1116 . 118 VAL CA C 62.212 0.40 1 1117 . 118 VAL HA H 4.154 0.02 1 1118 . 118 VAL CB C 34.960 0.40 1 1119 . 118 VAL HB H 1.797 0.02 1 1120 . 118 VAL HG2 H 0.878 0.02 2 1121 . 118 VAL CG1 C 21.703 0.40 2 1122 . 118 VAL HG1 H 0.948 0.02 2 1123 . 118 VAL C C 174.916 0.40 1 1124 . 119 ALA N N 131.946 0.20 1 1125 . 119 ALA H H 8.693 0.02 1 1126 . 119 ALA CA C 52.538 0.40 1 1127 . 119 ALA HA H 4.425 0.02 1 1128 . 119 ALA CB C 19.426 0.40 1 1129 . 119 ALA HB H 1.429 0.02 1 1130 . 119 ALA C C 178.951 0.40 1 1131 . 120 LEU N N 122.560 0.20 1 1132 . 120 LEU H H 8.689 0.02 1 1133 . 120 LEU CA C 57.992 0.40 1 1134 . 120 LEU HA H 3.862 0.02 1 1135 . 120 LEU CB C 41.109 0.40 1 1136 . 120 LEU HB2 H 1.627 0.02 2 1137 . 120 LEU HB3 H 1.859 0.02 2 1138 . 120 LEU CG C 28.092 0.40 1 1139 . 120 LEU HG H 2.007 0.02 1 1140 . 120 LEU CD1 C 25.536 0.40 2 1141 . 120 LEU HD1 H 1.088 0.02 2 1142 . 120 LEU CD2 C 24.259 0.40 2 1143 . 120 LEU HD2 H 1.014 0.02 2 1144 . 120 LEU C C 177.934 0.40 1 1145 . 121 ASN N N 116.587 0.20 1 1146 . 121 ASN H H 8.251 0.02 1 1147 . 121 ASN CA C 53.935 0.40 1 1148 . 121 ASN HA H 4.671 0.02 1 1149 . 121 ASN CB C 37.342 0.40 1 1150 . 121 ASN HB2 H 2.709 0.02 2 1151 . 121 ASN HB3 H 3.089 0.02 2 1152 . 121 ASN C C 176.400 0.40 1 1153 . 122 ARG N N 120.153 0.20 1 1154 . 122 ARG H H 7.962 0.02 1 1155 . 122 ARG CA C 56.702 0.40 1 1156 . 122 ARG HA H 4.724 0.02 1 1157 . 122 ARG CB C 31.113 0.40 1 1158 . 122 ARG HB2 H 1.664 0.02 2 1159 . 122 ARG HB3 H 2.266 0.02 2 1160 . 122 ARG CG C 28.062 0.40 1 1161 . 122 ARG HG2 H 1.508 0.02 2 1162 . 122 ARG HG3 H 1.737 0.02 2 1163 . 122 ARG CD C 43.852 0.40 1 1164 . 122 ARG HD2 H 3.144 0.02 2 1165 . 122 ARG HD3 H 3.346 0.02 2 1166 . 122 ARG C C 176.540 0.40 1 1167 . 123 LEU N N 116.716 0.20 1 1168 . 123 LEU H H 6.946 0.02 1 1169 . 123 LEU CA C 58.459 0.40 1 1170 . 123 LEU HA H 3.736 0.02 1 1171 . 123 LEU CB C 40.782 0.40 1 1172 . 123 LEU HB2 H 1.127 0.02 2 1173 . 123 LEU HB3 H 1.768 0.02 2 1174 . 123 LEU CG C 25.536 0.40 1 1175 . 123 LEU HG H 2.267 0.02 1 1176 . 123 LEU HD1 H 0.907 0.02 2 1177 . 123 LEU HD2 H 0.684 0.02 2 1178 . 123 LEU C C 177.555 0.40 1 1179 . 124 GLU N N 118.613 0.20 1 1180 . 124 GLU H H 8.345 0.02 1 1181 . 124 GLU CA C 60.452 0.40 1 1182 . 124 GLU HA H 3.936 0.02 1 1183 . 124 GLU CB C 28.000 0.40 1 1184 . 124 GLU HB2 H 1.894 0.02 2 1185 . 124 GLU HB3 H 2.195 0.02 2 1186 . 124 GLU CG C 37.671 0.40 1 1187 . 124 GLU HG2 H 2.162 0.02 2 1188 . 124 GLU HG3 H 2.481 0.02 2 1189 . 124 GLU C C 179.186 0.40 1 1190 . 125 GLU N N 125.546 0.20 1 1191 . 125 GLU H H 7.915 0.02 1 1192 . 125 GLU CA C 59.496 0.40 1 1193 . 125 GLU HA H 3.940 0.02 1 1194 . 125 GLU CB C 29.731 0.40 1 1195 . 125 GLU HB2 H 2.039 0.02 2 1196 . 125 GLU HB3 H 2.120 0.02 2 1197 . 125 GLU CG C 36.261 0.40 1 1198 . 125 GLU HG2 H 2.114 0.02 2 1199 . 125 GLU HG3 H 2.336 0.02 2 1200 . 125 GLU C C 178.658 0.40 1 1201 . 126 VAL N N 110.753 0.20 1 1202 . 126 VAL H H 7.725 0.02 1 1203 . 126 VAL CA C 61.236 0.40 1 1204 . 126 VAL HA H 4.093 0.02 1 1205 . 126 VAL CB C 31.677 0.40 1 1206 . 126 VAL HB H 2.260 0.02 1 1207 . 126 VAL CG2 C 18.721 0.40 1 1208 . 126 VAL HG2 H 0.733 0.02 1 1209 . 126 VAL CG1 C 21.277 0.40 1 1210 . 126 VAL HG1 H 0.864 0.02 1 1211 . 126 VAL C C 174.688 0.40 1 1212 . 127 ASN N N 118.485 0.20 1 1213 . 127 ASN H H 7.417 0.02 1 1214 . 127 ASN CA C 53.504 0.40 1 1215 . 127 ASN HA H 4.176 0.02 1 1216 . 127 ASN CB C 36.806 0.40 1 1217 . 127 ASN HB2 H 2.323 0.02 2 1218 . 127 ASN HB3 H 3.458 0.02 2 1219 . 127 ASN C C 173.828 0.40 1 1220 . 128 LEU N N 121.814 0.20 1 1221 . 128 LEU H H 7.366 0.02 1 1222 . 128 LEU CA C 56.008 0.40 1 1223 . 128 LEU HA H 4.585 0.02 1 1224 . 128 LEU CB C 42.334 0.40 1 1225 . 128 LEU HB2 H 1.089 0.02 2 1226 . 128 LEU HB3 H 1.417 0.02 2 1227 . 128 LEU HG H 1.226 0.02 1 1228 . 128 LEU CD1 C 22.981 0.40 2 1229 . 128 LEU HD1 H 0.841 0.02 2 1230 . 128 LEU CD2 C 28.092 0.40 2 1231 . 128 LEU HD2 H 0.766 0.02 2 1232 . 128 LEU C C 175.798 0.40 1 1233 . 129 VAL N N 127.252 0.20 1 1234 . 129 VAL H H 8.858 0.02 1 1235 . 129 VAL CA C 58.235 0.40 1 1236 . 129 VAL HA H 4.448 0.02 1 1237 . 129 VAL CB C 33.629 0.40 1 1238 . 129 VAL HB H 2.019 0.02 1 1239 . 129 VAL CG2 C 18.721 0.40 1 1240 . 129 VAL HG2 H 0.928 0.02 1 1241 . 129 VAL CG1 C 21.703 0.40 1 1242 . 129 VAL HG1 H 0.840 0.02 1 1243 . 129 VAL C C 173.360 0.40 1 1244 . 130 PRO CA C 62.104 0.40 1 1245 . 130 PRO HA H 4.575 0.02 1 1246 . 130 PRO CB C 34.775 0.40 1 1247 . 130 PRO HB2 H 2.154 0.02 2 1248 . 130 PRO HB3 H 2.421 0.02 2 1249 . 130 PRO CG C 25.439 0.40 1 1250 . 130 PRO HG2 H 1.920 0.02 2 1251 . 130 PRO HG3 H 1.781 0.02 2 1252 . 130 PRO HD2 H 3.518 0.02 2 1253 . 130 PRO HD3 H 3.546 0.02 2 1254 . 130 PRO C C 177.641 0.40 1 1255 . 131 GLU N N 126.826 0.20 1 1256 . 131 GLU H H 9.617 0.02 1 1257 . 131 GLU CA C 60.991 0.40 1 1258 . 131 GLU HA H 3.746 0.02 1 1259 . 131 GLU CB C 28.970 0.40 1 1260 . 131 GLU HB2 H 2.271 0.02 2 1261 . 131 GLU HB3 H 1.996 0.02 2 1262 . 131 GLU CG C 36.611 0.40 1 1263 . 131 GLU C C 179.205 0.40 1 1264 . 132 GLN N N 119.573 0.20 1 1265 . 132 GLN H H 9.088 0.02 1 1266 . 132 GLN CA C 58.913 0.40 1 1267 . 132 GLN HA H 4.139 0.02 1 1268 . 132 GLN CB C 28.569 0.40 1 1269 . 132 GLN HB2 H 2.294 0.02 2 1270 . 132 GLN HB3 H 1.952 0.02 2 1271 . 132 GLN CG C 34.201 0.40 1 1272 . 132 GLN HG2 H 2.640 0.02 1 1273 . 132 GLN HG3 H 2.640 0.02 1 1274 . 132 GLN C C 177.409 0.40 1 1275 . 133 VAL N N 116.587 0.20 1 1276 . 133 VAL H H 7.603 0.02 1 1277 . 133 VAL CA C 62.623 0.40 1 1278 . 133 VAL HA H 3.969 0.02 1 1279 . 133 VAL CB C 32.105 0.40 1 1280 . 133 VAL HB H 2.078 0.02 1 1281 . 133 VAL CG2 C 20.851 0.40 2 1282 . 133 VAL HG2 H 0.707 0.02 2 1283 . 133 VAL CG1 C 24.259 0.40 2 1284 . 133 VAL HG1 H 0.864 0.02 2 1285 . 133 VAL C C 176.577 0.40 1 1286 . 134 ARG N N 123.840 0.20 1 1287 . 134 ARG H H 7.701 0.02 1 1288 . 134 ARG CA C 60.319 0.40 1 1289 . 134 ARG HA H 3.700 0.02 1 1290 . 134 ARG CB C 29.536 0.40 1 1291 . 134 ARG CG C 28.512 0.40 1 1292 . 134 ARG C C 177.322 0.40 1 1293 . 135 GLU N N 119.178 0.20 1 1294 . 135 GLU H H 7.851 0.02 1 1295 . 135 GLU CA C 58.820 0.40 1 1296 . 135 GLU HA H 4.047 0.02 1 1297 . 135 GLU CB C 29.207 0.40 1 1298 . 135 GLU HB2 H 1.918 0.02 1 1299 . 135 GLU HB3 H 1.918 0.02 1 1300 . 135 GLU CG C 35.999 0.40 1 1301 . 135 GLU HG2 H 2.192 0.02 1 1302 . 135 GLU HG3 H 2.192 0.02 1 1303 . 135 GLU C C 178.710 0.40 1 1304 . 136 LEU N N 123.413 0.20 1 1305 . 136 LEU H H 6.843 0.02 1 1306 . 136 LEU CA C 58.159 0.40 1 1307 . 136 LEU HA H 3.950 0.02 1 1308 . 136 LEU CB C 42.148 0.40 1 1309 . 136 LEU HB2 H 1.418 0.02 2 1310 . 136 LEU HB3 H 1.797 0.02 2 1311 . 136 LEU CG C 26.506 0.40 1 1312 . 136 LEU HG H 1.268 0.02 1 1313 . 136 LEU CD1 C 23.833 0.40 2 1314 . 136 LEU HD1 H 0.682 0.02 2 1315 . 136 LEU CD2 C 26.388 0.40 2 1316 . 136 LEU HD2 H 0.384 0.02 2 1317 . 136 LEU C C 178.420 0.40 1 1318 . 137 VAL N N 117.877 0.20 1 1319 . 137 VAL H H 8.070 0.02 1 1320 . 137 VAL CA C 64.742 0.40 1 1321 . 137 VAL HA H 3.725 0.02 1 1322 . 137 VAL CB C 31.976 0.40 1 1323 . 137 VAL HB H 2.212 0.02 1 1324 . 137 VAL CG1 C 22.981 0.40 2 1325 . 137 VAL HG1 H 0.975 0.02 2 1326 . 137 VAL C C 179.702 0.40 1 1327 . 138 ARG N N 120.754 0.20 1 1328 . 138 ARG H H 7.704 0.02 1 1329 . 138 ARG CA C 59.591 0.40 1 1330 . 138 ARG HA H 4.166 0.02 1 1331 . 138 ARG CB C 30.456 0.40 1 1332 . 138 ARG HB2 H 1.926 0.02 1 1333 . 138 ARG HB3 H 1.926 0.02 1 1334 . 138 ARG HG2 H 1.570 0.02 1 1335 . 138 ARG HG3 H 1.570 0.02 1 1336 . 138 ARG CD C 43.000 0.40 1 1337 . 138 ARG HD2 H 3.137 0.02 2 1338 . 138 ARG HD3 H 3.064 0.02 2 1339 . 138 ARG C C 177.831 0.40 1 1340 . 139 THR N N 113.174 0.20 1 1341 . 139 THR H H 8.028 0.02 1 1342 . 139 THR CA C 63.703 0.40 1 1343 . 139 THR HA H 4.269 0.02 1 1344 . 139 THR CB C 70.117 0.40 1 1345 . 139 THR HB H 4.029 0.02 1 1346 . 139 THR CG2 C 19.147 0.40 1 1347 . 139 THR HG2 H 1.215 0.02 1 1348 . 139 THR C C 176.094 0.40 1 1349 . 140 GLN N N 120.369 0.20 1 1350 . 140 GLN H H 7.520 0.02 1 1351 . 140 GLN CA C 55.643 0.40 1 1352 . 140 GLN HA H 4.133 0.02 1 1353 . 140 GLN CB C 28.305 0.40 1 1354 . 140 GLN HB2 H 2.166 0.02 1 1355 . 140 GLN HB3 H 2.166 0.02 1 1356 . 140 GLN CG C 34.330 0.40 1 1357 . 140 GLN C C 175.677 0.40 1 1358 . 141 GLU N N 122.560 0.20 1 1359 . 141 GLU H H 7.482 0.02 1 1360 . 141 GLU CA C 57.420 0.40 1 1361 . 141 GLU HA H 3.317 0.02 1 1362 . 141 GLU CB C 29.838 0.40 1 1363 . 141 GLU HB2 H 1.721 0.02 2 1364 . 141 GLU HB3 H 1.858 0.02 2 1365 . 141 GLU CG C 35.937 0.40 1 1366 . 141 GLU HG2 H 1.972 0.02 2 1367 . 141 GLU HG3 H 2.055 0.02 2 1368 . 141 GLU C C 176.095 0.40 1 1369 . 142 VAL N N 119.619 0.20 1 1370 . 142 VAL H H 7.425 0.02 1 1371 . 142 VAL CA C 61.979 0.40 1 1372 . 142 VAL HA H 3.778 0.02 1 1373 . 142 VAL CB C 32.644 0.40 1 1374 . 142 VAL HB H 1.910 0.02 1 1375 . 142 VAL CG2 C 19.999 0.40 2 1376 . 142 VAL HG2 H 0.694 0.02 2 1377 . 142 VAL C C 175.500 0.40 1 1378 . 143 ASN N N 125.120 0.20 1 1379 . 143 ASN H H 8.201 0.02 1 1380 . 143 ASN CA C 51.280 0.40 1 1381 . 143 ASN HA H 4.886 0.02 1 1382 . 143 ASN CB C 38.931 0.40 1 1383 . 143 ASN HB2 H 2.561 0.02 2 1384 . 143 ASN HB3 H 2.742 0.02 2 stop_ save_