data_10084 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Nuclear move domain of nuclear distribution gene C homolog ; _BMRB_accession_number 10084 _BMRB_flat_file_name bmr10084.str _Entry_type original _Submission_date 2007-01-24 _Accession_date 2007-01-24 _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 Nagashima T. . . 2 Hayashi F. . . 3 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 798 "13C chemical shifts" 589 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Nuclear move domain of nuclear distribution gene C homolog' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nagashima T. . . 2 Hayashi F. . . 3 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'nuclear distribution gene C homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'nuclear distribution gene C homolog' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Nuclear move domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; GSSGSSGPNYRWTQTLAELD LAVPFRVSFRLKGKDVVVDI QRRHLRVGLKGQPPVVDGEL YNEVKVEESSWLIEDGKVVT VHLEKINKMEWWNRLVTSDP EINTKKINPENSKLSDLDSE TRSMVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 ASN 10 TYR 11 ARG 12 TRP 13 THR 14 GLN 15 THR 16 LEU 17 ALA 18 GLU 19 LEU 20 ASP 21 LEU 22 ALA 23 VAL 24 PRO 25 PHE 26 ARG 27 VAL 28 SER 29 PHE 30 ARG 31 LEU 32 LYS 33 GLY 34 LYS 35 ASP 36 VAL 37 VAL 38 VAL 39 ASP 40 ILE 41 GLN 42 ARG 43 ARG 44 HIS 45 LEU 46 ARG 47 VAL 48 GLY 49 LEU 50 LYS 51 GLY 52 GLN 53 PRO 54 PRO 55 VAL 56 VAL 57 ASP 58 GLY 59 GLU 60 LEU 61 TYR 62 ASN 63 GLU 64 VAL 65 LYS 66 VAL 67 GLU 68 GLU 69 SER 70 SER 71 TRP 72 LEU 73 ILE 74 GLU 75 ASP 76 GLY 77 LYS 78 VAL 79 VAL 80 THR 81 VAL 82 HIS 83 LEU 84 GLU 85 LYS 86 ILE 87 ASN 88 LYS 89 MET 90 GLU 91 TRP 92 TRP 93 ASN 94 ARG 95 LEU 96 VAL 97 THR 98 SER 99 ASP 100 PRO 101 GLU 102 ILE 103 ASN 104 THR 105 LYS 106 LYS 107 ILE 108 ASN 109 PRO 110 GLU 111 ASN 112 SER 113 LYS 114 LEU 115 SER 116 ASP 117 LEU 118 ASP 119 SER 120 GLU 121 THR 122 ARG 123 SER 124 MET 125 VAL 126 SER 127 GLY 128 PRO 129 SER 130 SER 131 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 PDB 1WFI "Nuclear Move Domain Of Nuclear Distribution Gene C Homolog" 100.00 131 100.00 100.00 1.10e-87 GB EDL32783 "mCG19035, partial [Mus musculus]" 61.83 125 100.00 100.00 9.82e-49 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P030908-69 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.08 mM '[U-13C; U-15N]' d-NaOAc 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.8992 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 4.5 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'nuclear distribution gene C homolog' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.893 0.030 1 2 1 1 GLY HA3 H 3.893 0.030 1 3 1 1 GLY C C 170.346 0.300 1 4 1 1 GLY CA C 43.404 0.300 1 5 2 2 SER H H 8.715 0.030 1 6 2 2 SER HA H 4.576 0.030 1 7 2 2 SER HB2 H 3.897 0.030 1 8 2 2 SER HB3 H 3.897 0.030 1 9 2 2 SER C C 174.681 0.300 1 10 2 2 SER CA C 58.308 0.300 1 11 2 2 SER CB C 64.013 0.300 1 12 2 2 SER N N 115.777 0.300 1 13 3 3 SER H H 8.564 0.030 1 14 3 3 SER HA H 4.516 0.030 1 15 3 3 SER HB2 H 3.913 0.030 1 16 3 3 SER HB3 H 3.913 0.030 1 17 3 3 SER C C 174.889 0.300 1 18 3 3 SER CA C 58.578 0.300 1 19 3 3 SER CB C 63.902 0.300 1 20 3 3 SER N N 118.035 0.300 1 21 4 4 GLY H H 8.381 0.030 1 22 4 4 GLY HA2 H 3.927 0.030 1 23 4 4 GLY HA3 H 3.927 0.030 1 24 4 4 GLY C C 174.009 0.300 1 25 4 4 GLY CA C 45.279 0.300 1 26 4 4 GLY N N 110.728 0.300 1 27 5 5 SER H H 8.117 0.030 1 28 5 5 SER HA H 4.512 0.030 1 29 5 5 SER HB2 H 3.778 0.030 1 30 5 5 SER HB3 H 3.778 0.030 1 31 5 5 SER C C 174.543 0.300 1 32 5 5 SER CA C 58.178 0.300 1 33 5 5 SER CB C 64.096 0.300 1 34 5 5 SER N N 115.483 0.300 1 35 6 6 SER H H 8.422 0.030 1 36 6 6 SER HA H 4.586 0.030 1 37 6 6 SER HB2 H 3.872 0.030 1 38 6 6 SER HB3 H 3.872 0.030 1 39 6 6 SER C C 173.941 0.300 1 40 6 6 SER CA C 58.282 0.300 1 41 6 6 SER CB C 64.133 0.300 1 42 6 6 SER N N 117.799 0.300 1 43 7 7 GLY H H 8.180 0.030 1 44 7 7 GLY HA2 H 4.178 0.030 2 45 7 7 GLY HA3 H 3.962 0.030 2 46 7 7 GLY C C 171.545 0.300 1 47 7 7 GLY CA C 44.510 0.300 1 48 7 7 GLY N N 110.890 0.300 1 49 8 8 PRO HA H 4.387 0.030 1 50 8 8 PRO HB2 H 2.168 0.030 2 51 8 8 PRO HB3 H 1.726 0.030 2 52 8 8 PRO HG2 H 1.992 0.030 2 53 8 8 PRO HG3 H 1.927 0.030 2 54 8 8 PRO HD2 H 3.583 0.030 1 55 8 8 PRO HD3 H 3.583 0.030 1 56 8 8 PRO C C 177.021 0.300 1 57 8 8 PRO CA C 63.144 0.300 1 58 8 8 PRO CB C 32.217 0.300 1 59 8 8 PRO CG C 27.248 0.300 1 60 8 8 PRO CD C 49.551 0.300 1 61 9 9 ASN H H 8.518 0.030 1 62 9 9 ASN HA H 4.706 0.030 1 63 9 9 ASN HB2 H 2.849 0.030 2 64 9 9 ASN HB3 H 2.719 0.030 2 65 9 9 ASN HD21 H 7.614 0.030 2 66 9 9 ASN HD22 H 6.944 0.030 2 67 9 9 ASN C C 173.723 0.300 1 68 9 9 ASN CA C 53.347 0.300 1 69 9 9 ASN CB C 38.739 0.300 1 70 9 9 ASN N N 118.101 0.300 1 71 9 9 ASN ND2 N 112.561 0.300 1 72 10 10 TYR H H 7.166 0.030 1 73 10 10 TYR HA H 4.939 0.030 1 74 10 10 TYR HB2 H 3.136 0.030 2 75 10 10 TYR HB3 H 3.096 0.030 2 76 10 10 TYR HD1 H 6.697 0.030 1 77 10 10 TYR HD2 H 6.697 0.030 1 78 10 10 TYR HE1 H 6.718 0.030 1 79 10 10 TYR HE2 H 6.718 0.030 1 80 10 10 TYR C C 173.278 0.300 1 81 10 10 TYR CA C 56.326 0.300 1 82 10 10 TYR CB C 40.091 0.300 1 83 10 10 TYR CD1 C 133.221 0.300 1 84 10 10 TYR CD2 C 133.221 0.300 1 85 10 10 TYR CE1 C 118.106 0.300 1 86 10 10 TYR CE2 C 118.106 0.300 1 87 10 10 TYR N N 112.069 0.300 1 88 11 11 ARG H H 8.782 0.030 1 89 11 11 ARG HA H 5.023 0.030 1 90 11 11 ARG HB2 H 1.897 0.030 2 91 11 11 ARG HB3 H 1.830 0.030 2 92 11 11 ARG HG2 H 1.653 0.030 2 93 11 11 ARG HG3 H 1.605 0.030 2 94 11 11 ARG HD2 H 3.154 0.030 1 95 11 11 ARG HD3 H 3.154 0.030 1 96 11 11 ARG HE H 7.224 0.030 1 97 11 11 ARG C C 174.200 0.300 1 98 11 11 ARG CA C 54.667 0.300 1 99 11 11 ARG CB C 33.885 0.300 1 100 11 11 ARG CG C 27.222 0.300 1 101 11 11 ARG CD C 43.435 0.300 1 102 11 11 ARG N N 118.223 0.300 1 103 11 11 ARG NE N 115.303 0.300 1 104 12 12 TRP H H 8.800 0.030 1 105 12 12 TRP HA H 5.905 0.030 1 106 12 12 TRP HB2 H 3.327 0.030 1 107 12 12 TRP HB3 H 3.327 0.030 1 108 12 12 TRP HD1 H 7.112 0.030 1 109 12 12 TRP HE1 H 10.343 0.030 1 110 12 12 TRP HE3 H 7.184 0.030 1 111 12 12 TRP HZ2 H 7.287 0.030 1 112 12 12 TRP HZ3 H 6.582 0.030 1 113 12 12 TRP HH2 H 6.644 0.030 1 114 12 12 TRP C C 173.780 0.300 1 115 12 12 TRP CA C 55.486 0.300 1 116 12 12 TRP CB C 31.979 0.300 1 117 12 12 TRP CD1 C 126.193 0.300 1 118 12 12 TRP CE3 C 119.710 0.300 1 119 12 12 TRP CZ2 C 114.194 0.300 1 120 12 12 TRP CZ3 C 121.584 0.300 1 121 12 12 TRP CH2 C 123.456 0.300 1 122 12 12 TRP N N 119.398 0.300 1 123 12 12 TRP NE1 N 130.188 0.300 1 124 13 13 THR H H 9.159 0.030 1 125 13 13 THR HA H 4.424 0.030 1 126 13 13 THR HB H 4.274 0.030 1 127 13 13 THR HG2 H 1.130 0.030 1 128 13 13 THR C C 172.480 0.300 1 129 13 13 THR CA C 59.753 0.300 1 130 13 13 THR CB C 71.876 0.300 1 131 13 13 THR CG2 C 21.212 0.300 1 132 13 13 THR N N 113.101 0.300 1 133 14 14 GLN H H 8.496 0.030 1 134 14 14 GLN HA H 5.393 0.030 1 135 14 14 GLN HB2 H 2.251 0.030 2 136 14 14 GLN HB3 H 1.699 0.030 2 137 14 14 GLN HG2 H 1.658 0.030 2 138 14 14 GLN HG3 H 1.221 0.030 2 139 14 14 GLN HE21 H 7.894 0.030 2 140 14 14 GLN HE22 H 7.243 0.030 2 141 14 14 GLN C C 174.154 0.300 1 142 14 14 GLN CA C 54.867 0.300 1 143 14 14 GLN CB C 33.332 0.300 1 144 14 14 GLN CG C 32.598 0.300 1 145 14 14 GLN N N 117.269 0.300 1 146 14 14 GLN NE2 N 116.387 0.300 1 147 15 15 THR H H 8.733 0.030 1 148 15 15 THR HA H 4.726 0.030 1 149 15 15 THR HB H 4.765 0.030 1 150 15 15 THR HG2 H 1.316 0.030 1 151 15 15 THR C C 175.299 0.300 1 152 15 15 THR CA C 60.046 0.300 1 153 15 15 THR CB C 71.973 0.300 1 154 15 15 THR CG2 C 21.822 0.300 1 155 15 15 THR N N 111.580 0.300 1 156 16 16 LEU H H 8.704 0.030 1 157 16 16 LEU HA H 3.527 0.030 1 158 16 16 LEU HB2 H 1.674 0.030 1 159 16 16 LEU HB3 H 1.674 0.030 1 160 16 16 LEU HG H 1.605 0.030 1 161 16 16 LEU HD1 H 0.922 0.030 1 162 16 16 LEU HD2 H 0.632 0.030 1 163 16 16 LEU C C 175.078 0.300 1 164 16 16 LEU CA C 59.351 0.300 1 165 16 16 LEU CB C 40.947 0.300 1 166 16 16 LEU CG C 27.280 0.300 1 167 16 16 LEU CD1 C 25.441 0.300 2 168 16 16 LEU CD2 C 23.100 0.300 2 169 16 16 LEU N N 120.642 0.300 1 170 17 17 ALA H H 7.386 0.030 1 171 17 17 ALA HA H 4.262 0.030 1 172 17 17 ALA HB H 1.441 0.030 1 173 17 17 ALA C C 176.782 0.300 1 174 17 17 ALA CA C 53.199 0.300 1 175 17 17 ALA CB C 22.265 0.300 1 176 17 17 ALA N N 112.041 0.300 1 177 18 18 GLU H H 7.380 0.030 1 178 18 18 GLU HA H 4.925 0.030 1 179 18 18 GLU HB2 H 1.924 0.030 2 180 18 18 GLU HB3 H 1.834 0.030 2 181 18 18 GLU HG2 H 2.399 0.030 2 182 18 18 GLU HG3 H 2.072 0.030 2 183 18 18 GLU C C 172.636 0.300 1 184 18 18 GLU CA C 54.296 0.300 1 185 18 18 GLU CB C 32.406 0.300 1 186 18 18 GLU CG C 33.187 0.300 1 187 18 18 GLU N N 112.900 0.300 1 188 19 19 LEU H H 8.723 0.030 1 189 19 19 LEU HA H 4.998 0.030 1 190 19 19 LEU HB2 H 1.335 0.030 2 191 19 19 LEU HB3 H 1.257 0.030 2 192 19 19 LEU HG H 1.159 0.030 1 193 19 19 LEU HD1 H -0.199 0.030 1 194 19 19 LEU HD2 H 0.085 0.030 1 195 19 19 LEU C C 174.331 0.300 1 196 19 19 LEU CA C 54.829 0.300 1 197 19 19 LEU CB C 45.486 0.300 1 198 19 19 LEU CG C 26.975 0.300 1 199 19 19 LEU CD1 C 26.680 0.300 2 200 19 19 LEU CD2 C 26.210 0.300 2 201 19 19 LEU N N 119.133 0.300 1 202 20 20 ASP H H 8.684 0.030 1 203 20 20 ASP HA H 5.930 0.030 1 204 20 20 ASP HB2 H 2.614 0.030 2 205 20 20 ASP HB3 H 2.451 0.030 2 206 20 20 ASP C C 173.681 0.300 1 207 20 20 ASP CA C 53.806 0.300 1 208 20 20 ASP CB C 43.727 0.300 1 209 20 20 ASP N N 119.881 0.300 1 210 21 21 LEU H H 9.539 0.030 1 211 21 21 LEU HA H 5.313 0.030 1 212 21 21 LEU HB2 H 1.805 0.030 2 213 21 21 LEU HB3 H 1.358 0.030 2 214 21 21 LEU HG H 1.581 0.030 1 215 21 21 LEU HD1 H 0.536 0.030 1 216 21 21 LEU HD2 H 0.742 0.030 1 217 21 21 LEU C C 174.596 0.300 1 218 21 21 LEU CA C 53.959 0.300 1 219 21 21 LEU CB C 46.238 0.300 1 220 21 21 LEU CG C 28.025 0.300 1 221 21 21 LEU CD1 C 27.452 0.300 2 222 21 21 LEU CD2 C 24.885 0.300 2 223 21 21 LEU N N 125.791 0.300 1 224 22 22 ALA H H 9.402 0.030 1 225 22 22 ALA HA H 5.168 0.030 1 226 22 22 ALA HB H 1.283 0.030 1 227 22 22 ALA C C 175.760 0.300 1 228 22 22 ALA CA C 51.512 0.300 1 229 22 22 ALA CB C 21.323 0.300 1 230 22 22 ALA N N 127.930 0.300 1 231 23 23 VAL H H 9.404 0.030 1 232 23 23 VAL HA H 4.550 0.030 1 233 23 23 VAL HB H 2.196 0.030 1 234 23 23 VAL HG1 H 0.446 0.030 1 235 23 23 VAL HG2 H 0.702 0.030 1 236 23 23 VAL C C 172.452 0.300 1 237 23 23 VAL CA C 59.050 0.300 1 238 23 23 VAL CB C 33.078 0.300 1 239 23 23 VAL CG1 C 22.592 0.300 2 240 23 23 VAL CG2 C 20.269 0.300 2 241 23 23 VAL N N 123.936 0.300 1 242 24 24 PRO HA H 4.857 0.030 1 243 24 24 PRO HB2 H 2.149 0.030 2 244 24 24 PRO HB3 H 1.890 0.030 2 245 24 24 PRO HG2 H 2.075 0.030 2 246 24 24 PRO HG3 H 1.864 0.030 2 247 24 24 PRO HD2 H 3.841 0.030 2 248 24 24 PRO HD3 H 3.735 0.030 2 249 24 24 PRO C C 175.854 0.300 1 250 24 24 PRO CA C 61.782 0.300 1 251 24 24 PRO CB C 32.322 0.300 1 252 24 24 PRO CG C 26.837 0.300 1 253 24 24 PRO CD C 50.782 0.300 1 254 25 25 PHE H H 8.455 0.030 1 255 25 25 PHE HA H 4.702 0.030 1 256 25 25 PHE HB2 H 2.869 0.030 1 257 25 25 PHE HB3 H 2.869 0.030 1 258 25 25 PHE HD1 H 7.227 0.030 1 259 25 25 PHE HD2 H 7.227 0.030 1 260 25 25 PHE HE1 H 7.085 0.030 1 261 25 25 PHE HE2 H 7.085 0.030 1 262 25 25 PHE HZ H 6.638 0.030 1 263 25 25 PHE C C 175.587 0.300 1 264 25 25 PHE CA C 58.154 0.300 1 265 25 25 PHE CB C 42.455 0.300 1 266 25 25 PHE CD1 C 132.072 0.300 1 267 25 25 PHE CD2 C 132.072 0.300 1 268 25 25 PHE CE1 C 130.596 0.300 1 269 25 25 PHE CE2 C 130.596 0.300 1 270 25 25 PHE CZ C 127.467 0.300 1 271 25 25 PHE N N 119.356 0.300 1 272 26 26 ARG H H 9.093 0.030 1 273 26 26 ARG HA H 4.583 0.030 1 274 26 26 ARG HB2 H 1.876 0.030 2 275 26 26 ARG HB3 H 1.706 0.030 2 276 26 26 ARG HG2 H 1.605 0.030 2 277 26 26 ARG HG3 H 1.522 0.030 2 278 26 26 ARG HD2 H 3.195 0.030 1 279 26 26 ARG HD3 H 3.195 0.030 1 280 26 26 ARG HE H 7.186 0.030 1 281 26 26 ARG C C 174.959 0.300 1 282 26 26 ARG CA C 55.153 0.300 1 283 26 26 ARG CB C 29.086 0.300 1 284 26 26 ARG CG C 27.167 0.300 1 285 26 26 ARG CD C 43.506 0.300 1 286 26 26 ARG N N 125.968 0.300 1 287 26 26 ARG NE N 115.223 0.300 1 288 27 27 VAL H H 7.992 0.030 1 289 27 27 VAL HA H 4.681 0.030 1 290 27 27 VAL HB H 1.735 0.030 1 291 27 27 VAL HG1 H 0.827 0.030 1 292 27 27 VAL HG2 H 0.456 0.030 1 293 27 27 VAL C C 176.184 0.300 1 294 27 27 VAL CA C 59.279 0.300 1 295 27 27 VAL CB C 35.466 0.300 1 296 27 27 VAL CG1 C 22.963 0.300 2 297 27 27 VAL CG2 C 17.877 0.300 2 298 27 27 VAL N N 116.633 0.300 1 299 28 28 SER H H 8.637 0.030 1 300 28 28 SER HA H 4.458 0.030 1 301 28 28 SER HB2 H 4.099 0.030 2 302 28 28 SER HB3 H 3.919 0.030 2 303 28 28 SER C C 172.940 0.300 1 304 28 28 SER CA C 58.597 0.300 1 305 28 28 SER CB C 63.578 0.300 1 306 28 28 SER N N 115.216 0.300 1 307 29 29 PHE H H 6.848 0.030 1 308 29 29 PHE HA H 4.927 0.030 1 309 29 29 PHE HB2 H 3.096 0.030 2 310 29 29 PHE HB3 H 3.050 0.030 2 311 29 29 PHE HD1 H 7.074 0.030 1 312 29 29 PHE HD2 H 7.074 0.030 1 313 29 29 PHE HE1 H 7.284 0.030 1 314 29 29 PHE HE2 H 7.284 0.030 1 315 29 29 PHE HZ H 7.231 0.030 1 316 29 29 PHE C C 173.088 0.300 1 317 29 29 PHE CA C 54.086 0.300 1 318 29 29 PHE CB C 40.690 0.300 1 319 29 29 PHE CD1 C 132.680 0.300 1 320 29 29 PHE CD2 C 132.680 0.300 1 321 29 29 PHE CE1 C 131.282 0.300 1 322 29 29 PHE CE2 C 131.282 0.300 1 323 29 29 PHE CZ C 129.661 0.300 1 324 29 29 PHE N N 117.653 0.300 1 325 30 30 ARG H H 8.583 0.030 1 326 30 30 ARG HA H 4.233 0.030 1 327 30 30 ARG HB2 H 1.817 0.030 1 328 30 30 ARG HB3 H 1.817 0.030 1 329 30 30 ARG HG2 H 1.752 0.030 2 330 30 30 ARG HG3 H 1.571 0.030 2 331 30 30 ARG HD2 H 3.271 0.030 2 332 30 30 ARG HD3 H 3.174 0.030 2 333 30 30 ARG HE H 7.315 0.030 1 334 30 30 ARG C C 175.673 0.300 1 335 30 30 ARG CA C 56.224 0.300 1 336 30 30 ARG CB C 30.379 0.300 1 337 30 30 ARG CG C 28.174 0.300 1 338 30 30 ARG CD C 43.341 0.300 1 339 30 30 ARG N N 119.234 0.300 1 340 30 30 ARG NE N 114.611 0.300 1 341 31 31 LEU H H 8.608 0.030 1 342 31 31 LEU HA H 4.229 0.030 1 343 31 31 LEU HB2 H 1.381 0.030 2 344 31 31 LEU HB3 H 1.101 0.030 2 345 31 31 LEU HG H 1.535 0.030 1 346 31 31 LEU HD1 H 0.493 0.030 1 347 31 31 LEU HD2 H 0.549 0.030 1 348 31 31 LEU C C 176.062 0.300 1 349 31 31 LEU CA C 55.614 0.300 1 350 31 31 LEU CB C 43.966 0.300 1 351 31 31 LEU CG C 26.397 0.300 1 352 31 31 LEU CD1 C 25.899 0.300 2 353 31 31 LEU CD2 C 24.526 0.300 2 354 31 31 LEU N N 126.645 0.300 1 355 32 32 LYS H H 9.358 0.030 1 356 32 32 LYS HA H 4.603 0.030 1 357 32 32 LYS HB2 H 2.061 0.030 2 358 32 32 LYS HB3 H 1.723 0.030 2 359 32 32 LYS HG2 H 1.611 0.030 2 360 32 32 LYS HG3 H 1.521 0.030 2 361 32 32 LYS HD2 H 1.793 0.030 2 362 32 32 LYS HD3 H 1.706 0.030 2 363 32 32 LYS HE2 H 3.037 0.030 1 364 32 32 LYS HE3 H 3.037 0.030 1 365 32 32 LYS C C 177.659 0.300 1 366 32 32 LYS CA C 54.203 0.300 1 367 32 32 LYS CB C 35.376 0.300 1 368 32 32 LYS CG C 24.904 0.300 1 369 32 32 LYS CD C 29.047 0.300 1 370 32 32 LYS CE C 41.953 0.300 1 371 32 32 LYS N N 121.853 0.300 1 372 33 33 GLY H H 8.834 0.030 1 373 33 33 GLY HA2 H 4.140 0.030 2 374 33 33 GLY HA3 H 3.871 0.030 2 375 33 33 GLY C C 176.002 0.300 1 376 33 33 GLY CA C 48.588 0.300 1 377 33 33 GLY N N 109.184 0.300 1 378 34 34 LYS H H 7.985 0.030 1 379 34 34 LYS HA H 4.344 0.030 1 380 34 34 LYS HB2 H 1.902 0.030 1 381 34 34 LYS HB3 H 1.902 0.030 1 382 34 34 LYS HG2 H 1.353 0.030 1 383 34 34 LYS HG3 H 1.353 0.030 1 384 34 34 LYS HD2 H 1.698 0.030 2 385 34 34 LYS HD3 H 1.600 0.030 2 386 34 34 LYS HE2 H 3.023 0.030 2 387 34 34 LYS HE3 H 2.929 0.030 2 388 34 34 LYS C C 177.169 0.300 1 389 34 34 LYS CA C 57.428 0.300 1 390 34 34 LYS CB C 31.620 0.300 1 391 34 34 LYS CG C 23.870 0.300 1 392 34 34 LYS CD C 29.293 0.300 1 393 34 34 LYS CE C 42.289 0.300 1 394 34 34 LYS N N 114.390 0.300 1 395 35 35 ASP H H 8.204 0.030 1 396 35 35 ASP HA H 4.696 0.030 1 397 35 35 ASP HB2 H 2.933 0.030 1 398 35 35 ASP HB3 H 2.933 0.030 1 399 35 35 ASP C C 176.101 0.300 1 400 35 35 ASP CA C 56.085 0.300 1 401 35 35 ASP CB C 43.981 0.300 1 402 35 35 ASP N N 118.251 0.300 1 403 36 36 VAL H H 7.560 0.030 1 404 36 36 VAL HA H 4.497 0.030 1 405 36 36 VAL HB H 1.957 0.030 1 406 36 36 VAL HG1 H 0.509 0.030 1 407 36 36 VAL HG2 H 0.727 0.030 1 408 36 36 VAL C C 173.394 0.300 1 409 36 36 VAL CA C 60.555 0.300 1 410 36 36 VAL CB C 35.129 0.300 1 411 36 36 VAL CG1 C 22.319 0.300 2 412 36 36 VAL CG2 C 20.937 0.300 2 413 36 36 VAL N N 115.712 0.300 1 414 37 37 VAL H H 8.849 0.030 1 415 37 37 VAL HA H 4.036 0.030 1 416 37 37 VAL HB H 1.573 0.030 1 417 37 37 VAL HG1 H 0.720 0.030 1 418 37 37 VAL HG2 H 0.669 0.030 1 419 37 37 VAL C C 174.048 0.300 1 420 37 37 VAL CA C 61.194 0.300 1 421 37 37 VAL CB C 33.828 0.300 1 422 37 37 VAL CG1 C 20.379 0.300 2 423 37 37 VAL CG2 C 20.216 0.300 2 424 37 37 VAL N N 123.324 0.300 1 425 38 38 VAL H H 7.932 0.030 1 426 38 38 VAL HA H 4.339 0.030 1 427 38 38 VAL HB H 0.314 0.030 1 428 38 38 VAL HG1 H 0.313 0.030 1 429 38 38 VAL HG2 H -0.197 0.030 1 430 38 38 VAL C C 174.392 0.300 1 431 38 38 VAL CA C 61.309 0.300 1 432 38 38 VAL CB C 33.185 0.300 1 433 38 38 VAL CG1 C 21.589 0.300 2 434 38 38 VAL CG2 C 21.072 0.300 2 435 38 38 VAL N N 126.142 0.300 1 436 39 39 ASP H H 9.009 0.030 1 437 39 39 ASP HA H 4.936 0.030 1 438 39 39 ASP HB2 H 2.721 0.030 2 439 39 39 ASP HB3 H 2.331 0.030 2 440 39 39 ASP C C 175.070 0.300 1 441 39 39 ASP CA C 52.776 0.300 1 442 39 39 ASP CB C 42.961 0.300 1 443 39 39 ASP N N 127.502 0.300 1 444 40 40 ILE H H 8.674 0.030 1 445 40 40 ILE HA H 4.210 0.030 1 446 40 40 ILE HB H 1.817 0.030 1 447 40 40 ILE HG12 H 1.530 0.030 2 448 40 40 ILE HG13 H 0.572 0.030 2 449 40 40 ILE HG2 H 0.799 0.030 1 450 40 40 ILE HD1 H 0.826 0.030 1 451 40 40 ILE C C 173.993 0.300 1 452 40 40 ILE CA C 61.960 0.300 1 453 40 40 ILE CB C 38.877 0.300 1 454 40 40 ILE CG1 C 27.402 0.300 1 455 40 40 ILE CG2 C 18.233 0.300 1 456 40 40 ILE CD1 C 13.831 0.300 1 457 40 40 ILE N N 128.276 0.300 1 458 41 41 GLN H H 8.540 0.030 1 459 41 41 GLN HA H 4.655 0.030 1 460 41 41 GLN HB2 H 2.408 0.030 2 461 41 41 GLN HB3 H 1.810 0.030 2 462 41 41 GLN HG2 H 2.357 0.030 2 463 41 41 GLN HG3 H 2.301 0.030 2 464 41 41 GLN HE21 H 8.117 0.030 2 465 41 41 GLN HE22 H 6.634 0.030 2 466 41 41 GLN C C 174.397 0.300 1 467 41 41 GLN CA C 53.373 0.300 1 468 41 41 GLN CB C 32.017 0.300 1 469 41 41 GLN CG C 33.567 0.300 1 470 41 41 GLN N N 125.158 0.300 1 471 41 41 GLN NE2 N 113.914 0.300 1 472 42 42 ARG H H 8.404 0.030 1 473 42 42 ARG HA H 4.096 0.030 1 474 42 42 ARG HB2 H 1.949 0.030 2 475 42 42 ARG HB3 H 1.887 0.030 2 476 42 42 ARG HG2 H 1.933 0.030 2 477 42 42 ARG HG3 H 1.755 0.030 2 478 42 42 ARG HD2 H 3.494 0.030 2 479 42 42 ARG HD3 H 3.270 0.030 2 480 42 42 ARG HE H 7.417 0.030 1 481 42 42 ARG C C 175.589 0.300 1 482 42 42 ARG CA C 59.122 0.300 1 483 42 42 ARG CB C 30.681 0.300 1 484 42 42 ARG CG C 27.247 0.300 1 485 42 42 ARG CD C 43.734 0.300 1 486 42 42 ARG N N 117.462 0.300 1 487 42 42 ARG NE N 115.368 0.300 1 488 43 43 ARG H H 8.327 0.030 1 489 43 43 ARG HA H 4.641 0.030 1 490 43 43 ARG HB2 H 2.196 0.030 2 491 43 43 ARG HB3 H 1.337 0.030 2 492 43 43 ARG HG2 H 1.817 0.030 2 493 43 43 ARG HG3 H 1.364 0.030 2 494 43 43 ARG HD2 H 3.107 0.030 2 495 43 43 ARG HD3 H 3.049 0.030 2 496 43 43 ARG HE H 6.738 0.030 1 497 43 43 ARG C C 176.620 0.300 1 498 43 43 ARG CA C 54.017 0.300 1 499 43 43 ARG CB C 33.276 0.300 1 500 43 43 ARG CG C 30.140 0.300 1 501 43 43 ARG CD C 43.732 0.300 1 502 43 43 ARG N N 113.287 0.300 1 503 43 43 ARG NE N 114.416 0.300 1 504 44 44 HIS H H 7.440 0.030 1 505 44 44 HIS HA H 4.914 0.030 1 506 44 44 HIS HB2 H 3.023 0.030 2 507 44 44 HIS HB3 H 2.924 0.030 2 508 44 44 HIS HD2 H 7.202 0.030 1 509 44 44 HIS HE1 H 8.660 0.030 1 510 44 44 HIS C C 169.988 0.300 1 511 44 44 HIS CA C 56.484 0.300 1 512 44 44 HIS CB C 32.117 0.300 1 513 44 44 HIS CD2 C 120.408 0.300 1 514 44 44 HIS CE1 C 135.692 0.300 1 515 44 44 HIS N N 120.352 0.300 1 516 45 45 LEU H H 7.953 0.030 1 517 45 45 LEU HA H 5.177 0.030 1 518 45 45 LEU HB2 H 1.298 0.030 2 519 45 45 LEU HB3 H 1.136 0.030 2 520 45 45 LEU HG H 1.136 0.030 1 521 45 45 LEU HD1 H 0.572 0.030 1 522 45 45 LEU HD2 H 0.798 0.030 1 523 45 45 LEU C C 172.805 0.300 1 524 45 45 LEU CA C 53.467 0.300 1 525 45 45 LEU CB C 47.817 0.300 1 526 45 45 LEU CG C 27.638 0.300 1 527 45 45 LEU CD1 C 27.106 0.300 2 528 45 45 LEU CD2 C 24.135 0.300 2 529 45 45 LEU N N 125.464 0.300 1 530 46 46 ARG H H 8.000 0.030 1 531 46 46 ARG HA H 5.419 0.030 1 532 46 46 ARG HB2 H 1.890 0.030 2 533 46 46 ARG HB3 H 1.745 0.030 2 534 46 46 ARG HG2 H 1.653 0.030 2 535 46 46 ARG HG3 H 1.427 0.030 2 536 46 46 ARG HD2 H 3.164 0.030 1 537 46 46 ARG HD3 H 3.164 0.030 1 538 46 46 ARG HE H 7.304 0.030 1 539 46 46 ARG C C 174.842 0.300 1 540 46 46 ARG CA C 54.502 0.300 1 541 46 46 ARG CB C 34.516 0.300 1 542 46 46 ARG CG C 28.029 0.300 1 543 46 46 ARG CD C 43.533 0.300 1 544 46 46 ARG N N 125.580 0.300 1 545 46 46 ARG NE N 114.499 0.300 1 546 47 47 VAL H H 9.025 0.030 1 547 47 47 VAL HA H 5.024 0.030 1 548 47 47 VAL HB H 1.701 0.030 1 549 47 47 VAL HG1 H 0.878 0.030 1 550 47 47 VAL HG2 H 0.721 0.030 1 551 47 47 VAL C C 175.332 0.300 1 552 47 47 VAL CA C 60.765 0.300 1 553 47 47 VAL CB C 36.264 0.300 1 554 47 47 VAL CG1 C 21.087 0.300 2 555 47 47 VAL CG2 C 20.819 0.300 2 556 47 47 VAL N N 123.077 0.300 1 557 48 48 GLY H H 8.978 0.030 1 558 48 48 GLY HA2 H 4.407 0.030 1 559 48 48 GLY HA3 H 4.407 0.030 1 560 48 48 GLY C C 170.190 0.300 1 561 48 48 GLY CA C 46.006 0.300 1 562 48 48 GLY N N 113.840 0.300 1 563 49 49 LEU H H 9.441 0.030 1 564 49 49 LEU HA H 4.561 0.030 1 565 49 49 LEU HB2 H 1.393 0.030 2 566 49 49 LEU HB3 H 1.348 0.030 2 567 49 49 LEU HG H 1.219 0.030 1 568 49 49 LEU HD1 H 0.710 0.030 1 569 49 49 LEU HD2 H 0.121 0.030 1 570 49 49 LEU C C 178.493 0.300 1 571 49 49 LEU CA C 53.575 0.300 1 572 49 49 LEU CB C 42.160 0.300 1 573 49 49 LEU CG C 26.712 0.300 1 574 49 49 LEU CD1 C 25.495 0.300 2 575 49 49 LEU CD2 C 23.038 0.300 2 576 49 49 LEU N N 120.243 0.300 1 577 50 50 LYS H H 8.250 0.030 1 578 50 50 LYS HA H 3.878 0.030 1 579 50 50 LYS HB2 H 1.712 0.030 2 580 50 50 LYS HB3 H 1.506 0.030 2 581 50 50 LYS HG2 H 1.312 0.030 2 582 50 50 LYS HG3 H 1.261 0.030 2 583 50 50 LYS HD2 H 1.701 0.030 2 584 50 50 LYS HD3 H 1.653 0.030 2 585 50 50 LYS HE2 H 2.942 0.030 2 586 50 50 LYS HE3 H 2.909 0.030 2 587 50 50 LYS C C 177.791 0.300 1 588 50 50 LYS CA C 58.245 0.300 1 589 50 50 LYS CB C 31.979 0.300 1 590 50 50 LYS CG C 24.993 0.300 1 591 50 50 LYS CD C 29.215 0.300 1 592 50 50 LYS CE C 42.215 0.300 1 593 50 50 LYS N N 123.640 0.300 1 594 51 51 GLY H H 9.072 0.030 1 595 51 51 GLY HA2 H 4.147 0.030 2 596 51 51 GLY HA3 H 3.701 0.030 2 597 51 51 GLY C C 173.339 0.300 1 598 51 51 GLY CA C 45.528 0.300 1 599 51 51 GLY N N 113.799 0.300 1 600 52 52 GLN H H 7.534 0.030 1 601 52 52 GLN HA H 4.907 0.030 1 602 52 52 GLN HB2 H 2.227 0.030 2 603 52 52 GLN HB3 H 1.755 0.030 2 604 52 52 GLN HG2 H 2.267 0.030 2 605 52 52 GLN HG3 H 2.217 0.030 2 606 52 52 GLN HE21 H 7.629 0.030 2 607 52 52 GLN HE22 H 6.831 0.030 2 608 52 52 GLN C C 173.260 0.300 1 609 52 52 GLN CA C 52.677 0.300 1 610 52 52 GLN CB C 29.573 0.300 1 611 52 52 GLN CG C 33.153 0.300 1 612 52 52 GLN N N 117.761 0.300 1 613 52 52 GLN NE2 N 113.139 0.300 1 614 53 53 PRO HA H 4.733 0.030 1 615 53 53 PRO HB2 H 2.450 0.030 2 616 53 53 PRO HB3 H 1.835 0.030 2 617 53 53 PRO HG2 H 2.210 0.030 2 618 53 53 PRO HG3 H 2.011 0.030 2 619 53 53 PRO HD2 H 3.846 0.030 2 620 53 53 PRO HD3 H 3.664 0.030 2 621 53 53 PRO CA C 61.469 0.300 1 622 53 53 PRO CB C 30.659 0.300 1 623 53 53 PRO CG C 28.269 0.300 1 624 53 53 PRO CD C 50.614 0.300 1 625 54 54 PRO HA H 4.532 0.030 1 626 54 54 PRO HB2 H 2.076 0.030 2 627 54 54 PRO HB3 H 1.910 0.030 2 628 54 54 PRO HG2 H 2.020 0.030 2 629 54 54 PRO HG3 H 1.948 0.030 2 630 54 54 PRO HD2 H 3.834 0.030 2 631 54 54 PRO HD3 H 3.775 0.030 2 632 54 54 PRO C C 176.083 0.300 1 633 54 54 PRO CA C 63.419 0.300 1 634 54 54 PRO CB C 32.212 0.300 1 635 54 54 PRO CG C 27.557 0.300 1 636 54 54 PRO CD C 50.676 0.300 1 637 55 55 VAL H H 8.421 0.030 1 638 55 55 VAL HA H 4.063 0.030 1 639 55 55 VAL HB H 1.863 0.030 1 640 55 55 VAL HG1 H 1.128 0.030 1 641 55 55 VAL HG2 H 1.042 0.030 1 642 55 55 VAL C C 176.093 0.300 1 643 55 55 VAL CA C 64.261 0.300 1 644 55 55 VAL CB C 33.341 0.300 1 645 55 55 VAL CG1 C 22.339 0.300 2 646 55 55 VAL CG2 C 22.038 0.300 2 647 55 55 VAL N N 120.471 0.300 1 648 56 56 VAL H H 7.677 0.030 1 649 56 56 VAL HA H 4.059 0.030 1 650 56 56 VAL HB H 1.487 0.030 1 651 56 56 VAL HG1 H 0.332 0.030 1 652 56 56 VAL HG2 H 0.475 0.030 1 653 56 56 VAL C C 174.457 0.300 1 654 56 56 VAL CA C 60.760 0.300 1 655 56 56 VAL CB C 34.783 0.300 1 656 56 56 VAL CG1 C 20.991 0.300 2 657 56 56 VAL CG2 C 20.354 0.300 2 658 56 56 VAL N N 117.748 0.300 1 659 57 57 ASP H H 8.770 0.030 1 660 57 57 ASP HA H 5.375 0.030 1 661 57 57 ASP HB2 H 2.684 0.030 2 662 57 57 ASP HB3 H 2.611 0.030 2 663 57 57 ASP C C 174.630 0.300 1 664 57 57 ASP CA C 53.736 0.300 1 665 57 57 ASP CB C 41.029 0.300 1 666 57 57 ASP N N 125.939 0.300 1 667 58 58 GLY H H 7.976 0.030 1 668 58 58 GLY HA2 H 4.230 0.030 2 669 58 58 GLY HA3 H 3.659 0.030 2 670 58 58 GLY C C 169.939 0.300 1 671 58 58 GLY CA C 45.496 0.300 1 672 58 58 GLY N N 108.867 0.300 1 673 59 59 GLU H H 8.391 0.030 1 674 59 59 GLU HA H 4.495 0.030 1 675 59 59 GLU HB2 H 2.000 0.030 1 676 59 59 GLU HB3 H 2.000 0.030 1 677 59 59 GLU HG2 H 2.500 0.030 2 678 59 59 GLU HG3 H 2.349 0.030 2 679 59 59 GLU C C 176.194 0.300 1 680 59 59 GLU CA C 54.987 0.300 1 681 59 59 GLU CB C 29.827 0.300 1 682 59 59 GLU CG C 34.843 0.300 1 683 59 59 GLU N N 120.883 0.300 1 684 60 60 LEU H H 7.173 0.030 1 685 60 60 LEU HA H 4.551 0.030 1 686 60 60 LEU HB2 H 1.922 0.030 2 687 60 60 LEU HB3 H 1.399 0.030 2 688 60 60 LEU HG H 1.183 0.030 1 689 60 60 LEU HD1 H 0.973 0.030 1 690 60 60 LEU HD2 H 0.839 0.030 1 691 60 60 LEU C C 176.866 0.300 1 692 60 60 LEU CA C 54.247 0.300 1 693 60 60 LEU CB C 44.671 0.300 1 694 60 60 LEU CG C 27.632 0.300 1 695 60 60 LEU CD1 C 27.461 0.300 2 696 60 60 LEU CD2 C 23.530 0.300 2 697 60 60 LEU N N 125.880 0.300 1 698 61 61 TYR H H 7.266 0.030 1 699 61 61 TYR HA H 3.239 0.030 1 700 61 61 TYR HB2 H 2.372 0.030 2 701 61 61 TYR HB3 H 1.303 0.030 2 702 61 61 TYR HD1 H 5.950 0.030 1 703 61 61 TYR HD2 H 5.950 0.030 1 704 61 61 TYR HE1 H 6.718 0.030 1 705 61 61 TYR HE2 H 6.718 0.030 1 706 61 61 TYR C C 174.692 0.300 1 707 61 61 TYR CA C 61.210 0.300 1 708 61 61 TYR CB C 39.401 0.300 1 709 61 61 TYR CD1 C 133.223 0.300 1 710 61 61 TYR CD2 C 133.223 0.300 1 711 61 61 TYR CE1 C 117.868 0.300 1 712 61 61 TYR CE2 C 117.868 0.300 1 713 61 61 TYR N N 120.210 0.300 1 714 62 62 ASN H H 6.085 0.030 1 715 62 62 ASN HA H 4.140 0.030 1 716 62 62 ASN HB2 H 2.676 0.030 2 717 62 62 ASN HB3 H 2.133 0.030 2 718 62 62 ASN HD21 H 7.021 0.030 2 719 62 62 ASN HD22 H 9.361 0.030 2 720 62 62 ASN C C 171.777 0.300 1 721 62 62 ASN CA C 50.005 0.300 1 722 62 62 ASN CB C 40.841 0.300 1 723 62 62 ASN N N 110.776 0.300 1 724 62 62 ASN ND2 N 115.461 0.300 1 725 63 63 GLU H H 8.557 0.030 1 726 63 63 GLU HA H 4.944 0.030 1 727 63 63 GLU HB2 H 2.015 0.030 2 728 63 63 GLU HB3 H 1.875 0.030 2 729 63 63 GLU HG2 H 2.415 0.030 2 730 63 63 GLU HG3 H 2.158 0.030 2 731 63 63 GLU C C 178.359 0.300 1 732 63 63 GLU CA C 56.157 0.300 1 733 63 63 GLU CB C 32.404 0.300 1 734 63 63 GLU CG C 37.429 0.300 1 735 63 63 GLU N N 114.303 0.300 1 736 64 64 VAL H H 9.383 0.030 1 737 64 64 VAL HA H 5.022 0.030 1 738 64 64 VAL HB H 2.062 0.030 1 739 64 64 VAL HG1 H 0.956 0.030 1 740 64 64 VAL HG2 H 0.733 0.030 1 741 64 64 VAL C C 174.054 0.300 1 742 64 64 VAL CA C 59.035 0.300 1 743 64 64 VAL CB C 34.982 0.300 1 744 64 64 VAL CG1 C 22.960 0.300 2 745 64 64 VAL CG2 C 18.031 0.300 2 746 64 64 VAL N N 115.473 0.300 1 747 65 65 LYS H H 8.681 0.030 1 748 65 65 LYS HA H 4.502 0.030 1 749 65 65 LYS HB2 H 1.933 0.030 2 750 65 65 LYS HB3 H 1.446 0.030 2 751 65 65 LYS HG2 H 1.339 0.030 2 752 65 65 LYS HG3 H 1.254 0.030 2 753 65 65 LYS HD2 H 1.749 0.030 2 754 65 65 LYS HD3 H 1.604 0.030 2 755 65 65 LYS HE2 H 2.977 0.030 2 756 65 65 LYS HE3 H 2.931 0.030 2 757 65 65 LYS C C 177.796 0.300 1 758 65 65 LYS CA C 53.926 0.300 1 759 65 65 LYS CB C 32.079 0.300 1 760 65 65 LYS CG C 25.679 0.300 1 761 65 65 LYS CD C 29.380 0.300 1 762 65 65 LYS CE C 42.390 0.300 1 763 65 65 LYS N N 120.621 0.300 1 764 66 66 VAL H H 8.946 0.030 1 765 66 66 VAL HA H 3.236 0.030 1 766 66 66 VAL HB H 2.064 0.030 1 767 66 66 VAL HG1 H 0.969 0.030 1 768 66 66 VAL HG2 H 0.930 0.030 1 769 66 66 VAL C C 178.589 0.300 1 770 66 66 VAL CA C 67.889 0.300 1 771 66 66 VAL CB C 31.779 0.300 1 772 66 66 VAL CG1 C 22.045 0.300 2 773 66 66 VAL CG2 C 21.324 0.300 2 774 66 66 VAL N N 132.885 0.300 1 775 67 67 GLU H H 10.216 0.030 1 776 67 67 GLU HA H 4.246 0.030 1 777 67 67 GLU HB2 H 2.168 0.030 2 778 67 67 GLU HB3 H 2.015 0.030 2 779 67 67 GLU HG2 H 2.483 0.030 2 780 67 67 GLU HG3 H 2.453 0.030 2 781 67 67 GLU C C 177.054 0.300 1 782 67 67 GLU CA C 59.418 0.300 1 783 67 67 GLU CB C 28.806 0.300 1 784 67 67 GLU CG C 36.721 0.300 1 785 67 67 GLU N N 117.366 0.300 1 786 68 68 GLU H H 7.050 0.030 1 787 68 68 GLU HA H 4.664 0.030 1 788 68 68 GLU HB2 H 2.533 0.030 2 789 68 68 GLU HB3 H 1.410 0.030 2 790 68 68 GLU HG2 H 2.322 0.030 2 791 68 68 GLU HG3 H 2.179 0.030 2 792 68 68 GLU C C 175.138 0.300 1 793 68 68 GLU CA C 55.219 0.300 1 794 68 68 GLU CB C 30.986 0.300 1 795 68 68 GLU CG C 36.340 0.300 1 796 68 68 GLU N N 115.841 0.300 1 797 69 69 SER H H 7.609 0.030 1 798 69 69 SER HA H 5.119 0.030 1 799 69 69 SER HB2 H 4.395 0.030 2 800 69 69 SER HB3 H 3.965 0.030 2 801 69 69 SER C C 172.369 0.300 1 802 69 69 SER CA C 59.318 0.300 1 803 69 69 SER CB C 64.982 0.300 1 804 69 69 SER N N 117.545 0.300 1 805 70 70 SER H H 9.399 0.030 1 806 70 70 SER HA H 4.917 0.030 1 807 70 70 SER HB2 H 3.920 0.030 1 808 70 70 SER HB3 H 3.920 0.030 1 809 70 70 SER C C 171.584 0.300 1 810 70 70 SER CA C 58.178 0.300 1 811 70 70 SER CB C 65.620 0.300 1 812 70 70 SER N N 115.919 0.300 1 813 71 71 TRP H H 8.211 0.030 1 814 71 71 TRP HA H 5.810 0.030 1 815 71 71 TRP HB2 H 3.623 0.030 2 816 71 71 TRP HB3 H 3.163 0.030 2 817 71 71 TRP HD1 H 7.026 0.030 1 818 71 71 TRP HE1 H 10.255 0.030 1 819 71 71 TRP HE3 H 7.310 0.030 1 820 71 71 TRP HZ2 H 7.545 0.030 1 821 71 71 TRP HZ3 H 6.807 0.030 1 822 71 71 TRP HH2 H 7.251 0.030 1 823 71 71 TRP C C 174.053 0.300 1 824 71 71 TRP CA C 55.441 0.300 1 825 71 71 TRP CB C 33.469 0.300 1 826 71 71 TRP CD1 C 127.632 0.300 1 827 71 71 TRP CE3 C 119.836 0.300 1 828 71 71 TRP CZ2 C 114.919 0.300 1 829 71 71 TRP CZ3 C 121.017 0.300 1 830 71 71 TRP CH2 C 124.094 0.300 1 831 71 71 TRP N N 115.223 0.300 1 832 71 71 TRP NE1 N 130.401 0.300 1 833 72 72 LEU H H 9.284 0.030 1 834 72 72 LEU HA H 4.404 0.030 1 835 72 72 LEU HB2 H 1.692 0.030 2 836 72 72 LEU HB3 H 1.619 0.030 2 837 72 72 LEU HG H 1.538 0.030 1 838 72 72 LEU HD1 H 0.831 0.030 1 839 72 72 LEU HD2 H 0.831 0.030 1 840 72 72 LEU C C 175.137 0.300 1 841 72 72 LEU CA C 54.834 0.300 1 842 72 72 LEU CB C 45.823 0.300 1 843 72 72 LEU CG C 26.334 0.300 1 844 72 72 LEU CD1 C 25.489 0.300 1 845 72 72 LEU CD2 C 25.489 0.300 1 846 72 72 LEU N N 119.655 0.300 1 847 73 73 ILE H H 8.430 0.030 1 848 73 73 ILE HA H 5.034 0.030 1 849 73 73 ILE HB H 1.733 0.030 1 850 73 73 ILE HG12 H 1.920 0.030 2 851 73 73 ILE HG13 H 0.984 0.030 2 852 73 73 ILE HG2 H 0.758 0.030 1 853 73 73 ILE HD1 H 0.789 0.030 1 854 73 73 ILE C C 176.274 0.300 1 855 73 73 ILE CA C 60.519 0.300 1 856 73 73 ILE CB C 39.214 0.300 1 857 73 73 ILE CG1 C 28.698 0.300 1 858 73 73 ILE CG2 C 18.058 0.300 1 859 73 73 ILE CD1 C 14.050 0.300 1 860 73 73 ILE N N 119.675 0.300 1 861 74 74 GLU H H 9.953 0.030 1 862 74 74 GLU HA H 4.682 0.030 1 863 74 74 GLU HB2 H 2.049 0.030 2 864 74 74 GLU HB3 H 1.933 0.030 2 865 74 74 GLU HG2 H 2.297 0.030 2 866 74 74 GLU HG3 H 2.153 0.030 2 867 74 74 GLU C C 176.230 0.300 1 868 74 74 GLU CA C 55.300 0.300 1 869 74 74 GLU CB C 31.237 0.300 1 870 74 74 GLU CG C 35.287 0.300 1 871 74 74 GLU N N 129.932 0.300 1 872 75 75 ASP H H 9.484 0.030 1 873 75 75 ASP HA H 4.432 0.030 1 874 75 75 ASP HB2 H 3.031 0.030 2 875 75 75 ASP HB3 H 2.630 0.030 2 876 75 75 ASP C C 175.247 0.300 1 877 75 75 ASP CA C 55.224 0.300 1 878 75 75 ASP CB C 40.529 0.300 1 879 75 75 ASP N N 125.067 0.300 1 880 76 76 GLY H H 8.734 0.030 1 881 76 76 GLY HA2 H 4.018 0.030 2 882 76 76 GLY HA3 H 3.900 0.030 2 883 76 76 GLY C C 174.448 0.300 1 884 76 76 GLY CA C 46.850 0.300 1 885 76 76 GLY N N 104.095 0.300 1 886 77 77 LYS H H 7.957 0.030 1 887 77 77 LYS HA H 4.748 0.030 1 888 77 77 LYS HB2 H 2.017 0.030 2 889 77 77 LYS HB3 H 1.971 0.030 2 890 77 77 LYS HG2 H 1.534 0.030 2 891 77 77 LYS HG3 H 1.462 0.030 2 892 77 77 LYS HD2 H 1.782 0.030 2 893 77 77 LYS HD3 H 1.757 0.030 2 894 77 77 LYS HE2 H 3.016 0.030 1 895 77 77 LYS HE3 H 3.016 0.030 1 896 77 77 LYS C C 172.983 0.300 1 897 77 77 LYS CA C 57.925 0.300 1 898 77 77 LYS CB C 36.857 0.300 1 899 77 77 LYS CG C 24.267 0.300 1 900 77 77 LYS CD C 29.588 0.300 1 901 77 77 LYS CE C 42.307 0.300 1 902 77 77 LYS N N 116.747 0.300 1 903 78 78 VAL H H 8.105 0.030 1 904 78 78 VAL HA H 4.902 0.030 1 905 78 78 VAL HB H 2.146 0.030 1 906 78 78 VAL HG1 H 0.955 0.030 1 907 78 78 VAL HG2 H 0.744 0.030 1 908 78 78 VAL C C 175.997 0.300 1 909 78 78 VAL CA C 60.697 0.300 1 910 78 78 VAL CB C 35.327 0.300 1 911 78 78 VAL CG1 C 21.679 0.300 2 912 78 78 VAL CG2 C 21.576 0.300 2 913 78 78 VAL N N 119.558 0.300 1 914 79 79 VAL H H 8.788 0.030 1 915 79 79 VAL HA H 4.808 0.030 1 916 79 79 VAL HB H 2.111 0.030 1 917 79 79 VAL HG1 H 1.019 0.030 1 918 79 79 VAL HG2 H 0.897 0.030 1 919 79 79 VAL C C 175.084 0.300 1 920 79 79 VAL CA C 62.240 0.300 1 921 79 79 VAL CB C 33.180 0.300 1 922 79 79 VAL CG1 C 23.800 0.300 2 923 79 79 VAL CG2 C 21.678 0.300 2 924 79 79 VAL N N 128.368 0.300 1 925 80 80 THR H H 9.473 0.030 1 926 80 80 THR HA H 5.675 0.030 1 927 80 80 THR HB H 4.255 0.030 1 928 80 80 THR HG2 H 1.130 0.030 1 929 80 80 THR C C 173.873 0.300 1 930 80 80 THR CA C 59.204 0.300 1 931 80 80 THR CB C 70.194 0.300 1 932 80 80 THR CG2 C 21.791 0.300 1 933 80 80 THR N N 122.734 0.300 1 934 81 81 VAL H H 9.097 0.030 1 935 81 81 VAL HA H 4.898 0.030 1 936 81 81 VAL HB H 1.966 0.030 1 937 81 81 VAL HG1 H 0.924 0.030 1 938 81 81 VAL HG2 H 0.866 0.030 1 939 81 81 VAL C C 173.854 0.300 1 940 81 81 VAL CA C 60.915 0.300 1 941 81 81 VAL CB C 35.378 0.300 1 942 81 81 VAL CG1 C 21.780 0.300 2 943 81 81 VAL CG2 C 21.314 0.300 2 944 81 81 VAL N N 122.579 0.300 1 945 82 82 HIS H H 9.652 0.030 1 946 82 82 HIS HA H 5.469 0.030 1 947 82 82 HIS HB2 H 3.375 0.030 2 948 82 82 HIS HB3 H 3.049 0.030 2 949 82 82 HIS HD2 H 7.249 0.030 1 950 82 82 HIS HE1 H 8.523 0.030 1 951 82 82 HIS C C 173.310 0.300 1 952 82 82 HIS CA C 54.502 0.300 1 953 82 82 HIS CB C 29.761 0.300 1 954 82 82 HIS CD2 C 119.826 0.300 1 955 82 82 HIS CE1 C 136.638 0.300 1 956 82 82 HIS N N 127.916 0.300 1 957 83 83 LEU H H 8.946 0.030 1 958 83 83 LEU HA H 4.772 0.030 1 959 83 83 LEU HB2 H 1.600 0.030 2 960 83 83 LEU HB3 H 0.988 0.030 2 961 83 83 LEU HG H 1.471 0.030 1 962 83 83 LEU HD1 H 0.732 0.030 1 963 83 83 LEU HD2 H 0.860 0.030 1 964 83 83 LEU C C 174.813 0.300 1 965 83 83 LEU CA C 52.176 0.300 1 966 83 83 LEU CB C 43.734 0.300 1 967 83 83 LEU CG C 26.393 0.300 1 968 83 83 LEU CD1 C 26.112 0.300 2 969 83 83 LEU CD2 C 24.622 0.300 2 970 83 83 LEU N N 123.951 0.300 1 971 84 84 GLU H H 7.415 0.030 1 972 84 84 GLU HA H 4.374 0.030 1 973 84 84 GLU HB2 H 1.923 0.030 2 974 84 84 GLU HB3 H 1.858 0.030 2 975 84 84 GLU HG2 H 2.431 0.030 1 976 84 84 GLU HG3 H 2.431 0.030 1 977 84 84 GLU C C 175.470 0.300 1 978 84 84 GLU CA C 54.475 0.300 1 979 84 84 GLU CB C 30.420 0.300 1 980 84 84 GLU CG C 33.651 0.300 1 981 84 84 GLU N N 122.313 0.300 1 982 85 85 LYS H H 8.135 0.030 1 983 85 85 LYS HA H 4.104 0.030 1 984 85 85 LYS HB2 H 1.884 0.030 2 985 85 85 LYS HB3 H 1.413 0.030 2 986 85 85 LYS HG2 H 0.894 0.030 2 987 85 85 LYS HG3 H 0.644 0.030 2 988 85 85 LYS HD2 H 1.838 0.030 2 989 85 85 LYS HD3 H 1.713 0.030 2 990 85 85 LYS HE2 H 1.836 0.030 2 991 85 85 LYS HE3 H 0.935 0.030 2 992 85 85 LYS C C 176.300 0.300 1 993 85 85 LYS CA C 58.028 0.300 1 994 85 85 LYS CB C 34.600 0.300 1 995 85 85 LYS CG C 26.466 0.300 1 996 85 85 LYS CD C 30.722 0.300 1 997 85 85 LYS CE C 41.841 0.300 1 998 85 85 LYS N N 125.456 0.300 1 999 86 86 ILE H H 7.470 0.030 1 1000 86 86 ILE HA H 3.977 0.030 1 1001 86 86 ILE HB H 1.769 0.030 1 1002 86 86 ILE HG12 H 1.309 0.030 2 1003 86 86 ILE HG13 H 0.995 0.030 2 1004 86 86 ILE HG2 H 0.873 0.030 1 1005 86 86 ILE HD1 H 0.757 0.030 1 1006 86 86 ILE C C 176.448 0.300 1 1007 86 86 ILE CA C 63.429 0.300 1 1008 86 86 ILE CB C 36.339 0.300 1 1009 86 86 ILE CG1 C 28.177 0.300 1 1010 86 86 ILE CG2 C 16.749 0.300 1 1011 86 86 ILE CD1 C 11.133 0.300 1 1012 86 86 ILE N N 119.312 0.300 1 1013 87 87 ASN H H 8.886 0.030 1 1014 87 87 ASN HA H 4.772 0.030 1 1015 87 87 ASN HB2 H 3.110 0.030 2 1016 87 87 ASN HB3 H 2.824 0.030 2 1017 87 87 ASN HD21 H 7.499 0.030 2 1018 87 87 ASN HD22 H 7.007 0.030 2 1019 87 87 ASN C C 175.989 0.300 1 1020 87 87 ASN CA C 52.102 0.300 1 1021 87 87 ASN CB C 36.780 0.300 1 1022 87 87 ASN N N 117.180 0.300 1 1023 87 87 ASN ND2 N 110.690 0.300 1 1024 88 88 LYS H H 8.395 0.030 1 1025 88 88 LYS HA H 4.593 0.030 1 1026 88 88 LYS HB2 H 2.062 0.030 2 1027 88 88 LYS HB3 H 1.594 0.030 2 1028 88 88 LYS HG2 H 1.468 0.030 1 1029 88 88 LYS HG3 H 1.468 0.030 1 1030 88 88 LYS HD2 H 1.780 0.030 2 1031 88 88 LYS HD3 H 1.744 0.030 2 1032 88 88 LYS HE2 H 3.190 0.030 1 1033 88 88 LYS HE3 H 3.190 0.030 1 1034 88 88 LYS C C 174.386 0.300 1 1035 88 88 LYS CA C 56.698 0.300 1 1036 88 88 LYS CB C 31.620 0.300 1 1037 88 88 LYS CG C 25.750 0.300 1 1038 88 88 LYS CD C 29.954 0.300 1 1039 88 88 LYS CE C 42.725 0.300 1 1040 88 88 LYS N N 124.941 0.300 1 1041 89 89 MET H H 7.970 0.030 1 1042 89 89 MET HA H 4.773 0.030 1 1043 89 89 MET HB2 H 2.356 0.030 2 1044 89 89 MET HB3 H 1.970 0.030 2 1045 89 89 MET HG2 H 2.611 0.030 2 1046 89 89 MET HG3 H 2.427 0.030 2 1047 89 89 MET HE H 2.072 0.030 1 1048 89 89 MET C C 175.418 0.300 1 1049 89 89 MET CA C 53.823 0.300 1 1050 89 89 MET CB C 32.719 0.300 1 1051 89 89 MET CG C 32.644 0.300 1 1052 89 89 MET CE C 16.962 0.300 1 1053 89 89 MET N N 114.909 0.300 1 1054 90 90 GLU H H 7.084 0.030 1 1055 90 90 GLU HA H 4.725 0.030 1 1056 90 90 GLU HB2 H 2.240 0.030 2 1057 90 90 GLU HB3 H 1.867 0.030 2 1058 90 90 GLU HG2 H 2.390 0.030 2 1059 90 90 GLU HG3 H 2.217 0.030 2 1060 90 90 GLU C C 174.186 0.300 1 1061 90 90 GLU CA C 54.827 0.300 1 1062 90 90 GLU CB C 34.030 0.300 1 1063 90 90 GLU CG C 36.280 0.300 1 1064 90 90 GLU N N 120.470 0.300 1 1065 91 91 TRP H H 9.330 0.030 1 1066 91 91 TRP HA H 4.246 0.030 1 1067 91 91 TRP HB2 H 3.238 0.030 2 1068 91 91 TRP HB3 H 3.035 0.030 2 1069 91 91 TRP HD1 H 7.046 0.030 1 1070 91 91 TRP HE1 H 9.962 0.030 1 1071 91 91 TRP HE3 H 7.184 0.030 1 1072 91 91 TRP HZ2 H 7.422 0.030 1 1073 91 91 TRP HZ3 H 6.850 0.030 1 1074 91 91 TRP HH2 H 7.190 0.030 1 1075 91 91 TRP C C 176.245 0.300 1 1076 91 91 TRP CA C 56.471 0.300 1 1077 91 91 TRP CB C 29.664 0.300 1 1078 91 91 TRP CD1 C 127.295 0.300 1 1079 91 91 TRP CE3 C 119.096 0.300 1 1080 91 91 TRP CZ2 C 115.023 0.300 1 1081 91 91 TRP CZ3 C 121.353 0.300 1 1082 91 91 TRP CH2 C 124.880 0.300 1 1083 91 91 TRP N N 131.159 0.300 1 1084 91 91 TRP NE1 N 129.774 0.300 1 1085 92 92 TRP H H 9.961 0.030 1 1086 92 92 TRP HA H 4.179 0.030 1 1087 92 92 TRP HB2 H 3.090 0.030 2 1088 92 92 TRP HB3 H 2.931 0.030 2 1089 92 92 TRP HD1 H 6.967 0.030 1 1090 92 92 TRP HE1 H 11.325 0.030 1 1091 92 92 TRP HE3 H 7.723 0.030 1 1092 92 92 TRP HZ2 H 6.907 0.030 1 1093 92 92 TRP HZ3 H 7.160 0.030 1 1094 92 92 TRP HH2 H 7.088 0.030 1 1095 92 92 TRP C C 177.033 0.300 1 1096 92 92 TRP CA C 56.465 0.300 1 1097 92 92 TRP CB C 28.785 0.300 1 1098 92 92 TRP CD1 C 122.167 0.300 1 1099 92 92 TRP CE3 C 124.158 0.300 1 1100 92 92 TRP CZ2 C 113.318 0.300 1 1101 92 92 TRP CZ3 C 121.750 0.300 1 1102 92 92 TRP CH2 C 126.423 0.300 1 1103 92 92 TRP N N 129.721 0.300 1 1104 92 92 TRP NE1 N 129.065 0.300 1 1105 93 93 ASN H H 6.211 0.030 1 1106 93 93 ASN HA H 4.728 0.030 1 1107 93 93 ASN HB2 H 2.855 0.030 1 1108 93 93 ASN HB3 H 2.855 0.030 1 1109 93 93 ASN HD21 H 7.617 0.030 2 1110 93 93 ASN HD22 H 7.029 0.030 2 1111 93 93 ASN C C 173.607 0.300 1 1112 93 93 ASN CA C 54.085 0.300 1 1113 93 93 ASN CB C 39.041 0.300 1 1114 93 93 ASN N N 118.028 0.300 1 1115 93 93 ASN ND2 N 111.743 0.300 1 1116 94 94 ARG H H 7.141 0.030 1 1117 94 94 ARG HA H 4.596 0.030 1 1118 94 94 ARG HB2 H 2.126 0.030 2 1119 94 94 ARG HB3 H 1.628 0.030 2 1120 94 94 ARG HG2 H 1.514 0.030 2 1121 94 94 ARG HG3 H 1.280 0.030 2 1122 94 94 ARG HD2 H 3.249 0.030 2 1123 94 94 ARG HD3 H 3.172 0.030 2 1124 94 94 ARG HE H 7.172 0.030 1 1125 94 94 ARG C C 172.075 0.300 1 1126 94 94 ARG CA C 54.333 0.300 1 1127 94 94 ARG CB C 32.787 0.300 1 1128 94 94 ARG CG C 25.685 0.300 1 1129 94 94 ARG CD C 43.932 0.300 1 1130 94 94 ARG N N 113.514 0.300 1 1131 94 94 ARG NE N 114.895 0.300 1 1132 95 95 LEU H H 8.027 0.030 1 1133 95 95 LEU HA H 3.986 0.030 1 1134 95 95 LEU HB2 H 1.259 0.030 2 1135 95 95 LEU HB3 H -0.311 0.030 2 1136 95 95 LEU HG H 1.106 0.030 1 1137 95 95 LEU HD1 H 0.310 0.030 1 1138 95 95 LEU HD2 H 0.337 0.030 1 1139 95 95 LEU C C 175.786 0.300 1 1140 95 95 LEU CA C 57.412 0.300 1 1141 95 95 LEU CB C 42.023 0.300 1 1142 95 95 LEU CG C 26.961 0.300 1 1143 95 95 LEU CD1 C 26.924 0.300 2 1144 95 95 LEU CD2 C 23.699 0.300 2 1145 95 95 LEU N N 119.537 0.300 1 1146 96 96 VAL H H 6.832 0.030 1 1147 96 96 VAL HA H 5.185 0.030 1 1148 96 96 VAL HB H 1.873 0.030 1 1149 96 96 VAL HG1 H 0.466 0.030 1 1150 96 96 VAL HG2 H 0.642 0.030 1 1151 96 96 VAL C C 177.584 0.300 1 1152 96 96 VAL CA C 57.250 0.300 1 1153 96 96 VAL CB C 35.484 0.300 1 1154 96 96 VAL CG1 C 21.557 0.300 2 1155 96 96 VAL CG2 C 18.516 0.300 2 1156 96 96 VAL N N 105.515 0.300 1 1157 97 97 THR H H 8.629 0.030 1 1158 97 97 THR HA H 4.070 0.030 1 1159 97 97 THR HB H 4.210 0.030 1 1160 97 97 THR HG2 H 1.002 0.030 1 1161 97 97 THR C C 174.532 0.300 1 1162 97 97 THR CA C 62.741 0.300 1 1163 97 97 THR CB C 69.082 0.300 1 1164 97 97 THR CG2 C 21.935 0.300 1 1165 97 97 THR N N 113.105 0.300 1 1166 98 98 SER H H 7.815 0.030 1 1167 98 98 SER HA H 4.479 0.030 1 1168 98 98 SER HB2 H 3.987 0.030 2 1169 98 98 SER HB3 H 3.843 0.030 2 1170 98 98 SER C C 173.938 0.300 1 1171 98 98 SER CA C 57.949 0.300 1 1172 98 98 SER CB C 63.885 0.300 1 1173 98 98 SER N N 114.851 0.300 1 1174 99 99 ASP H H 8.147 0.030 1 1175 99 99 ASP HA H 4.975 0.030 1 1176 99 99 ASP HB2 H 2.856 0.030 2 1177 99 99 ASP HB3 H 2.650 0.030 2 1178 99 99 ASP C C 174.267 0.300 1 1179 99 99 ASP CA C 52.865 0.300 1 1180 99 99 ASP CB C 40.813 0.300 1 1181 99 99 ASP N N 123.925 0.300 1 1182 100 100 PRO HA H 4.453 0.030 1 1183 100 100 PRO HB2 H 2.310 0.030 2 1184 100 100 PRO HB3 H 1.923 0.030 2 1185 100 100 PRO HG2 H 2.037 0.030 1 1186 100 100 PRO HG3 H 2.037 0.030 1 1187 100 100 PRO HD2 H 3.891 0.030 2 1188 100 100 PRO HD3 H 3.744 0.030 2 1189 100 100 PRO C C 176.793 0.300 1 1190 100 100 PRO CA C 63.177 0.300 1 1191 100 100 PRO CB C 32.157 0.300 1 1192 100 100 PRO CG C 27.461 0.300 1 1193 100 100 PRO CD C 50.605 0.300 1 1194 101 101 GLU H H 8.497 0.030 1 1195 101 101 GLU HA H 4.304 0.030 1 1196 101 101 GLU HB2 H 2.038 0.030 2 1197 101 101 GLU HB3 H 1.969 0.030 2 1198 101 101 GLU HG2 H 2.334 0.030 2 1199 101 101 GLU HG3 H 2.261 0.030 2 1200 101 101 GLU C C 176.807 0.300 1 1201 101 101 GLU CA C 56.558 0.300 1 1202 101 101 GLU CB C 29.937 0.300 1 1203 101 101 GLU CG C 35.839 0.300 1 1204 101 101 GLU N N 120.572 0.300 1 1205 102 102 ILE H H 8.247 0.030 1 1206 102 102 ILE HA H 4.186 0.030 1 1207 102 102 ILE HB H 1.885 0.030 1 1208 102 102 ILE HG12 H 1.474 0.030 2 1209 102 102 ILE HG13 H 1.195 0.030 2 1210 102 102 ILE HG2 H 0.910 0.030 1 1211 102 102 ILE HD1 H 0.850 0.030 1 1212 102 102 ILE C C 175.935 0.300 1 1213 102 102 ILE CA C 61.336 0.300 1 1214 102 102 ILE CB C 38.891 0.300 1 1215 102 102 ILE CG1 C 27.248 0.300 1 1216 102 102 ILE CG2 C 17.664 0.300 1 1217 102 102 ILE CD1 C 13.239 0.300 1 1218 102 102 ILE N N 121.624 0.300 1 1219 103 103 ASN H H 8.535 0.030 1 1220 103 103 ASN HA H 4.798 0.030 1 1221 103 103 ASN HB2 H 2.871 0.030 2 1222 103 103 ASN HB3 H 2.780 0.030 2 1223 103 103 ASN HD21 H 7.611 0.030 2 1224 103 103 ASN HD22 H 6.927 0.030 2 1225 103 103 ASN C C 175.574 0.300 1 1226 103 103 ASN CA C 53.263 0.300 1 1227 103 103 ASN CB C 38.877 0.300 1 1228 103 103 ASN N N 122.148 0.300 1 1229 103 103 ASN ND2 N 112.561 0.300 1 1230 104 104 THR H H 8.141 0.030 1 1231 104 104 THR HA H 4.271 0.030 1 1232 104 104 THR HB H 4.255 0.030 1 1233 104 104 THR HG2 H 1.183 0.030 1 1234 104 104 THR C C 174.589 0.300 1 1235 104 104 THR CA C 62.114 0.300 1 1236 104 104 THR CB C 69.614 0.300 1 1237 104 104 THR CG2 C 21.776 0.300 1 1238 104 104 THR N N 114.856 0.300 1 1239 105 105 LYS H H 8.200 0.030 1 1240 105 105 LYS HA H 4.271 0.030 1 1241 105 105 LYS HB2 H 1.801 0.030 2 1242 105 105 LYS HB3 H 1.744 0.030 2 1243 105 105 LYS HG2 H 1.405 0.030 2 1244 105 105 LYS HG3 H 1.359 0.030 2 1245 105 105 LYS HD2 H 1.646 0.030 1 1246 105 105 LYS HD3 H 1.646 0.030 1 1247 105 105 LYS HE2 H 2.971 0.030 1 1248 105 105 LYS HE3 H 2.971 0.030 1 1249 105 105 LYS C C 176.291 0.300 1 1250 105 105 LYS CA C 56.444 0.300 1 1251 105 105 LYS CB C 32.886 0.300 1 1252 105 105 LYS CG C 24.808 0.300 1 1253 105 105 LYS CD C 29.082 0.300 1 1254 105 105 LYS CE C 42.157 0.300 1 1255 105 105 LYS N N 123.197 0.300 1 1256 106 106 LYS H H 8.176 0.030 1 1257 106 106 LYS HA H 4.271 0.030 1 1258 106 106 LYS HB2 H 1.775 0.030 2 1259 106 106 LYS HB3 H 1.688 0.030 2 1260 106 106 LYS HG2 H 1.395 0.030 2 1261 106 106 LYS HG3 H 1.345 0.030 2 1262 106 106 LYS HD2 H 1.650 0.030 1 1263 106 106 LYS HD3 H 1.650 0.030 1 1264 106 106 LYS HE2 H 2.975 0.030 1 1265 106 106 LYS HE3 H 2.975 0.030 1 1266 106 106 LYS C C 176.163 0.300 1 1267 106 106 LYS CA C 56.153 0.300 1 1268 106 106 LYS CB C 33.025 0.300 1 1269 106 106 LYS CG C 24.764 0.300 1 1270 106 106 LYS CD C 29.094 0.300 1 1271 106 106 LYS CE C 42.157 0.300 1 1272 106 106 LYS N N 122.609 0.300 1 1273 107 107 ILE H H 8.099 0.030 1 1274 107 107 ILE HA H 4.116 0.030 1 1275 107 107 ILE HB H 1.782 0.030 1 1276 107 107 ILE HG12 H 1.416 0.030 2 1277 107 107 ILE HG13 H 1.135 0.030 2 1278 107 107 ILE HG2 H 0.831 0.030 1 1279 107 107 ILE HD1 H 0.807 0.030 1 1280 107 107 ILE C C 175.552 0.300 1 1281 107 107 ILE CA C 60.799 0.300 1 1282 107 107 ILE CB C 38.850 0.300 1 1283 107 107 ILE CG1 C 27.248 0.300 1 1284 107 107 ILE CG2 C 17.522 0.300 1 1285 107 107 ILE CD1 C 12.845 0.300 1 1286 107 107 ILE N N 122.286 0.300 1 1287 108 108 ASN H H 8.541 0.030 1 1288 108 108 ASN HA H 4.974 0.030 1 1289 108 108 ASN HB2 H 2.867 0.030 2 1290 108 108 ASN HB3 H 2.684 0.030 2 1291 108 108 ASN HD21 H 7.605 0.030 2 1292 108 108 ASN HD22 H 6.957 0.030 2 1293 108 108 ASN C C 173.529 0.300 1 1294 108 108 ASN CA C 51.194 0.300 1 1295 108 108 ASN CB C 38.816 0.300 1 1296 108 108 ASN N N 124.006 0.300 1 1297 108 108 ASN ND2 N 112.956 0.300 1 1298 109 109 PRO HA H 4.374 0.030 1 1299 109 109 PRO HB2 H 2.276 0.030 2 1300 109 109 PRO HB3 H 1.956 0.030 2 1301 109 109 PRO HG2 H 2.003 0.030 1 1302 109 109 PRO HG3 H 2.003 0.030 1 1303 109 109 PRO HD2 H 3.810 0.030 2 1304 109 109 PRO HD3 H 3.757 0.030 2 1305 109 109 PRO C C 177.154 0.300 1 1306 109 109 PRO CA C 63.660 0.300 1 1307 109 109 PRO CB C 32.102 0.300 1 1308 109 109 PRO CG C 27.164 0.300 1 1309 109 109 PRO CD C 50.839 0.300 1 1310 110 110 GLU H H 8.467 0.030 1 1311 110 110 GLU HA H 4.221 0.030 1 1312 110 110 GLU HB2 H 2.049 0.030 2 1313 110 110 GLU HB3 H 1.943 0.030 2 1314 110 110 GLU HG2 H 2.320 0.030 2 1315 110 110 GLU HG3 H 2.287 0.030 2 1316 110 110 GLU C C 176.478 0.300 1 1317 110 110 GLU CA C 56.903 0.300 1 1318 110 110 GLU CB C 29.584 0.300 1 1319 110 110 GLU CG C 35.597 0.300 1 1320 110 110 GLU N N 119.683 0.300 1 1321 111 111 ASN H H 8.274 0.030 1 1322 111 111 ASN HA H 4.703 0.030 1 1323 111 111 ASN HB2 H 2.867 0.030 2 1324 111 111 ASN HB3 H 2.774 0.030 2 1325 111 111 ASN HD21 H 7.603 0.030 2 1326 111 111 ASN HD22 H 6.913 0.030 2 1327 111 111 ASN C C 175.397 0.300 1 1328 111 111 ASN CA C 53.411 0.300 1 1329 111 111 ASN CB C 38.822 0.300 1 1330 111 111 ASN N N 118.796 0.300 1 1331 111 111 ASN ND2 N 112.336 0.300 1 1332 112 112 SER H H 8.194 0.030 1 1333 112 112 SER HA H 4.395 0.030 1 1334 112 112 SER HB2 H 3.888 0.030 2 1335 112 112 SER HB3 H 3.842 0.030 2 1336 112 112 SER C C 174.488 0.300 1 1337 112 112 SER CA C 58.821 0.300 1 1338 112 112 SER CB C 63.820 0.300 1 1339 112 112 SER N N 116.173 0.300 1 1340 113 113 LYS H H 8.286 0.030 1 1341 113 113 LYS HA H 4.343 0.030 1 1342 113 113 LYS HB2 H 1.859 0.030 2 1343 113 113 LYS HB3 H 1.751 0.030 2 1344 113 113 LYS HG2 H 1.443 0.030 2 1345 113 113 LYS HG3 H 1.403 0.030 2 1346 113 113 LYS HD2 H 1.665 0.030 1 1347 113 113 LYS HD3 H 1.665 0.030 1 1348 113 113 LYS HE2 H 2.977 0.030 1 1349 113 113 LYS HE3 H 2.977 0.030 1 1350 113 113 LYS C C 176.725 0.300 1 1351 113 113 LYS CA C 56.417 0.300 1 1352 113 113 LYS CB C 32.849 0.300 1 1353 113 113 LYS CG C 24.756 0.300 1 1354 113 113 LYS CD C 29.092 0.300 1 1355 113 113 LYS CE C 42.200 0.300 1 1356 113 113 LYS N N 122.699 0.300 1 1357 114 114 LEU H H 8.183 0.030 1 1358 114 114 LEU HA H 4.327 0.030 1 1359 114 114 LEU HB2 H 1.651 0.030 2 1360 114 114 LEU HB3 H 1.588 0.030 2 1361 114 114 LEU HG H 1.629 0.030 1 1362 114 114 LEU HD1 H 0.914 0.030 1 1363 114 114 LEU HD2 H 0.858 0.030 1 1364 114 114 LEU C C 177.570 0.300 1 1365 114 114 LEU CA C 55.560 0.300 1 1366 114 114 LEU CB C 42.236 0.300 1 1367 114 114 LEU CG C 27.073 0.300 1 1368 114 114 LEU CD1 C 25.033 0.300 2 1369 114 114 LEU CD2 C 23.451 0.300 2 1370 114 114 LEU N N 122.772 0.300 1 1371 115 115 SER H H 8.226 0.030 1 1372 115 115 SER HA H 4.414 0.030 1 1373 115 115 SER HB2 H 3.897 0.030 2 1374 115 115 SER HB3 H 3.833 0.030 2 1375 115 115 SER C C 174.479 0.300 1 1376 115 115 SER CA C 58.473 0.300 1 1377 115 115 SER CB C 63.948 0.300 1 1378 115 115 SER N N 115.606 0.300 1 1379 116 116 ASP H H 8.313 0.030 1 1380 116 116 ASP HA H 4.615 0.030 1 1381 116 116 ASP HB2 H 2.756 0.030 2 1382 116 116 ASP HB3 H 2.678 0.030 2 1383 116 116 ASP C C 176.333 0.300 1 1384 116 116 ASP CA C 54.545 0.300 1 1385 116 116 ASP CB C 40.531 0.300 1 1386 116 116 ASP N N 122.042 0.300 1 1387 117 117 LEU H H 8.095 0.030 1 1388 117 117 LEU HA H 4.268 0.030 1 1389 117 117 LEU HB2 H 1.640 0.030 2 1390 117 117 LEU HB3 H 1.583 0.030 2 1391 117 117 LEU HG H 1.631 0.030 1 1392 117 117 LEU HD1 H 0.905 0.030 1 1393 117 117 LEU HD2 H 0.844 0.030 1 1394 117 117 LEU C C 177.670 0.300 1 1395 117 117 LEU CA C 55.856 0.300 1 1396 117 117 LEU CB C 42.271 0.300 1 1397 117 117 LEU CG C 26.979 0.300 1 1398 117 117 LEU CD1 C 24.985 0.300 2 1399 117 117 LEU CD2 C 23.438 0.300 2 1400 117 117 LEU N N 121.542 0.300 1 1401 118 118 ASP H H 8.240 0.030 1 1402 118 118 ASP HA H 4.609 0.030 1 1403 118 118 ASP HB2 H 2.767 0.030 2 1404 118 118 ASP HB3 H 2.719 0.030 2 1405 118 118 ASP C C 176.505 0.300 1 1406 118 118 ASP CA C 54.641 0.300 1 1407 118 118 ASP CB C 40.664 0.300 1 1408 118 118 ASP N N 120.127 0.300 1 1409 119 119 SER H H 8.157 0.030 1 1410 119 119 SER HA H 4.329 0.030 1 1411 119 119 SER HB2 H 3.929 0.030 2 1412 119 119 SER HB3 H 3.857 0.030 2 1413 119 119 SER C C 175.202 0.300 1 1414 119 119 SER CA C 59.339 0.300 1 1415 119 119 SER CB C 63.627 0.300 1 1416 119 119 SER N N 115.669 0.300 1 1417 120 120 GLU H H 8.347 0.030 1 1418 120 120 GLU HA H 4.327 0.030 1 1419 120 120 GLU HB2 H 2.121 0.030 2 1420 120 120 GLU HB3 H 2.028 0.030 2 1421 120 120 GLU HG2 H 2.376 0.030 2 1422 120 120 GLU HG3 H 2.333 0.030 2 1423 120 120 GLU C C 176.996 0.300 1 1424 120 120 GLU CA C 57.044 0.300 1 1425 120 120 GLU CB C 29.523 0.300 1 1426 120 120 GLU CG C 35.154 0.300 1 1427 120 120 GLU N N 121.973 0.300 1 1428 121 121 THR H H 8.113 0.030 1 1429 121 121 THR HA H 4.271 0.030 1 1430 121 121 THR HB H 4.212 0.030 1 1431 121 121 THR HG2 H 1.205 0.030 1 1432 121 121 THR C C 174.927 0.300 1 1433 121 121 THR CA C 62.702 0.300 1 1434 121 121 THR CB C 69.518 0.300 1 1435 121 121 THR CG2 C 21.761 0.300 1 1436 121 121 THR N N 114.694 0.300 1 1437 122 122 ARG H H 8.234 0.030 1 1438 122 122 ARG HA H 4.339 0.030 1 1439 122 122 ARG HB2 H 1.863 0.030 2 1440 122 122 ARG HB3 H 1.782 0.030 2 1441 122 122 ARG HG2 H 1.624 0.030 1 1442 122 122 ARG HG3 H 1.624 0.030 1 1443 122 122 ARG HD2 H 3.177 0.030 1 1444 122 122 ARG HD3 H 3.177 0.030 1 1445 122 122 ARG HE H 7.212 0.030 1 1446 122 122 ARG C C 176.366 0.300 1 1447 122 122 ARG CA C 56.457 0.300 1 1448 122 122 ARG CB C 30.765 0.300 1 1449 122 122 ARG CG C 27.177 0.300 1 1450 122 122 ARG CD C 43.383 0.300 1 1451 122 122 ARG N N 123.095 0.300 1 1452 122 122 ARG NE N 115.135 0.300 1 1453 123 123 SER H H 8.261 0.030 1 1454 123 123 SER HA H 4.416 0.030 1 1455 123 123 SER HB2 H 3.858 0.030 1 1456 123 123 SER HB3 H 3.858 0.030 1 1457 123 123 SER C C 174.591 0.300 1 1458 123 123 SER CA C 58.564 0.300 1 1459 123 123 SER CB C 63.709 0.300 1 1460 123 123 SER N N 116.355 0.300 1 1461 124 124 MET H H 8.321 0.030 1 1462 124 124 MET HA H 4.508 0.030 1 1463 124 124 MET HB2 H 2.097 0.030 2 1464 124 124 MET HB3 H 1.992 0.030 2 1465 124 124 MET HG2 H 2.578 0.030 2 1466 124 124 MET HG3 H 2.512 0.030 2 1467 124 124 MET HE H 2.106 0.030 1 1468 124 124 MET C C 176.180 0.300 1 1469 124 124 MET CA C 55.663 0.300 1 1470 124 124 MET CB C 32.951 0.300 1 1471 124 124 MET CG C 32.020 0.300 1 1472 124 124 MET CE C 16.988 0.300 1 1473 124 124 MET N N 122.288 0.300 1 1474 125 125 VAL H H 8.071 0.030 1 1475 125 125 VAL HA H 4.175 0.030 1 1476 125 125 VAL HB H 2.087 0.030 1 1477 125 125 VAL HG1 H 0.926 0.030 1 1478 125 125 VAL HG2 H 0.920 0.030 1 1479 125 125 VAL C C 176.054 0.300 1 1480 125 125 VAL CA C 62.292 0.300 1 1481 125 125 VAL CB C 32.873 0.300 1 1482 125 125 VAL CG1 C 21.173 0.300 2 1483 125 125 VAL CG2 C 20.404 0.300 2 1484 125 125 VAL N N 120.418 0.300 1 1485 126 126 SER H H 8.346 0.030 1 1486 126 126 SER HA H 4.507 0.030 1 1487 126 126 SER HB2 H 3.847 0.030 1 1488 126 126 SER HB3 H 3.847 0.030 1 1489 126 126 SER C C 174.423 0.300 1 1490 126 126 SER CA C 58.230 0.300 1 1491 126 126 SER CB C 64.067 0.300 1 1492 126 126 SER N N 119.407 0.300 1 1493 127 127 GLY H H 8.214 0.030 1 1494 127 127 GLY HA2 H 4.152 0.030 2 1495 127 127 GLY HA3 H 4.068 0.030 2 1496 127 127 GLY C C 171.687 0.300 1 1497 127 127 GLY CA C 44.669 0.300 1 1498 127 127 GLY N N 110.779 0.300 1 1499 128 128 PRO HA H 4.467 0.030 1 1500 128 128 PRO HB2 H 2.290 0.030 2 1501 128 128 PRO HB3 H 1.966 0.030 2 1502 128 128 PRO HG2 H 2.006 0.030 1 1503 128 128 PRO HG3 H 2.006 0.030 1 1504 128 128 PRO HD2 H 3.602 0.030 1 1505 128 128 PRO HD3 H 3.602 0.030 1 1506 128 128 PRO C C 177.350 0.300 1 1507 128 128 PRO CA C 63.274 0.300 1 1508 128 128 PRO CB C 32.218 0.300 1 1509 128 128 PRO CG C 27.169 0.300 1 1510 128 128 PRO CD C 49.777 0.300 1 1511 129 129 SER H H 8.506 0.030 1 1512 129 129 SER HA H 4.493 0.030 1 1513 129 129 SER HB2 H 3.916 0.030 1 1514 129 129 SER HB3 H 3.916 0.030 1 1515 129 129 SER C C 174.635 0.300 1 1516 129 129 SER CA C 58.344 0.300 1 1517 129 129 SER CB C 63.837 0.300 1 1518 129 129 SER N N 116.329 0.300 1 1519 130 130 SER H H 8.308 0.030 1 1520 130 130 SER HA H 4.480 0.030 1 1521 130 130 SER HB2 H 3.846 0.030 1 1522 130 130 SER HB3 H 3.846 0.030 1 1523 130 130 SER C C 173.923 0.300 1 1524 130 130 SER CA C 58.403 0.300 1 1525 130 130 SER CB C 64.188 0.300 1 1526 130 130 SER N N 117.735 0.300 1 1527 131 131 GLY H H 8.045 0.030 1 1528 131 131 GLY HA2 H 3.778 0.030 1 1529 131 131 GLY HA3 H 3.778 0.030 1 1530 131 131 GLY C C 178.789 0.300 1 1531 131 131 GLY CA C 46.126 0.300 1 1532 131 131 GLY N N 116.548 0.300 1 stop_ save_