data_10060 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of hypothetical protein C330018D20Rik from Mus musculus ; _BMRB_accession_number 10060 _BMRB_flat_file_name bmr10060.str _Entry_type original _Submission_date 2006-11-29 _Accession_date 2006-11-30 _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 Sato M. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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" 593 "13C chemical shifts" 434 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of hypothetical protein C330018D20Rik from Mus musculus' _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 Sato M. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 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 'C330018D20rik protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C330018D20rik protein' $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 'glutaredoxin domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GSSGSSGNLSASNRALPVLT LFTKAPCPLCDEAKEVLQPY KDRFILQEVDITLPENSTWY ERYKFDIPVFHLNGQFLMMH RVNTSKLEKQLRKLSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 LEU 10 SER 11 ALA 12 SER 13 ASN 14 ARG 15 ALA 16 LEU 17 PRO 18 VAL 19 LEU 20 THR 21 LEU 22 PHE 23 THR 24 LYS 25 ALA 26 PRO 27 CYS 28 PRO 29 LEU 30 CYS 31 ASP 32 GLU 33 ALA 34 LYS 35 GLU 36 VAL 37 LEU 38 GLN 39 PRO 40 TYR 41 LYS 42 ASP 43 ARG 44 PHE 45 ILE 46 LEU 47 GLN 48 GLU 49 VAL 50 ASP 51 ILE 52 THR 53 LEU 54 PRO 55 GLU 56 ASN 57 SER 58 THR 59 TRP 60 TYR 61 GLU 62 ARG 63 TYR 64 LYS 65 PHE 66 ASP 67 ILE 68 PRO 69 VAL 70 PHE 71 HIS 72 LEU 73 ASN 74 GLY 75 GLN 76 PHE 77 LEU 78 MET 79 MET 80 HIS 81 ARG 82 VAL 83 ASN 84 THR 85 SER 86 LYS 87 LEU 88 GLU 89 LYS 90 GLN 91 LEU 92 ARG 93 LYS 94 LEU 95 SER 96 GLY 97 PRO 98 SER 99 SER 100 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 1WJK "Solution Structure Of Hypothetical Protein C330018d20rik From Mus Musculus" 100.00 100 100.00 100.00 1.76e-67 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 P031125-30 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 0.6 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 100 mM . d-DTT 10 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 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 0.8996 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 Bruker _Model AVANCE _Field_strength 600 _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 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 'C330018D20rik protein' _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 5 5 SER HA H 4.508 0.030 1 2 5 5 SER HB2 H 3.898 0.030 1 3 5 5 SER HB3 H 3.898 0.030 1 4 5 5 SER C C 174.844 0.300 1 5 5 5 SER CA C 58.416 0.300 1 6 5 5 SER CB C 63.741 0.300 1 7 6 6 SER H H 8.432 0.030 1 8 6 6 SER HA H 4.482 0.030 1 9 6 6 SER HB2 H 3.898 0.030 1 10 6 6 SER HB3 H 3.898 0.030 1 11 6 6 SER C C 175.047 0.300 1 12 6 6 SER CA C 58.683 0.300 1 13 6 6 SER CB C 63.641 0.300 1 14 6 6 SER N N 117.846 0.300 1 15 7 7 GLY H H 8.386 0.030 1 16 7 7 GLY HA2 H 4.022 0.030 2 17 7 7 GLY HA3 H 3.956 0.030 2 18 7 7 GLY C C 173.924 0.300 1 19 7 7 GLY CA C 45.422 0.300 1 20 7 7 GLY N N 110.475 0.300 1 21 8 8 ASN H H 8.306 0.030 1 22 8 8 ASN HA H 4.644 0.030 1 23 8 8 ASN HB2 H 2.836 0.030 2 24 8 8 ASN HB3 H 2.681 0.030 2 25 8 8 ASN C C 175.453 0.300 1 26 8 8 ASN CA C 53.257 0.300 1 27 8 8 ASN CB C 38.735 0.300 1 28 8 8 ASN N N 118.827 0.300 1 29 9 9 LEU H H 8.307 0.030 1 30 9 9 LEU HA H 4.339 0.030 1 31 9 9 LEU HB2 H 1.640 0.030 1 32 9 9 LEU HB3 H 1.640 0.030 1 33 9 9 LEU HG H 1.614 0.030 1 34 9 9 LEU HD1 H 0.875 0.030 1 35 9 9 LEU HD2 H 0.875 0.030 1 36 9 9 LEU C C 177.640 0.300 1 37 9 9 LEU CA C 55.521 0.300 1 38 9 9 LEU CB C 42.233 0.300 1 39 9 9 LEU CG C 26.946 0.300 1 40 9 9 LEU CD1 C 25.133 0.300 2 41 9 9 LEU CD2 C 23.237 0.300 2 42 9 9 LEU N N 122.788 0.300 1 43 10 10 SER H H 8.294 0.030 1 44 10 10 SER HA H 4.361 0.030 1 45 10 10 SER HB2 H 3.898 0.030 1 46 10 10 SER HB3 H 3.898 0.030 1 47 10 10 SER C C 174.538 0.300 1 48 10 10 SER CA C 58.486 0.300 1 49 10 10 SER CB C 63.582 0.300 1 50 10 10 SER N N 116.370 0.300 1 51 11 11 ALA H H 8.304 0.030 1 52 11 11 ALA HA H 4.329 0.030 1 53 11 11 ALA HB H 1.407 0.030 1 54 11 11 ALA C C 177.952 0.300 1 55 11 11 ALA CA C 52.795 0.300 1 56 11 11 ALA CB C 19.137 0.300 1 57 11 11 ALA N N 125.648 0.300 1 58 12 12 SER H H 8.211 0.030 1 59 12 12 SER HA H 4.378 0.030 1 60 12 12 SER HB2 H 3.846 0.030 1 61 12 12 SER HB3 H 3.846 0.030 1 62 12 12 SER C C 174.472 0.300 1 63 12 12 SER CA C 58.576 0.300 1 64 12 12 SER CB C 63.515 0.300 1 65 12 12 SER N N 114.328 0.300 1 66 13 13 ASN H H 8.308 0.030 1 67 13 13 ASN HA H 4.702 0.030 1 68 13 13 ASN HB2 H 2.837 0.030 2 69 13 13 ASN HB3 H 2.758 0.030 2 70 13 13 ASN C C 174.980 0.300 1 71 13 13 ASN CA C 53.347 0.300 1 72 13 13 ASN CB C 38.775 0.300 1 73 13 13 ASN N N 120.594 0.300 1 74 14 14 ARG H H 8.144 0.030 1 75 14 14 ARG HA H 4.312 0.030 1 76 14 14 ARG HB2 H 1.855 0.030 2 77 14 14 ARG HB3 H 1.735 0.030 2 78 14 14 ARG HG2 H 1.628 0.030 1 79 14 14 ARG HG3 H 1.628 0.030 1 80 14 14 ARG HD2 H 3.184 0.030 1 81 14 14 ARG HD3 H 3.184 0.030 1 82 14 14 ARG C C 175.658 0.300 1 83 14 14 ARG CA C 55.970 0.300 1 84 14 14 ARG CB C 30.861 0.300 1 85 14 14 ARG CG C 26.856 0.300 1 86 14 14 ARG CD C 43.512 0.300 1 87 14 14 ARG N N 121.005 0.300 1 88 15 15 ALA H H 8.308 0.030 1 89 15 15 ALA HA H 4.341 0.030 1 90 15 15 ALA HB H 1.360 0.030 1 91 15 15 ALA C C 177.273 0.300 1 92 15 15 ALA CA C 52.052 0.300 1 93 15 15 ALA CB C 19.323 0.300 1 94 15 15 ALA N N 125.522 0.300 1 95 16 16 LEU H H 7.993 0.030 1 96 16 16 LEU HA H 4.569 0.030 1 97 16 16 LEU HB2 H 1.583 0.030 2 98 16 16 LEU HB3 H 1.303 0.030 2 99 16 16 LEU HG H 1.640 0.030 1 100 16 16 LEU HD1 H 0.786 0.030 1 101 16 16 LEU HD2 H 0.717 0.030 1 102 16 16 LEU C C 174.417 0.300 1 103 16 16 LEU CA C 52.955 0.300 1 104 16 16 LEU CB C 42.869 0.300 1 105 16 16 LEU CG C 26.878 0.300 1 106 16 16 LEU CD1 C 23.034 0.300 2 107 16 16 LEU CD2 C 25.594 0.300 2 108 16 16 LEU N N 122.694 0.300 1 109 17 17 PRO HA H 4.767 0.030 1 110 17 17 PRO HB2 H 2.263 0.030 2 111 17 17 PRO HB3 H 1.666 0.030 2 112 17 17 PRO HG2 H 2.098 0.030 1 113 17 17 PRO HG3 H 2.098 0.030 1 114 17 17 PRO HD2 H 3.959 0.030 2 115 17 17 PRO HD3 H 3.883 0.030 2 116 17 17 PRO CA C 62.139 0.300 1 117 17 17 PRO CB C 33.031 0.300 1 118 17 17 PRO CG C 27.565 0.300 1 119 17 17 PRO CD C 50.271 0.300 1 120 18 18 VAL H H 8.308 0.030 1 121 18 18 VAL HA H 4.601 0.030 1 122 18 18 VAL HB H 1.970 0.030 1 123 18 18 VAL HG1 H 0.717 0.030 1 124 18 18 VAL HG2 H 0.939 0.030 1 125 18 18 VAL CA C 61.461 0.300 1 126 18 18 VAL CB C 33.573 0.300 1 127 18 18 VAL CG1 C 20.811 0.300 2 128 18 18 VAL CG2 C 21.235 0.300 2 129 18 18 VAL N N 118.851 0.300 1 130 19 19 LEU H H 9.591 0.030 1 131 19 19 LEU HA H 5.136 0.030 1 132 19 19 LEU HB2 H 1.490 0.030 2 133 19 19 LEU HB3 H 0.361 0.030 2 134 19 19 LEU HG H 1.151 0.030 1 135 19 19 LEU HD1 H 0.409 0.030 1 136 19 19 LEU HD2 H 0.110 0.030 1 137 19 19 LEU C C 174.417 0.300 1 138 19 19 LEU CA C 53.091 0.300 1 139 19 19 LEU CB C 43.947 0.300 1 140 19 19 LEU CG C 27.134 0.300 1 141 19 19 LEU CD1 C 24.856 0.300 2 142 19 19 LEU CD2 C 25.809 0.300 2 143 19 19 LEU N N 136.094 0.300 1 144 20 20 THR H H 9.005 0.030 1 145 20 20 THR HA H 4.806 0.030 1 146 20 20 THR HB H 3.412 0.030 1 147 20 20 THR HG2 H 0.103 0.030 1 148 20 20 THR C C 171.948 0.300 1 149 20 20 THR CA C 61.882 0.300 1 150 20 20 THR CB C 69.503 0.300 1 151 20 20 THR CG2 C 22.465 0.300 1 152 20 20 THR N N 124.569 0.300 1 153 21 21 LEU H H 8.537 0.030 1 154 21 21 LEU HA H 4.478 0.030 1 155 21 21 LEU HB2 H 1.368 0.030 2 156 21 21 LEU HB3 H 0.789 0.030 2 157 21 21 LEU HG H 1.147 0.030 1 158 21 21 LEU HD1 H 0.083 0.030 1 159 21 21 LEU HD2 H 0.530 0.030 1 160 21 21 LEU C C 173.510 0.300 1 161 21 21 LEU CA C 52.286 0.300 1 162 21 21 LEU CB C 44.749 0.300 1 163 21 21 LEU CG C 27.110 0.300 1 164 21 21 LEU CD1 C 23.537 0.300 2 165 21 21 LEU CD2 C 26.205 0.300 2 166 21 21 LEU N N 129.778 0.300 1 167 22 22 PHE H H 8.896 0.030 1 168 22 22 PHE HA H 5.044 0.030 1 169 22 22 PHE HB2 H 2.561 0.030 1 170 22 22 PHE HB3 H 2.561 0.030 1 171 22 22 PHE HD1 H 6.417 0.030 1 172 22 22 PHE HD2 H 6.417 0.030 1 173 22 22 PHE HE1 H 5.112 0.030 1 174 22 22 PHE HE2 H 5.112 0.030 1 175 22 22 PHE HZ H 5.518 0.030 1 176 22 22 PHE C C 175.332 0.300 1 177 22 22 PHE CA C 57.300 0.300 1 178 22 22 PHE CB C 38.979 0.300 1 179 22 22 PHE CD1 C 130.509 0.300 1 180 22 22 PHE CD2 C 130.509 0.300 1 181 22 22 PHE CE1 C 129.330 0.300 1 182 22 22 PHE CE2 C 129.330 0.300 1 183 22 22 PHE CZ C 129.330 0.300 1 184 22 22 PHE N N 127.014 0.300 1 185 23 23 THR H H 8.720 0.030 1 186 23 23 THR HA H 4.884 0.030 1 187 23 23 THR HB H 4.008 0.030 1 188 23 23 THR HG2 H 0.902 0.030 1 189 23 23 THR C C 172.198 0.300 1 190 23 23 THR CA C 59.223 0.300 1 191 23 23 THR CB C 72.145 0.300 1 192 23 23 THR CG2 C 20.600 0.300 1 193 23 23 THR N N 113.785 0.300 1 194 24 24 LYS H H 7.702 0.030 1 195 24 24 LYS HA H 4.573 0.030 1 196 24 24 LYS HB2 H 1.831 0.030 2 197 24 24 LYS HB3 H 1.711 0.030 2 198 24 24 LYS HG2 H 1.253 0.030 2 199 24 24 LYS HG3 H 1.109 0.030 2 200 24 24 LYS HD2 H 1.658 0.030 2 201 24 24 LYS HD3 H 1.562 0.030 2 202 24 24 LYS HE2 H 3.016 0.030 1 203 24 24 LYS HE3 H 3.016 0.030 1 204 24 24 LYS C C 173.187 0.300 1 205 24 24 LYS CA C 55.359 0.300 1 206 24 24 LYS CB C 36.424 0.300 1 207 24 24 LYS CG C 23.650 0.300 1 208 24 24 LYS CD C 29.857 0.300 1 209 24 24 LYS CE C 42.194 0.300 1 210 24 24 LYS N N 116.045 0.300 1 211 25 25 ALA H H 8.318 0.030 1 212 25 25 ALA HA H 4.783 0.030 1 213 25 25 ALA HB H 1.289 0.030 1 214 25 25 ALA C C 175.316 0.300 1 215 25 25 ALA CA C 49.473 0.300 1 216 25 25 ALA CB C 20.765 0.300 1 217 25 25 ALA N N 121.917 0.300 1 218 26 26 PRO HA H 4.689 0.030 1 219 26 26 PRO HB2 H 2.358 0.030 2 220 26 26 PRO HB3 H 2.065 0.030 2 221 26 26 PRO HG2 H 1.998 0.030 1 222 26 26 PRO HG3 H 1.998 0.030 1 223 26 26 PRO HD2 H 3.651 0.030 2 224 26 26 PRO HD3 H 3.502 0.030 2 225 26 26 PRO CA C 62.864 0.300 1 226 26 26 PRO CB C 34.281 0.300 1 227 26 26 PRO CG C 24.776 0.300 1 228 26 26 PRO CD C 49.999 0.300 1 229 27 27 CYS H H 9.082 0.030 1 230 27 27 CYS HA H 4.712 0.030 1 231 27 27 CYS HB2 H 3.034 0.030 2 232 27 27 CYS HB3 H 2.735 0.030 2 233 27 27 CYS CA C 58.512 0.300 1 234 27 27 CYS CB C 30.120 0.300 1 235 27 27 CYS N N 123.979 0.300 1 236 28 28 PRO HA H 4.569 0.030 1 237 28 28 PRO HB2 H 2.488 0.030 2 238 28 28 PRO HB3 H 2.062 0.030 2 239 28 28 PRO HG2 H 2.128 0.030 1 240 28 28 PRO HG3 H 2.128 0.030 1 241 28 28 PRO HD2 H 4.172 0.030 2 242 28 28 PRO HD3 H 3.736 0.030 2 243 28 28 PRO CA C 64.899 0.300 1 244 28 28 PRO CB C 32.536 0.300 1 245 28 28 PRO CG C 27.134 0.300 1 246 28 28 PRO CD C 51.413 0.300 1 247 29 29 LEU H H 9.057 0.030 1 248 29 29 LEU HA H 4.357 0.030 1 249 29 29 LEU HB2 H 1.985 0.030 2 250 29 29 LEU HB3 H 1.613 0.030 2 251 29 29 LEU HG H 1.776 0.030 1 252 29 29 LEU HD1 H 1.027 0.030 1 253 29 29 LEU HD2 H 0.965 0.030 1 254 29 29 LEU CA C 58.079 0.300 1 255 29 29 LEU CB C 42.334 0.300 1 256 29 29 LEU CG C 27.644 0.300 1 257 29 29 LEU CD1 C 25.065 0.300 2 258 29 29 LEU CD2 C 23.355 0.300 2 259 30 30 CYS H H 9.357 0.030 1 260 30 30 CYS HA H 3.984 0.030 1 261 30 30 CYS HB2 H 3.346 0.030 2 262 30 30 CYS HB3 H 2.839 0.030 2 263 30 30 CYS CA C 64.212 0.300 1 264 30 30 CYS CB C 28.301 0.300 1 265 31 31 ASP H H 8.070 0.030 1 266 31 31 ASP HA H 4.315 0.030 1 267 31 31 ASP HB2 H 2.783 0.030 1 268 31 31 ASP HB3 H 2.783 0.030 1 269 31 31 ASP C C 179.258 0.300 1 270 31 31 ASP CA C 57.972 0.300 1 271 31 31 ASP CB C 39.886 0.300 1 272 31 31 ASP N N 120.355 0.300 1 273 32 32 GLU H H 8.077 0.030 1 274 32 32 GLU HA H 4.137 0.030 1 275 32 32 GLU HB2 H 2.228 0.030 2 276 32 32 GLU HB3 H 2.137 0.030 2 277 32 32 GLU HG2 H 2.443 0.030 2 278 32 32 GLU HG3 H 2.275 0.030 2 279 32 32 GLU C C 178.130 0.300 1 280 32 32 GLU CA C 59.384 0.300 1 281 32 32 GLU CB C 29.782 0.300 1 282 32 32 GLU CG C 36.184 0.300 1 283 32 32 GLU N N 120.939 0.300 1 284 33 33 ALA H H 7.717 0.030 1 285 33 33 ALA HA H 4.326 0.030 1 286 33 33 ALA HB H 1.632 0.030 1 287 33 33 ALA C C 179.079 0.300 1 288 33 33 ALA CA C 54.820 0.300 1 289 33 33 ALA CB C 18.468 0.300 1 290 33 33 ALA N N 120.253 0.300 1 291 34 34 LYS H H 7.811 0.030 1 292 34 34 LYS HA H 3.772 0.030 1 293 34 34 LYS HB2 H 1.897 0.030 1 294 34 34 LYS HB3 H 1.897 0.030 1 295 34 34 LYS HG2 H 1.590 0.030 2 296 34 34 LYS HG3 H 1.196 0.030 2 297 34 34 LYS HD2 H 1.687 0.030 2 298 34 34 LYS HD3 H 1.622 0.030 2 299 34 34 LYS HE2 H 2.698 0.030 1 300 34 34 LYS HE3 H 2.698 0.030 1 301 34 34 LYS C C 179.219 0.300 1 302 34 34 LYS CA C 60.607 0.300 1 303 34 34 LYS CB C 32.245 0.300 1 304 34 34 LYS CG C 27.111 0.300 1 305 34 34 LYS CD C 29.666 0.300 1 306 34 34 LYS CE C 42.029 0.300 1 307 34 34 LYS N N 114.707 0.300 1 308 35 35 GLU H H 7.635 0.030 1 309 35 35 GLU HA H 4.183 0.030 1 310 35 35 GLU HB2 H 2.237 0.030 1 311 35 35 GLU HB3 H 2.237 0.030 1 312 35 35 GLU HG2 H 2.385 0.030 2 313 35 35 GLU HG3 H 2.274 0.030 2 314 35 35 GLU C C 180.259 0.300 1 315 35 35 GLU CA C 59.456 0.300 1 316 35 35 GLU CB C 29.550 0.300 1 317 35 35 GLU CG C 36.095 0.300 1 318 35 35 GLU N N 119.427 0.300 1 319 36 36 VAL H H 8.292 0.030 1 320 36 36 VAL HA H 3.782 0.030 1 321 36 36 VAL HB H 2.204 0.030 1 322 36 36 VAL HG1 H 0.986 0.030 1 323 36 36 VAL HG2 H 1.192 0.030 1 324 36 36 VAL C C 177.501 0.300 1 325 36 36 VAL CA C 65.484 0.300 1 326 36 36 VAL CB C 31.732 0.300 1 327 36 36 VAL CG1 C 21.890 0.300 2 328 36 36 VAL CG2 C 22.947 0.300 2 329 36 36 VAL N N 120.811 0.300 1 330 37 37 LEU H H 7.768 0.030 1 331 37 37 LEU HA H 4.382 0.030 1 332 37 37 LEU HB2 H 2.017 0.030 2 333 37 37 LEU HB3 H 1.731 0.030 2 334 37 37 LEU HG H 2.079 0.030 1 335 37 37 LEU HD1 H 0.771 0.030 1 336 37 37 LEU HD2 H 0.563 0.030 1 337 37 37 LEU CA C 55.793 0.300 1 338 37 37 LEU CB C 42.935 0.300 1 339 37 37 LEU CG C 26.136 0.300 1 340 37 37 LEU CD1 C 26.045 0.300 2 341 37 37 LEU CD2 C 22.962 0.300 2 342 37 37 LEU N N 114.457 0.300 1 343 38 38 GLN H H 7.529 0.030 1 344 38 38 GLN HA H 4.145 0.030 1 345 38 38 GLN HB2 H 2.326 0.030 2 346 38 38 GLN HB3 H 2.234 0.030 2 347 38 38 GLN HG2 H 2.727 0.030 2 348 38 38 GLN HG3 H 2.640 0.030 2 349 38 38 GLN HE21 H 7.516 0.030 2 350 38 38 GLN HE22 H 6.931 0.030 2 351 38 38 GLN CA C 61.319 0.300 1 352 38 38 GLN CB C 26.332 0.300 1 353 38 38 GLN CG C 33.787 0.300 1 354 38 38 GLN N N 120.034 0.300 1 355 38 38 GLN NE2 N 112.412 0.300 1 356 39 39 PRO HA H 4.365 0.030 1 357 39 39 PRO HB2 H 2.152 0.030 2 358 39 39 PRO HB3 H 1.185 0.030 2 359 39 39 PRO HG2 H 1.886 0.030 1 360 39 39 PRO HG3 H 1.886 0.030 1 361 39 39 PRO HD2 H 3.869 0.030 2 362 39 39 PRO HD3 H 3.638 0.030 2 363 39 39 PRO C C 176.859 0.300 1 364 39 39 PRO CA C 65.011 0.300 1 365 39 39 PRO CB C 31.078 0.300 1 366 39 39 PRO CG C 27.853 0.300 1 367 39 39 PRO CD C 50.600 0.300 1 368 40 40 TYR H H 7.872 0.030 1 369 40 40 TYR HA H 4.267 0.030 1 370 40 40 TYR HB2 H 3.154 0.030 2 371 40 40 TYR HB3 H 2.925 0.030 2 372 40 40 TYR HD1 H 7.007 0.030 1 373 40 40 TYR HD2 H 7.007 0.030 1 374 40 40 TYR HE1 H 6.797 0.030 1 375 40 40 TYR HE2 H 6.797 0.030 1 376 40 40 TYR C C 175.346 0.300 1 377 40 40 TYR CA C 57.964 0.300 1 378 40 40 TYR CB C 39.811 0.300 1 379 40 40 TYR CD1 C 132.737 0.300 1 380 40 40 TYR CD2 C 132.737 0.300 1 381 40 40 TYR CE1 C 117.897 0.300 1 382 40 40 TYR CE2 C 117.897 0.300 1 383 40 40 TYR N N 115.235 0.300 1 384 41 41 LYS H H 7.263 0.030 1 385 41 41 LYS HA H 3.568 0.030 1 386 41 41 LYS HB2 H 1.897 0.030 2 387 41 41 LYS HB3 H 1.836 0.030 2 388 41 41 LYS HG2 H 1.472 0.030 2 389 41 41 LYS HG3 H 1.430 0.030 2 390 41 41 LYS HE2 H 3.003 0.030 1 391 41 41 LYS HE3 H 3.003 0.030 1 392 41 41 LYS C C 175.161 0.300 1 393 41 41 LYS CA C 58.720 0.300 1 394 41 41 LYS CB C 32.290 0.300 1 395 41 41 LYS CG C 24.004 0.300 1 396 41 41 LYS CE C 42.029 0.300 1 397 41 41 LYS N N 117.392 0.300 1 398 42 42 ASP H H 8.290 0.030 1 399 42 42 ASP HA H 4.562 0.030 1 400 42 42 ASP HB2 H 2.693 0.030 2 401 42 42 ASP HB3 H 2.575 0.030 2 402 42 42 ASP C C 176.703 0.300 1 403 42 42 ASP CA C 54.622 0.300 1 404 42 42 ASP CB C 40.026 0.300 1 405 42 42 ASP N N 115.989 0.300 1 406 43 43 ARG H H 8.091 0.030 1 407 43 43 ARG HA H 4.248 0.030 1 408 43 43 ARG HB2 H 2.198 0.030 2 409 43 43 ARG HB3 H 1.757 0.030 2 410 43 43 ARG HG2 H 1.666 0.030 2 411 43 43 ARG HG3 H 1.616 0.030 2 412 43 43 ARG HD2 H 3.222 0.030 2 413 43 43 ARG HD3 H 3.146 0.030 2 414 43 43 ARG C C 174.596 0.300 1 415 43 43 ARG CA C 55.719 0.300 1 416 43 43 ARG CB C 31.910 0.300 1 417 43 43 ARG CG C 26.617 0.300 1 418 43 43 ARG CD C 43.691 0.300 1 419 43 43 ARG N N 116.640 0.300 1 420 44 44 PHE H H 7.065 0.030 1 421 44 44 PHE HA H 4.960 0.030 1 422 44 44 PHE HB2 H 2.982 0.030 1 423 44 44 PHE HB3 H 2.982 0.030 1 424 44 44 PHE HD1 H 6.800 0.030 1 425 44 44 PHE HD2 H 6.800 0.030 1 426 44 44 PHE HE1 H 7.085 0.030 1 427 44 44 PHE HE2 H 7.085 0.030 1 428 44 44 PHE HZ H 7.100 0.030 1 429 44 44 PHE C C 173.972 0.300 1 430 44 44 PHE CA C 55.088 0.300 1 431 44 44 PHE CB C 40.445 0.300 1 432 44 44 PHE CD1 C 132.132 0.300 1 433 44 44 PHE CD2 C 132.132 0.300 1 434 44 44 PHE CE1 C 130.828 0.300 1 435 44 44 PHE CE2 C 130.828 0.300 1 436 44 44 PHE CZ C 129.194 0.300 1 437 44 44 PHE N N 110.858 0.300 1 438 45 45 ILE H H 9.029 0.030 1 439 45 45 ILE HA H 4.311 0.030 1 440 45 45 ILE HB H 1.761 0.030 1 441 45 45 ILE HG12 H 1.512 0.030 2 442 45 45 ILE HG13 H 1.163 0.030 2 443 45 45 ILE HG2 H 0.883 0.030 1 444 45 45 ILE HD1 H 0.850 0.030 1 445 45 45 ILE C C 174.717 0.300 1 446 45 45 ILE CA C 60.158 0.300 1 447 45 45 ILE CB C 39.442 0.300 1 448 45 45 ILE CG1 C 27.597 0.300 1 449 45 45 ILE CG2 C 17.087 0.300 1 450 45 45 ILE CD1 C 12.695 0.300 1 451 45 45 ILE N N 120.761 0.300 1 452 46 46 LEU H H 8.968 0.030 1 453 46 46 LEU HA H 5.119 0.030 1 454 46 46 LEU HB2 H 2.026 0.030 2 455 46 46 LEU HB3 H 1.569 0.030 2 456 46 46 LEU HG H 1.422 0.030 1 457 46 46 LEU HD1 H 0.852 0.030 1 458 46 46 LEU HD2 H 0.908 0.030 1 459 46 46 LEU C C 176.003 0.300 1 460 46 46 LEU CA C 54.407 0.300 1 461 46 46 LEU CB C 43.628 0.300 1 462 46 46 LEU CG C 27.826 0.300 1 463 46 46 LEU CD1 C 24.474 0.300 2 464 46 46 LEU CD2 C 25.877 0.300 2 465 46 46 LEU N N 131.002 0.300 1 466 47 47 GLN H H 9.094 0.030 1 467 47 47 GLN HA H 4.560 0.030 1 468 47 47 GLN HB2 H 1.796 0.030 2 469 47 47 GLN HB3 H 1.598 0.030 2 470 47 47 GLN HG2 H 2.114 0.030 2 471 47 47 GLN HG3 H 1.920 0.030 2 472 47 47 GLN HE21 H 7.270 0.030 2 473 47 47 GLN HE22 H 6.750 0.030 2 474 47 47 GLN C C 173.340 0.300 1 475 47 47 GLN CA C 54.137 0.300 1 476 47 47 GLN CB C 30.614 0.300 1 477 47 47 GLN CG C 33.457 0.300 1 478 47 47 GLN N N 129.300 0.300 1 479 47 47 GLN NE2 N 111.130 0.300 1 480 48 48 GLU H H 8.796 0.030 1 481 48 48 GLU HA H 4.806 0.030 1 482 48 48 GLU HB2 H 1.831 0.030 2 483 48 48 GLU HB3 H 1.673 0.030 2 484 48 48 GLU HG2 H 1.991 0.030 2 485 48 48 GLU HG3 H 1.848 0.030 2 486 48 48 GLU C C 175.863 0.300 1 487 48 48 GLU CA C 55.359 0.300 1 488 48 48 GLU CB C 31.191 0.300 1 489 48 48 GLU CG C 36.967 0.300 1 490 48 48 GLU N N 126.489 0.300 1 491 49 49 VAL H H 8.913 0.030 1 492 49 49 VAL HA H 3.846 0.030 1 493 49 49 VAL HB H 1.146 0.030 1 494 49 49 VAL HG1 H 0.632 0.030 1 495 49 49 VAL HG2 H 0.152 0.030 1 496 49 49 VAL C C 173.520 0.300 1 497 49 49 VAL CA C 61.397 0.300 1 498 49 49 VAL CB C 33.457 0.300 1 499 49 49 VAL CG1 C 20.532 0.300 2 500 49 49 VAL CG2 C 20.097 0.300 2 501 49 49 VAL N N 129.102 0.300 1 502 50 50 ASP H H 8.442 0.030 1 503 50 50 ASP HA H 4.910 0.030 1 504 50 50 ASP HB2 H 2.868 0.030 2 505 50 50 ASP HB3 H 2.407 0.030 2 506 50 50 ASP C C 179.192 0.300 1 507 50 50 ASP CA C 52.484 0.300 1 508 50 50 ASP CB C 39.886 0.300 1 509 50 50 ASP N N 126.155 0.300 1 510 51 51 ILE H H 9.142 0.030 1 511 51 51 ILE HA H 4.228 0.030 1 512 51 51 ILE HB H 2.284 0.030 1 513 51 51 ILE HG12 H 1.666 0.030 2 514 51 51 ILE HG13 H 1.493 0.030 2 515 51 51 ILE HG2 H 1.293 0.030 1 516 51 51 ILE HD1 H 0.881 0.030 1 517 51 51 ILE C C 174.625 0.300 1 518 51 51 ILE CA C 64.577 0.300 1 519 51 51 ILE CB C 37.970 0.300 1 520 51 51 ILE CG1 C 25.506 0.300 1 521 51 51 ILE CG2 C 19.545 0.300 1 522 51 51 ILE CD1 C 15.240 0.300 1 523 51 51 ILE N N 122.233 0.300 1 524 52 52 THR H H 9.102 0.030 1 525 52 52 THR HA H 4.203 0.030 1 526 52 52 THR HB H 4.349 0.030 1 527 52 52 THR HG2 H 1.364 0.030 1 528 52 52 THR C C 175.375 0.300 1 529 52 52 THR CA C 62.636 0.300 1 530 52 52 THR CB C 69.265 0.300 1 531 52 52 THR CG2 C 22.908 0.300 1 532 52 52 THR N N 111.430 0.300 1 533 53 53 LEU H H 7.198 0.030 1 534 53 53 LEU HA H 4.564 0.030 1 535 53 53 LEU HB2 H 1.733 0.030 2 536 53 53 LEU HB3 H 1.692 0.030 2 537 53 53 LEU HG H 1.733 0.030 1 538 53 53 LEU HD1 H 1.029 0.030 1 539 53 53 LEU HD2 H 0.889 0.030 1 540 53 53 LEU C C 177.866 0.300 1 541 53 53 LEU CA C 53.279 0.300 1 542 53 53 LEU CB C 40.010 0.300 1 543 53 53 LEU CG C 26.530 0.300 1 544 53 53 LEU CD1 C 25.758 0.300 2 545 53 53 LEU CD2 C 21.947 0.300 2 546 53 53 LEU N N 123.018 0.300 1 547 54 54 PRO HA H 4.187 0.030 1 548 54 54 PRO HB2 H 2.395 0.030 2 549 54 54 PRO HB3 H 2.014 0.030 2 550 54 54 PRO HG2 H 2.226 0.030 2 551 54 54 PRO HG3 H 2.112 0.030 2 552 54 54 PRO HD2 H 3.932 0.030 2 553 54 54 PRO HD3 H 3.853 0.030 2 554 54 54 PRO CA C 66.107 0.300 1 555 54 54 PRO CB C 31.744 0.300 1 556 54 54 PRO CG C 27.606 0.300 1 557 54 54 PRO CD C 50.490 0.300 1 558 55 55 GLU H H 9.998 0.030 1 559 55 55 GLU HA H 4.313 0.030 1 560 55 55 GLU HB2 H 2.095 0.030 1 561 55 55 GLU HB3 H 2.095 0.030 1 562 55 55 GLU HG2 H 2.293 0.030 2 563 55 55 GLU HG3 H 2.074 0.030 2 564 55 55 GLU CA C 58.018 0.300 1 565 55 55 GLU CB C 28.100 0.300 1 566 55 55 GLU CG C 35.353 0.300 1 567 55 55 GLU N N 116.501 0.300 1 568 56 56 ASN H H 8.129 0.030 1 569 56 56 ASN HA H 5.560 0.030 1 570 56 56 ASN HB2 H 3.202 0.030 2 571 56 56 ASN HB3 H 2.916 0.030 2 572 56 56 ASN HD21 H 7.920 0.030 2 573 56 56 ASN HD22 H 7.445 0.030 2 574 56 56 ASN CA C 52.574 0.300 1 575 56 56 ASN CB C 39.556 0.300 1 576 56 56 ASN N N 118.196 0.300 1 577 56 56 ASN ND2 N 116.156 0.300 1 578 57 57 SER H H 7.525 0.030 1 579 57 57 SER HA H 4.460 0.030 1 580 57 57 SER HB2 H 4.064 0.030 2 581 57 57 SER HB3 H 4.028 0.030 2 582 57 57 SER C C 176.587 0.300 1 583 57 57 SER CA C 62.512 0.300 1 584 57 57 SER CB C 62.694 0.300 1 585 57 57 SER N N 117.079 0.300 1 586 58 58 THR H H 8.559 0.030 1 587 58 58 THR HA H 3.926 0.030 1 588 58 58 THR HB H 3.592 0.030 1 589 58 58 THR HG2 H 0.662 0.030 1 590 58 58 THR C C 176.403 0.300 1 591 58 58 THR CA C 65.554 0.300 1 592 58 58 THR CB C 67.916 0.300 1 593 58 58 THR CG2 C 20.925 0.300 1 594 58 58 THR N N 117.358 0.300 1 595 59 59 TRP H H 7.090 0.030 1 596 59 59 TRP HA H 4.354 0.030 1 597 59 59 TRP HB2 H 3.217 0.030 1 598 59 59 TRP HB3 H 3.217 0.030 1 599 59 59 TRP HD1 H 7.183 0.030 1 600 59 59 TRP HE1 H 10.390 0.030 1 601 59 59 TRP HE3 H 6.855 0.030 1 602 59 59 TRP HZ2 H 7.658 0.030 1 603 59 59 TRP HZ3 H 6.951 0.030 1 604 59 59 TRP HH2 H 7.412 0.030 1 605 59 59 TRP C C 177.656 0.300 1 606 59 59 TRP CA C 57.946 0.300 1 607 59 59 TRP CB C 30.643 0.300 1 608 59 59 TRP CD1 C 126.716 0.300 1 609 59 59 TRP CE3 C 121.161 0.300 1 610 59 59 TRP CZ2 C 115.050 0.300 1 611 59 59 TRP CZ3 C 121.385 0.300 1 612 59 59 TRP CH2 C 124.897 0.300 1 613 59 59 TRP N N 121.740 0.300 1 614 59 59 TRP NE1 N 129.014 0.300 1 615 60 60 TYR H H 8.222 0.030 1 616 60 60 TYR HA H 3.950 0.030 1 617 60 60 TYR HB2 H 3.732 0.030 2 618 60 60 TYR HB3 H 3.192 0.030 2 619 60 60 TYR HD1 H 6.924 0.030 1 620 60 60 TYR HD2 H 6.924 0.030 1 621 60 60 TYR HE1 H 6.679 0.030 1 622 60 60 TYR HE2 H 6.679 0.030 1 623 60 60 TYR C C 176.380 0.300 1 624 60 60 TYR CA C 62.547 0.300 1 625 60 60 TYR CB C 37.194 0.300 1 626 60 60 TYR CD1 C 133.051 0.300 1 627 60 60 TYR CD2 C 133.051 0.300 1 628 60 60 TYR CE1 C 117.988 0.300 1 629 60 60 TYR CE2 C 117.988 0.300 1 630 60 60 TYR N N 121.048 0.300 1 631 61 61 GLU H H 8.026 0.030 1 632 61 61 GLU HA H 3.781 0.030 1 633 61 61 GLU HB2 H 1.984 0.030 1 634 61 61 GLU HB3 H 1.984 0.030 1 635 61 61 GLU HG2 H 2.391 0.030 1 636 61 61 GLU HG3 H 2.391 0.030 1 637 61 61 GLU C C 178.344 0.300 1 638 61 61 GLU CA C 58.630 0.300 1 639 61 61 GLU CB C 29.046 0.300 1 640 61 61 GLU CG C 35.768 0.300 1 641 61 61 GLU N N 114.957 0.300 1 642 62 62 ARG H H 7.043 0.030 1 643 62 62 ARG HA H 4.004 0.030 1 644 62 62 ARG HB2 H 1.287 0.030 2 645 62 62 ARG HB3 H 1.156 0.030 2 646 62 62 ARG HG2 H 1.272 0.030 2 647 62 62 ARG HG3 H 1.172 0.030 2 648 62 62 ARG HD2 H 2.755 0.030 2 649 62 62 ARG HD3 H 2.604 0.030 2 650 62 62 ARG C C 178.837 0.300 1 651 62 62 ARG CA C 58.306 0.300 1 652 62 62 ARG CB C 31.236 0.300 1 653 62 62 ARG CG C 26.534 0.300 1 654 62 62 ARG CD C 43.430 0.300 1 655 62 62 ARG N N 114.334 0.300 1 656 63 63 TYR H H 8.031 0.030 1 657 63 63 TYR HA H 5.371 0.030 1 658 63 63 TYR HB2 H 3.382 0.030 2 659 63 63 TYR HB3 H 2.696 0.030 2 660 63 63 TYR HD1 H 6.630 0.030 1 661 63 63 TYR HD2 H 6.630 0.030 1 662 63 63 TYR HE1 H 6.205 0.030 1 663 63 63 TYR HE2 H 6.205 0.030 1 664 63 63 TYR C C 177.489 0.300 1 665 63 63 TYR CA C 55.448 0.300 1 666 63 63 TYR CB C 39.272 0.300 1 667 63 63 TYR CD1 C 131.058 0.300 1 668 63 63 TYR CD2 C 131.058 0.300 1 669 63 63 TYR CE1 C 119.789 0.300 1 670 63 63 TYR CE2 C 119.789 0.300 1 671 63 63 TYR N N 114.375 0.300 1 672 64 64 LYS H H 7.722 0.030 1 673 64 64 LYS HA H 3.522 0.030 1 674 64 64 LYS HB2 H 0.922 0.030 1 675 64 64 LYS HB3 H 0.922 0.030 1 676 64 64 LYS HG2 H 0.591 0.030 2 677 64 64 LYS HG3 H -0.187 0.030 2 678 64 64 LYS HD2 H 0.924 0.030 2 679 64 64 LYS HD3 H 0.831 0.030 2 680 64 64 LYS HE2 H 2.499 0.030 2 681 64 64 LYS HE3 H 2.434 0.030 2 682 64 64 LYS C C 176.464 0.300 1 683 64 64 LYS CA C 60.193 0.300 1 684 64 64 LYS CB C 30.351 0.300 1 685 64 64 LYS CG C 22.049 0.300 1 686 64 64 LYS CD C 29.292 0.300 1 687 64 64 LYS CE C 42.212 0.300 1 688 64 64 LYS N N 118.357 0.300 1 689 65 65 PHE H H 8.382 0.030 1 690 65 65 PHE HA H 4.933 0.030 1 691 65 65 PHE HB2 H 3.414 0.030 2 692 65 65 PHE HB3 H 2.817 0.030 2 693 65 65 PHE HD1 H 7.357 0.030 1 694 65 65 PHE HD2 H 7.357 0.030 1 695 65 65 PHE HE1 H 7.305 0.030 1 696 65 65 PHE HE2 H 7.305 0.030 1 697 65 65 PHE HZ H 7.290 0.030 1 698 65 65 PHE C C 176.901 0.300 1 699 65 65 PHE CA C 57.515 0.300 1 700 65 65 PHE CB C 39.146 0.300 1 701 65 65 PHE CD1 C 131.577 0.300 1 702 65 65 PHE CD2 C 131.577 0.300 1 703 65 65 PHE CE1 C 131.577 0.300 1 704 65 65 PHE CE2 C 131.577 0.300 1 705 65 65 PHE CZ C 129.650 0.300 1 706 65 65 PHE N N 116.340 0.300 1 707 66 66 ASP H H 7.949 0.030 1 708 66 66 ASP HA H 5.066 0.030 1 709 66 66 ASP HB2 H 3.383 0.030 2 710 66 66 ASP HB3 H 2.149 0.030 2 711 66 66 ASP CA C 55.545 0.300 1 712 66 66 ASP CB C 45.985 0.300 1 713 66 66 ASP N N 119.716 0.300 1 714 67 67 ILE H H 6.796 0.030 1 715 67 67 ILE HA H 3.922 0.030 1 716 67 67 ILE HB H 1.993 0.030 1 717 67 67 ILE HG12 H 1.442 0.030 2 718 67 67 ILE HG13 H 1.405 0.030 2 719 67 67 ILE HG2 H 0.950 0.030 1 720 67 67 ILE HD1 H 0.824 0.030 1 721 67 67 ILE CA C 59.516 0.300 1 722 67 67 ILE CB C 36.923 0.300 1 723 67 67 ILE CG1 C 25.775 0.300 1 724 67 67 ILE CG2 C 19.521 0.300 1 725 67 67 ILE CD1 C 13.676 0.300 1 726 67 67 ILE N N 112.295 0.300 1 727 68 68 PRO HA H 4.780 0.030 1 728 68 68 PRO HB2 H 2.260 0.030 2 729 68 68 PRO HB3 H 1.273 0.030 2 730 68 68 PRO HG2 H 1.825 0.030 2 731 68 68 PRO HG3 H 1.739 0.030 2 732 68 68 PRO HD2 H 3.989 0.030 2 733 68 68 PRO HD3 H 3.244 0.030 2 734 68 68 PRO C C 174.099 0.300 1 735 68 68 PRO CA C 61.644 0.300 1 736 68 68 PRO CB C 34.310 0.300 1 737 68 68 PRO CG C 24.721 0.300 1 738 68 68 PRO CD C 51.137 0.300 1 739 69 69 VAL H H 7.367 0.030 1 740 69 69 VAL HA H 4.261 0.030 1 741 69 69 VAL HB H 1.160 0.030 1 742 69 69 VAL HG1 H 0.492 0.030 1 743 69 69 VAL HG2 H 0.382 0.030 1 744 69 69 VAL C C 172.824 0.300 1 745 69 69 VAL CA C 61.487 0.300 1 746 69 69 VAL CB C 33.898 0.300 1 747 69 69 VAL CG1 C 22.236 0.300 2 748 69 69 VAL CG2 C 21.681 0.300 2 749 69 69 VAL N N 119.794 0.300 1 750 70 70 PHE H H 8.507 0.030 1 751 70 70 PHE HA H 5.688 0.030 1 752 70 70 PHE HB2 H 2.723 0.030 2 753 70 70 PHE HB3 H 2.501 0.030 2 754 70 70 PHE HD1 H 6.845 0.030 1 755 70 70 PHE HD2 H 6.845 0.030 1 756 70 70 PHE HE1 H 6.774 0.030 1 757 70 70 PHE HE2 H 6.774 0.030 1 758 70 70 PHE C C 175.685 0.300 1 759 70 70 PHE CA C 55.125 0.300 1 760 70 70 PHE CB C 41.192 0.300 1 761 70 70 PHE CD1 C 132.564 0.300 1 762 70 70 PHE CD2 C 132.564 0.300 1 763 70 70 PHE CE1 C 130.439 0.300 1 764 70 70 PHE CE2 C 130.439 0.300 1 765 70 70 PHE N N 122.034 0.300 1 766 71 71 HIS H H 9.635 0.030 1 767 71 71 HIS HA H 5.405 0.030 1 768 71 71 HIS HB2 H 3.054 0.030 2 769 71 71 HIS HB3 H 2.632 0.030 2 770 71 71 HIS HD2 H 6.781 0.030 1 771 71 71 HIS HE1 H 7.816 0.030 1 772 71 71 HIS C C 173.951 0.300 1 773 71 71 HIS CA C 52.628 0.300 1 774 71 71 HIS CB C 33.660 0.300 1 775 71 71 HIS CE1 C 139.621 0.300 1 776 71 71 HIS N N 123.146 0.300 1 777 72 72 LEU H H 9.097 0.030 1 778 72 72 LEU HA H 5.286 0.030 1 779 72 72 LEU HB2 H 1.855 0.030 2 780 72 72 LEU HB3 H 1.097 0.030 2 781 72 72 LEU HG H 1.359 0.030 1 782 72 72 LEU HD1 H 0.751 0.030 1 783 72 72 LEU HD2 H 0.701 0.030 1 784 72 72 LEU C C 176.262 0.300 1 785 72 72 LEU CA C 53.526 0.300 1 786 72 72 LEU CB C 45.366 0.300 1 787 72 72 LEU CG C 27.412 0.300 1 788 72 72 LEU CD1 C 26.595 0.300 2 789 72 72 LEU CD2 C 23.813 0.300 2 790 72 72 LEU N N 121.715 0.300 1 791 73 73 ASN H H 9.961 0.030 1 792 73 73 ASN HA H 4.501 0.030 1 793 73 73 ASN HB2 H 3.280 0.030 2 794 73 73 ASN HB3 H 2.749 0.030 2 795 73 73 ASN HD21 H 7.676 0.030 2 796 73 73 ASN HD22 H 7.062 0.030 2 797 73 73 ASN C C 175.510 0.300 1 798 73 73 ASN CA C 54.017 0.300 1 799 73 73 ASN CB C 37.014 0.300 1 800 73 73 ASN N N 128.661 0.300 1 801 73 73 ASN ND2 N 111.160 0.300 1 802 74 74 GLY H H 8.891 0.030 1 803 74 74 GLY HA2 H 4.237 0.030 2 804 74 74 GLY HA3 H 4.041 0.030 2 805 74 74 GLY C C 173.425 0.300 1 806 74 74 GLY CA C 45.465 0.300 1 807 74 74 GLY N N 102.276 0.300 1 808 75 75 GLN H H 7.579 0.030 1 809 75 75 GLN HA H 4.521 0.030 1 810 75 75 GLN HB2 H 2.113 0.030 2 811 75 75 GLN HB3 H 1.979 0.030 2 812 75 75 GLN HG2 H 2.384 0.030 1 813 75 75 GLN HG3 H 2.384 0.030 1 814 75 75 GLN HE21 H 7.610 0.030 2 815 75 75 GLN HE22 H 6.917 0.030 2 816 75 75 GLN C C 175.273 0.300 1 817 75 75 GLN CA C 53.221 0.300 1 818 75 75 GLN CB C 31.022 0.300 1 819 75 75 GLN CG C 33.401 0.300 1 820 75 75 GLN N N 118.170 0.300 1 821 75 75 GLN NE2 N 112.826 0.300 1 822 76 76 PHE H H 8.922 0.030 1 823 76 76 PHE HA H 3.895 0.030 1 824 76 76 PHE HB2 H 3.016 0.030 2 825 76 76 PHE HB3 H 2.820 0.030 2 826 76 76 PHE HD1 H 7.165 0.030 1 827 76 76 PHE HD2 H 7.165 0.030 1 828 76 76 PHE HE1 H 7.121 0.030 1 829 76 76 PHE HE2 H 7.121 0.030 1 830 76 76 PHE C C 173.942 0.300 1 831 76 76 PHE CA C 61.397 0.300 1 832 76 76 PHE CB C 38.924 0.300 1 833 76 76 PHE CD1 C 131.635 0.300 1 834 76 76 PHE CD2 C 131.635 0.300 1 835 76 76 PHE CE1 C 128.873 0.300 1 836 76 76 PHE CE2 C 128.873 0.300 1 837 76 76 PHE N N 125.050 0.300 1 838 77 77 LEU H H 8.244 0.030 1 839 77 77 LEU HA H 4.507 0.030 1 840 77 77 LEU HB2 H 1.333 0.030 2 841 77 77 LEU HB3 H 1.225 0.030 2 842 77 77 LEU HG H 1.180 0.030 1 843 77 77 LEU HD1 H 0.784 0.030 1 844 77 77 LEU HD2 H 0.553 0.030 1 845 77 77 LEU C C 174.055 0.300 1 846 77 77 LEU CA C 55.289 0.300 1 847 77 77 LEU CB C 44.921 0.300 1 848 77 77 LEU CG C 27.332 0.300 1 849 77 77 LEU CD1 C 23.073 0.300 2 850 77 77 LEU CD2 C 27.378 0.300 2 851 77 77 LEU N N 128.007 0.300 1 852 78 78 MET H H 7.020 0.030 1 853 78 78 MET HA H 4.529 0.030 1 854 78 78 MET HB2 H 2.351 0.030 2 855 78 78 MET HB3 H 2.033 0.030 2 856 78 78 MET HG2 H 2.310 0.030 2 857 78 78 MET HG3 H 1.793 0.030 2 858 78 78 MET HE H 1.130 0.030 1 859 78 78 MET C C 171.872 0.300 1 860 78 78 MET CA C 55.180 0.300 1 861 78 78 MET CB C 32.229 0.300 1 862 78 78 MET CG C 30.672 0.300 1 863 78 78 MET CE C 18.337 0.300 1 864 78 78 MET N N 108.585 0.300 1 865 79 79 MET H H 9.118 0.030 1 866 79 79 MET HA H 5.518 0.030 1 867 79 79 MET HB2 H 2.286 0.030 2 868 79 79 MET HB3 H 2.121 0.030 2 869 79 79 MET HG2 H 2.600 0.030 2 870 79 79 MET HG3 H 1.491 0.030 2 871 79 79 MET HE H 1.999 0.030 1 872 79 79 MET C C 174.800 0.300 1 873 79 79 MET CA C 54.650 0.300 1 874 79 79 MET CB C 36.883 0.300 1 875 79 79 MET CG C 29.766 0.300 1 876 79 79 MET CE C 17.624 0.300 1 877 79 79 MET N N 115.884 0.300 1 878 80 80 HIS H H 8.997 0.030 1 879 80 80 HIS HA H 4.092 0.030 1 880 80 80 HIS HB2 H 4.093 0.030 2 881 80 80 HIS HB3 H 3.288 0.030 2 882 80 80 HIS HD2 H 7.677 0.030 1 883 80 80 HIS HE1 H 8.240 0.030 1 884 80 80 HIS C C 175.440 0.300 1 885 80 80 HIS CA C 60.607 0.300 1 886 80 80 HIS CB C 29.245 0.300 1 887 80 80 HIS CD2 C 118.675 0.300 1 888 80 80 HIS CE1 C 137.551 0.300 1 889 80 80 HIS N N 113.440 0.300 1 890 81 81 ARG H H 8.458 0.030 1 891 81 81 ARG HA H 4.650 0.030 1 892 81 81 ARG HB2 H 1.919 0.030 2 893 81 81 ARG HB3 H 1.766 0.030 2 894 81 81 ARG HG2 H 1.668 0.030 2 895 81 81 ARG HG3 H 1.512 0.030 2 896 81 81 ARG HD2 H 3.245 0.030 1 897 81 81 ARG HD3 H 3.245 0.030 1 898 81 81 ARG C C 175.058 0.300 1 899 81 81 ARG CA C 54.389 0.300 1 900 81 81 ARG CB C 33.522 0.300 1 901 81 81 ARG CG C 26.643 0.300 1 902 81 81 ARG CD C 43.222 0.300 1 903 81 81 ARG N N 114.903 0.300 1 904 82 82 VAL H H 9.377 0.030 1 905 82 82 VAL HA H 3.034 0.030 1 906 82 82 VAL HB H 1.962 0.030 1 907 82 82 VAL HG1 H 0.412 0.030 1 908 82 82 VAL HG2 H 0.786 0.030 1 909 82 82 VAL C C 174.202 0.300 1 910 82 82 VAL CA C 63.422 0.300 1 911 82 82 VAL CB C 31.698 0.300 1 912 82 82 VAL CG1 C 21.090 0.300 2 913 82 82 VAL CG2 C 23.062 0.300 2 914 82 82 VAL N N 121.638 0.300 1 915 83 83 ASN H H 7.407 0.030 1 916 83 83 ASN HA H 4.910 0.030 1 917 83 83 ASN HB2 H 2.959 0.030 2 918 83 83 ASN HB3 H 2.718 0.030 2 919 83 83 ASN HD21 H 7.854 0.030 2 920 83 83 ASN HD22 H 7.176 0.030 2 921 83 83 ASN C C 175.910 0.300 1 922 83 83 ASN CA C 51.549 0.300 1 923 83 83 ASN CB C 38.293 0.300 1 924 83 83 ASN N N 128.478 0.300 1 925 83 83 ASN ND2 N 112.985 0.300 1 926 84 84 THR H H 8.816 0.030 1 927 84 84 THR HA H 3.438 0.030 1 928 84 84 THR HB H 4.372 0.030 1 929 84 84 THR HG2 H 1.190 0.030 1 930 84 84 THR C C 176.097 0.300 1 931 84 84 THR CA C 65.805 0.300 1 932 84 84 THR CB C 67.443 0.300 1 933 84 84 THR CG2 C 23.044 0.300 1 934 84 84 THR N N 117.681 0.300 1 935 85 85 SER H H 8.082 0.030 1 936 85 85 SER HA H 4.263 0.030 1 937 85 85 SER HB2 H 3.963 0.030 1 938 85 85 SER HB3 H 3.963 0.030 1 939 85 85 SER C C 176.967 0.300 1 940 85 85 SER CA C 61.743 0.300 1 941 85 85 SER CB C 62.426 0.300 1 942 85 85 SER N N 118.293 0.300 1 943 86 86 LYS H H 7.508 0.030 1 944 86 86 LYS HA H 3.946 0.030 1 945 86 86 LYS HB2 H 1.713 0.030 2 946 86 86 LYS HB3 H 1.560 0.030 2 947 86 86 LYS HG2 H 1.423 0.030 2 948 86 86 LYS HG3 H 1.276 0.030 2 949 86 86 LYS HD2 H 1.694 0.030 1 950 86 86 LYS HD3 H 1.694 0.030 1 951 86 86 LYS HE2 H 3.020 0.030 1 952 86 86 LYS HE3 H 3.020 0.030 1 953 86 86 LYS C C 178.521 0.300 1 954 86 86 LYS CA C 59.099 0.300 1 955 86 86 LYS CB C 32.790 0.300 1 956 86 86 LYS CG C 25.312 0.300 1 957 86 86 LYS CD C 29.290 0.300 1 958 86 86 LYS CE C 42.111 0.300 1 959 86 86 LYS N N 122.597 0.300 1 960 87 87 LEU H H 7.672 0.030 1 961 87 87 LEU HA H 3.700 0.030 1 962 87 87 LEU HB2 H 1.619 0.030 2 963 87 87 LEU HB3 H 0.854 0.030 2 964 87 87 LEU HG H 1.103 0.030 1 965 87 87 LEU HD1 H 0.408 0.030 1 966 87 87 LEU HD2 H 0.034 0.030 1 967 87 87 LEU C C 177.145 0.300 1 968 87 87 LEU CA C 58.324 0.300 1 969 87 87 LEU CB C 42.361 0.300 1 970 87 87 LEU CG C 26.571 0.300 1 971 87 87 LEU CD1 C 22.801 0.300 2 972 87 87 LEU CD2 C 25.542 0.300 2 973 87 87 LEU N N 118.406 0.300 1 974 88 88 GLU H H 8.435 0.030 1 975 88 88 GLU HA H 3.768 0.030 1 976 88 88 GLU HB2 H 2.221 0.030 2 977 88 88 GLU HB3 H 2.083 0.030 2 978 88 88 GLU HG2 H 2.477 0.030 2 979 88 88 GLU HG3 H 2.355 0.030 2 980 88 88 GLU C C 178.935 0.300 1 981 88 88 GLU CA C 60.229 0.300 1 982 88 88 GLU CB C 29.677 0.300 1 983 88 88 GLU CG C 36.781 0.300 1 984 88 88 GLU N N 117.088 0.300 1 985 89 89 LYS H H 7.893 0.030 1 986 89 89 LYS HA H 3.943 0.030 1 987 89 89 LYS HB2 H 1.932 0.030 2 988 89 89 LYS HB3 H 1.884 0.030 2 989 89 89 LYS HG2 H 1.585 0.030 2 990 89 89 LYS HG3 H 1.406 0.030 2 991 89 89 LYS HD2 H 1.686 0.030 1 992 89 89 LYS HD3 H 1.686 0.030 1 993 89 89 LYS HE2 H 2.956 0.030 1 994 89 89 LYS HE3 H 2.956 0.030 1 995 89 89 LYS C C 179.561 0.300 1 996 89 89 LYS CA C 59.833 0.300 1 997 89 89 LYS CB C 32.597 0.300 1 998 89 89 LYS CG C 25.435 0.300 1 999 89 89 LYS CD C 29.498 0.300 1 1000 89 89 LYS CE C 42.138 0.300 1 1001 89 89 LYS N N 117.865 0.300 1 1002 90 90 GLN H H 7.930 0.030 1 1003 90 90 GLN HA H 4.123 0.030 1 1004 90 90 GLN HB2 H 1.935 0.030 1 1005 90 90 GLN HB3 H 1.935 0.030 1 1006 90 90 GLN HG2 H 2.482 0.030 2 1007 90 90 GLN HG3 H 2.283 0.030 2 1008 90 90 GLN HE21 H 7.298 0.030 2 1009 90 90 GLN HE22 H 6.999 0.030 2 1010 90 90 GLN C C 178.666 0.300 1 1011 90 90 GLN CA C 57.857 0.300 1 1012 90 90 GLN CB C 27.739 0.300 1 1013 90 90 GLN CG C 33.683 0.300 1 1014 90 90 GLN N N 117.758 0.300 1 1015 90 90 GLN NE2 N 111.936 0.300 1 1016 91 91 LEU H H 8.507 0.030 1 1017 91 91 LEU HA H 4.059 0.030 1 1018 91 91 LEU HB2 H 1.972 0.030 2 1019 91 91 LEU HB3 H 1.535 0.030 2 1020 91 91 LEU HG H 1.868 0.030 1 1021 91 91 LEU HD1 H 0.855 0.030 1 1022 91 91 LEU HD2 H 0.935 0.030 1 1023 91 91 LEU C C 180.104 0.300 1 1024 91 91 LEU CA C 58.018 0.300 1 1025 91 91 LEU CB C 41.476 0.300 1 1026 91 91 LEU CG C 26.533 0.300 1 1027 91 91 LEU CD1 C 25.750 0.300 2 1028 91 91 LEU CD2 C 22.868 0.300 2 1029 91 91 LEU N N 118.945 0.300 1 1030 92 92 ARG H H 8.014 0.030 1 1031 92 92 ARG HA H 4.114 0.030 1 1032 92 92 ARG HB2 H 1.921 0.030 1 1033 92 92 ARG HB3 H 1.921 0.030 1 1034 92 92 ARG HG2 H 1.828 0.030 2 1035 92 92 ARG HG3 H 1.655 0.030 2 1036 92 92 ARG HD2 H 3.197 0.030 1 1037 92 92 ARG HD3 H 3.197 0.030 1 1038 92 92 ARG C C 178.921 0.300 1 1039 92 92 ARG CA C 58.952 0.300 1 1040 92 92 ARG CB C 29.930 0.300 1 1041 92 92 ARG CG C 27.720 0.300 1 1042 92 92 ARG CD C 43.310 0.300 1 1043 92 92 ARG N N 118.877 0.300 1 1044 93 93 LYS H H 7.665 0.030 1 1045 93 93 LYS HA H 4.105 0.030 1 1046 93 93 LYS HB2 H 1.926 0.030 1 1047 93 93 LYS HB3 H 1.926 0.030 1 1048 93 93 LYS HG2 H 1.562 0.030 2 1049 93 93 LYS HG3 H 1.445 0.030 2 1050 93 93 LYS HD2 H 1.653 0.030 1 1051 93 93 LYS HD3 H 1.653 0.030 1 1052 93 93 LYS HE2 H 2.964 0.030 2 1053 93 93 LYS C C 178.327 0.300 1 1054 93 93 LYS CA C 58.684 0.300 1 1055 93 93 LYS CB C 32.458 0.300 1 1056 93 93 LYS CG C 24.983 0.300 1 1057 93 93 LYS CD C 29.330 0.300 1 1058 93 93 LYS CE C 42.055 0.300 1 1059 93 93 LYS N N 119.858 0.300 1 1060 94 94 LEU H H 7.702 0.030 1 1061 94 94 LEU HA H 4.313 0.030 1 1062 94 94 LEU HB2 H 1.845 0.030 2 1063 94 94 LEU HB3 H 1.624 0.030 2 1064 94 94 LEU HG H 1.901 0.030 1 1065 94 94 LEU HD1 H 0.914 0.030 1 1066 94 94 LEU HD2 H 0.903 0.030 1 1067 94 94 LEU C C 177.927 0.300 1 1068 94 94 LEU CA C 56.024 0.300 1 1069 94 94 LEU CB C 42.388 0.300 1 1070 94 94 LEU CG C 26.819 0.300 1 1071 94 94 LEU CD1 C 26.066 0.300 2 1072 94 94 LEU CD2 C 22.518 0.300 2 1073 94 94 LEU N N 117.591 0.300 1 1074 95 95 SER H H 7.848 0.030 1 1075 95 95 SER HA H 4.560 0.030 1 1076 95 95 SER HB2 H 3.982 0.030 1 1077 95 95 SER HB3 H 3.982 0.030 1 1078 95 95 SER C C 174.576 0.300 1 1079 95 95 SER CA C 59.079 0.300 1 1080 95 95 SER CB C 64.021 0.300 1 1081 95 95 SER N N 114.066 0.300 1 1082 96 96 GLY H H 7.927 0.030 1 1083 96 96 GLY HA2 H 4.204 0.030 2 1084 96 96 GLY HA3 H 4.142 0.030 2 1085 96 96 GLY C C 171.721 0.300 1 1086 96 96 GLY CA C 44.878 0.300 1 1087 96 96 GLY N N 109.987 0.300 1 1088 97 97 PRO HA H 4.492 0.030 1 1089 97 97 PRO HB2 H 2.297 0.030 2 1090 97 97 PRO HB3 H 1.995 0.030 2 1091 97 97 PRO HG2 H 2.025 0.030 1 1092 97 97 PRO HG3 H 2.025 0.030 1 1093 97 97 PRO HD2 H 3.649 0.030 1 1094 97 97 PRO HD3 H 3.649 0.030 1 1095 97 97 PRO C C 177.422 0.300 1 1096 97 97 PRO CA C 63.321 0.300 1 1097 97 97 PRO CB C 32.300 0.300 1 1098 97 97 PRO CG C 27.133 0.300 1 1099 97 97 PRO CD C 49.665 0.300 1 1100 98 98 SER H H 8.528 0.030 1 1101 98 98 SER HA H 4.508 0.030 1 1102 98 98 SER HB2 H 3.898 0.030 1 1103 98 98 SER HB3 H 3.898 0.030 1 1104 98 98 SER C C 174.684 0.300 1 1105 98 98 SER CA C 58.419 0.300 1 1106 98 98 SER CB C 63.870 0.300 1 1107 98 98 SER N N 116.405 0.300 1 1108 99 99 SER H H 8.310 0.030 1 1109 99 99 SER HA H 4.482 0.030 1 1110 99 99 SER HB2 H 3.885 0.030 1 1111 99 99 SER HB3 H 3.885 0.030 1 1112 99 99 SER C C 173.931 0.300 1 1113 99 99 SER CA C 58.419 0.300 1 1114 99 99 SER CB C 63.870 0.300 1 1115 99 99 SER N N 117.706 0.300 1 1116 100 100 GLY H H 8.041 0.030 1 1117 100 100 GLY HA2 H 3.798 0.030 2 1118 100 100 GLY HA3 H 3.751 0.030 2 1119 100 100 GLY C C 179.007 0.300 1 1120 100 100 GLY CA C 46.182 0.300 1 1121 100 100 GLY N N 116.807 0.300 1 stop_ save_