data_5880 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the retroviral Gag MA-like domain of RIKEN cDNA 3110009E22 ; _BMRB_accession_number 5880 _BMRB_flat_file_name bmr5880.str _Entry_type original _Submission_date 2003-07-23 _Accession_date 2003-07-23 _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 Suzuki S. . . 2 Hatanaka H. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 7 Hayashizaki Y. . . 8 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" 577 "13C chemical shifts" 452 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-01-11 original author . stop_ _Original_release_date 2006-01-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the retroviral Gag MA-like domain of RIKEN cDNA 3110009E22' _Citation_status submitted _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 Suzuki S. . . 2 Hatanaka H. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Terada T. . . 6 Shirouzu M. . . 7 Hayashizaki Y. . . 8 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 . loop_ _Keyword 'structural genomics' stop_ save_ ################################## # Molecular system description # ################################## save_system_RIKEN_cDNA_3110009E22 _Saveframe_category molecular_system _Mol_system_name 'product of RIKEN cDNA 3110009E22' _Abbreviation_common 'RIKEN cDNA 3110009E22' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'product of RIKEN cDNA 3110009E22' $RIKEN_cDNA_3110009E22 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RIKEN_cDNA_3110009E22 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RIKEN cDNA 3110009E22' _Abbreviation_common 'RIKEN cDNA 3110009E22' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; GSSGSSGTPLSLTLDHWSEI RSRAHNLSVEIKKGPWRTFC ASEWPTFDVGWPPEGTFDLT VIFEVKAIVFQDGPGSHPDQ QPYITVWQDLVQNSPPWIKS GPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 PRO 10 LEU 11 SER 12 LEU 13 THR 14 LEU 15 ASP 16 HIS 17 TRP 18 SER 19 GLU 20 ILE 21 ARG 22 SER 23 ARG 24 ALA 25 HIS 26 ASN 27 LEU 28 SER 29 VAL 30 GLU 31 ILE 32 LYS 33 LYS 34 GLY 35 PRO 36 TRP 37 ARG 38 THR 39 PHE 40 CYS 41 ALA 42 SER 43 GLU 44 TRP 45 PRO 46 THR 47 PHE 48 ASP 49 VAL 50 GLY 51 TRP 52 PRO 53 PRO 54 GLU 55 GLY 56 THR 57 PHE 58 ASP 59 LEU 60 THR 61 VAL 62 ILE 63 PHE 64 GLU 65 VAL 66 LYS 67 ALA 68 ILE 69 VAL 70 PHE 71 GLN 72 ASP 73 GLY 74 PRO 75 GLY 76 SER 77 HIS 78 PRO 79 ASP 80 GLN 81 GLN 82 PRO 83 TYR 84 ILE 85 THR 86 VAL 87 TRP 88 GLN 89 ASP 90 LEU 91 VAL 92 GLN 93 ASN 94 SER 95 PRO 96 PRO 97 TRP 98 ILE 99 LYS 100 SER 101 GLY 102 PRO 103 SER 104 SER 105 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-02 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 1UHU "Solution Structure Of The Retroviral Gag Ma-Like Domain Of Riken Cdna 3110009e22" 100.00 105 100.00 100.00 1.23e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RIKEN_cDNA_3110009E22 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_name $RIKEN_cDNA_3110009E22 'cell free synthesis' . . . . . 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 $RIKEN_cDNA_3110009E22 3.2 mM '[U-13C; U-15N]' 'phosphate buffer Na' 20 mM . NaCl 100 mM . d-DTT 1 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1B loop_ _Task collection stop_ _Details Varian save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'data analysis' stop_ _Details 'Johnson, B.A.' save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.771 loop_ _Task 'data analysis' stop_ _Details 'Kobayashi, N.' save_ save_Olivia _Saveframe_category software _Name Olivia _Version 1.9.5 loop_ _Task 'data analysis' stop_ _Details 'Yokochi, M.' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Task refinement 'structure solution' stop_ _Details 'Guentert, P.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.12 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details ; C13 and N15 chemical shifts were referenced from H1 reference according to the software NMRpipe. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm . external indirect . external . . water H 1 protons ppm 4.773 internal direct . internal . 1.0 water N 15 ptotons ppm . external indirect . external . . 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'product of RIKEN cDNA 3110009E22' _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 GLY CA C 45.450 0.600 1 2 . 1 GLY HA2 H 4.040 0.030 1 3 . 2 SER H H 8.317 0.030 1 4 . 2 SER N N 115.842 0.400 1 5 . 2 SER CA C 58.470 0.600 1 6 . 2 SER HA H 4.540 0.030 1 7 . 2 SER C C 174.674 0.600 1 8 . 2 SER CB C 64.020 0.600 1 9 . 2 SER HB2 H 3.931 0.030 1 10 . 3 SER H H 8.590 0.030 1 11 . 3 SER N N 118.150 0.400 1 12 . 3 SER CA C 58.610 0.600 1 13 . 3 SER HA H 4.520 0.030 1 14 . 3 SER C C 174.607 0.600 1 15 . 3 SER CB C 63.760 0.600 1 16 . 3 SER HB2 H 3.920 0.030 1 17 . 4 GLY H H 8.480 0.030 1 18 . 4 GLY N N 110.960 0.400 1 19 . 4 GLY CA C 45.450 0.600 1 20 . 4 GLY HA2 H 4.040 0.030 1 21 . 5 SER H H 8.310 0.030 1 22 . 5 SER N N 115.950 0.400 1 23 . 5 SER CA C 58.440 0.600 1 24 . 5 SER HA H 4.580 0.030 1 25 . 5 SER C C 176.068 0.600 1 26 . 5 SER CB C 63.969 0.600 1 27 . 5 SER HB2 H 3.930 0.030 1 28 . 6 SER H H 8.330 0.030 1 29 . 6 SER N N 117.871 0.400 1 30 . 6 SER CA C 58.628 0.600 1 31 . 6 SER HA H 4.571 0.030 1 32 . 6 SER C C 174.797 0.600 1 33 . 6 SER CB C 63.994 0.600 1 34 . 6 SER HB2 H 3.959 0.030 1 35 . 7 GLY H H 8.405 0.030 1 36 . 7 GLY N N 110.070 0.400 1 37 . 7 GLY CA C 45.207 0.600 1 38 . 7 GLY HA3 H 3.994 0.030 1 39 . 7 GLY C C 173.755 0.600 1 40 . 7 GLY HA2 H 4.109 0.030 1 41 . 8 THR H H 8.254 0.030 1 42 . 8 THR N N 111.935 0.400 1 43 . 8 THR CA C 59.170 0.600 1 44 . 8 THR HA H 4.775 0.030 1 45 . 8 THR CB C 69.380 0.600 1 46 . 8 THR CG2 C 22.240 0.600 1 47 . 8 THR HG2 H 1.360 0.030 1 48 . 9 PRO CA C 67.020 0.600 1 49 . 9 PRO HA H 4.254 0.030 1 50 . 9 PRO C C 178.617 0.600 1 51 . 9 PRO CB C 31.129 0.600 1 52 . 9 PRO HB2 H 0.981 0.030 1 53 . 9 PRO HB3 H 1.591 0.030 1 54 . 9 PRO CG C 28.503 0.600 1 55 . 9 PRO HG2 H 1.437 0.030 1 56 . 9 PRO CD C 49.954 0.600 1 57 . 9 PRO HD2 H 3.808 0.030 1 58 . 9 PRO HD3 H 3.476 0.030 1 59 . 10 LEU H H 8.817 0.030 1 60 . 10 LEU N N 116.511 0.400 1 61 . 10 LEU CA C 58.809 0.600 1 62 . 10 LEU HA H 4.529 0.030 1 63 . 10 LEU CB C 40.562 0.600 1 64 . 10 LEU HB2 H 1.927 0.030 1 65 . 10 LEU HB3 H 1.782 0.030 1 66 . 10 LEU CG C 27.527 0.600 1 67 . 10 LEU CD1 C 22.660 0.600 1 68 . 10 LEU HD1 H 1.377 0.030 1 69 . 10 LEU CD2 C 26.206 0.600 1 70 . 10 LEU HD2 H 1.157 0.030 1 71 . 10 LEU HG H 1.764 0.030 1 72 . 11 SER H H 8.307 0.030 1 73 . 11 SER N N 117.310 0.400 1 74 . 11 SER CA C 62.525 0.600 1 75 . 11 SER HA H 4.128 0.030 1 76 . 11 SER C C 176.992 0.600 1 77 . 11 SER CB C 62.775 0.600 1 78 . 11 SER HB2 H 3.962 0.030 1 79 . 12 LEU H H 9.136 0.030 1 80 . 12 LEU N N 123.377 0.400 1 81 . 12 LEU CA C 58.496 0.600 1 82 . 12 LEU HA H 4.277 0.030 1 83 . 12 LEU C C 180.784 0.600 1 84 . 12 LEU CB C 43.197 0.600 1 85 . 12 LEU HB2 H 2.430 0.030 1 86 . 12 LEU HB3 H 1.833 0.030 1 87 . 12 LEU CG C 27.362 0.600 1 88 . 12 LEU CD1 C 24.150 0.600 1 89 . 12 LEU HD1 H 1.241 0.030 1 90 . 12 LEU CD2 C 25.926 0.600 1 91 . 12 LEU HD2 H 1.254 0.030 1 92 . 12 LEU HG H 1.920 0.030 1 93 . 13 THR H H 8.693 0.030 1 94 . 13 THR N N 110.607 0.400 1 95 . 13 THR CA C 66.073 0.600 1 96 . 13 THR HA H 4.076 0.030 1 97 . 13 THR C C 176.257 0.600 1 98 . 13 THR CB C 68.943 0.600 1 99 . 13 THR HB H 4.231 0.030 1 100 . 13 THR CG2 C 23.149 0.600 1 101 . 13 THR HG2 H 1.593 0.030 1 102 . 14 LEU H H 7.927 0.030 1 103 . 14 LEU N N 120.710 0.400 1 104 . 14 LEU CA C 58.107 0.600 1 105 . 14 LEU HA H 4.235 0.030 1 106 . 14 LEU C C 180.597 0.600 1 107 . 14 LEU CB C 41.063 0.600 1 108 . 14 LEU HB2 H 2.029 0.030 1 109 . 14 LEU HB3 H 1.408 0.030 1 110 . 14 LEU CG C 27.087 0.600 1 111 . 14 LEU CD1 C 23.067 0.600 1 112 . 14 LEU HD1 H 0.680 0.030 1 113 . 14 LEU CD2 C 26.135 0.600 1 114 . 14 LEU HD2 H 0.912 0.030 1 115 . 14 LEU HG H 2.044 0.030 1 116 . 15 ASP H H 8.445 0.030 1 117 . 15 ASP N N 120.735 0.400 1 118 . 15 ASP CA C 56.319 0.600 1 119 . 15 ASP HA H 4.440 0.030 1 120 . 15 ASP C C 177.205 0.600 1 121 . 15 ASP CB C 40.647 0.600 1 122 . 15 ASP HB2 H 2.719 0.030 1 123 . 15 ASP HB3 H 2.372 0.030 1 124 . 16 HIS H H 7.406 0.030 1 125 . 16 HIS N N 117.613 0.400 1 126 . 16 HIS CA C 54.485 0.600 1 127 . 16 HIS HA H 4.645 0.030 1 128 . 16 HIS C C 175.157 0.600 1 129 . 16 HIS CB C 27.452 0.600 1 130 . 16 HIS HB2 H 3.009 0.030 1 131 . 16 HIS HB3 H 1.949 0.030 1 132 . 16 HIS CD2 C 119.611 0.600 1 133 . 16 HIS HD2 H 6.735 0.030 1 134 . 16 HIS CE1 C 134.151 0.600 1 135 . 16 HIS HE1 H 8.129 0.030 1 136 . 17 TRP H H 7.145 0.030 1 137 . 17 TRP N N 120.735 0.400 1 138 . 17 TRP CA C 60.276 0.600 1 139 . 17 TRP HA H 4.237 0.030 1 140 . 17 TRP C C 176.737 0.600 1 141 . 17 TRP CB C 29.858 0.600 1 142 . 17 TRP HB2 H 3.636 0.030 1 143 . 17 TRP HB3 H 3.054 0.030 1 144 . 17 TRP CD1 C 125.779 0.600 1 145 . 17 TRP HD1 H 7.069 0.030 1 146 . 17 TRP NE1 N 126.606 0.400 1 147 . 17 TRP HE1 H 9.961 0.030 1 148 . 17 TRP CE3 C 120.051 0.600 1 149 . 17 TRP HE3 H 7.014 0.030 1 150 . 17 TRP CZ2 C 112.561 0.600 1 151 . 17 TRP HZ2 H 6.930 0.030 1 152 . 17 TRP CZ3 C 121.373 0.600 1 153 . 17 TRP HZ3 H 5.169 0.030 1 154 . 17 TRP CH2 C 124.017 0.600 1 155 . 17 TRP HH2 H 6.426 0.030 1 156 . 18 SER H H 8.747 0.030 1 157 . 18 SER N N 111.845 0.400 1 158 . 18 SER CA C 62.075 0.600 1 159 . 18 SER HA H 3.888 0.030 1 160 . 18 SER C C 177.320 0.600 1 161 . 18 SER CB C 61.893 0.600 1 162 . 18 SER HB2 H 3.905 0.030 1 163 . 19 GLU H H 7.720 0.030 1 164 . 19 GLU N N 122.116 0.400 1 165 . 19 GLU CA C 58.868 0.600 1 166 . 19 GLU HA H 4.176 0.030 1 167 . 19 GLU C C 178.846 0.600 1 168 . 19 GLU CB C 30.094 0.600 1 169 . 19 GLU HB2 H 2.355 0.030 1 170 . 19 GLU CG C 36.780 0.600 1 171 . 19 GLU HG2 H 2.380 0.030 1 172 . 20 ILE H H 7.514 0.030 1 173 . 20 ILE N N 122.502 0.400 1 174 . 20 ILE CA C 64.229 0.600 1 175 . 20 ILE HA H 3.260 0.030 1 176 . 20 ILE C C 177.522 0.600 1 177 . 20 ILE CB C 35.124 0.600 1 178 . 20 ILE HB H 1.023 0.030 1 179 . 20 ILE CG2 C 17.815 0.600 1 180 . 20 ILE CG1 C 28.636 0.600 1 181 . 20 ILE HG12 H 1.032 0.030 1 182 . 20 ILE HG13 H 1.147 0.030 1 183 . 20 ILE CD1 C 12.692 0.600 1 184 . 20 ILE HD1 H 0.594 0.030 1 185 . 20 ILE HG2 H -0.352 0.030 1 186 . 21 ARG H H 8.154 0.030 1 187 . 21 ARG N N 119.191 0.400 1 188 . 21 ARG CA C 59.322 0.600 1 189 . 21 ARG HA H 3.367 0.030 1 190 . 21 ARG CB C 29.172 0.600 1 191 . 21 ARG HB2 H 1.517 0.030 1 192 . 21 ARG HB3 H 1.269 0.030 1 193 . 21 ARG CG C 27.014 0.600 1 194 . 21 ARG HG2 H 1.064 0.030 1 195 . 21 ARG HG3 H 1.244 0.030 1 196 . 21 ARG CD C 43.544 0.600 1 197 . 21 ARG HD2 H 3.188 0.030 1 198 . 21 ARG HD3 H 3.288 0.030 1 199 . 21 ARG HE H 7.074 0.030 1 200 . 22 SER H H 7.525 0.030 1 201 . 22 SER N N 115.426 0.400 1 202 . 22 SER CA C 61.757 0.600 1 203 . 22 SER HA H 4.203 0.030 1 204 . 22 SER C C 176.886 0.600 1 205 . 22 SER CB C 62.334 0.600 1 206 . 22 SER HB2 H 3.985 0.030 1 207 . 23 ARG H H 7.949 0.030 1 208 . 23 ARG N N 122.220 0.400 1 209 . 23 ARG CA C 58.369 0.600 1 210 . 23 ARG HA H 4.071 0.030 1 211 . 23 ARG C C 174.111 0.600 1 212 . 23 ARG CB C 29.290 0.600 1 213 . 23 ARG HB2 H 1.940 0.030 1 214 . 23 ARG CG C 27.931 0.600 1 215 . 23 ARG HG2 H 1.707 0.030 1 216 . 23 ARG CD C 42.375 0.600 1 217 . 23 ARG HD2 H 3.248 0.030 1 218 . 23 ARG HD3 H 3.148 0.030 1 219 . 23 ARG NE N 84.533 0.400 1 220 . 23 ARG HE H 7.777 0.030 1 221 . 23 ARG HH11 H 7.125 0.030 1 222 . 23 ARG HH12 H 7.190 0.030 1 223 . 23 ARG HH21 H 6.447 0.030 1 224 . 24 ALA H H 8.421 0.030 1 225 . 24 ALA N N 120.909 0.400 1 226 . 24 ALA CA C 55.098 0.600 1 227 . 24 ALA HA H 3.766 0.030 1 228 . 24 ALA C C 179.251 0.600 1 229 . 24 ALA CB C 18.264 0.600 1 230 . 24 ALA HB H 1.345 0.030 1 231 . 25 HIS H H 8.128 0.030 1 232 . 25 HIS N N 117.331 0.400 1 233 . 25 HIS CA C 58.891 0.600 1 234 . 25 HIS HA H 4.516 0.030 1 235 . 25 HIS C C 179.137 0.600 1 236 . 25 HIS CB C 28.253 0.600 1 237 . 25 HIS HB2 H 3.431 0.030 1 238 . 25 HIS HB3 H 3.362 0.030 1 239 . 25 HIS CD2 C 120.057 0.600 1 240 . 25 HIS HD2 H 7.360 0.030 1 241 . 26 ASN H H 8.106 0.030 1 242 . 26 ASN N N 120.243 0.400 1 243 . 26 ASN CA C 55.754 0.600 1 244 . 26 ASN HA H 4.484 0.030 1 245 . 26 ASN C C 176.599 0.600 1 246 . 26 ASN CB C 38.024 0.600 1 247 . 26 ASN HB2 H 2.936 0.030 1 248 . 26 ASN HB3 H 3.013 0.030 1 249 . 26 ASN ND2 N 112.259 0.400 1 250 . 26 ASN HD21 H 6.921 0.030 1 251 . 26 ASN HD22 H 7.687 0.030 1 252 . 27 LEU H H 7.702 0.030 1 253 . 27 LEU N N 120.307 0.400 1 254 . 27 LEU CA C 54.829 0.600 1 255 . 27 LEU HA H 4.342 0.030 1 256 . 27 LEU C C 175.435 0.600 1 257 . 27 LEU CB C 42.507 0.600 1 258 . 27 LEU HB2 H 1.684 0.030 1 259 . 27 LEU HB3 H 1.799 0.030 1 260 . 27 LEU CG C 26.710 0.600 1 261 . 27 LEU CD1 C 26.093 0.600 1 262 . 27 LEU HD1 H 0.769 0.030 1 263 . 27 LEU CD2 C 22.199 0.600 1 264 . 27 LEU HD2 H 0.823 0.030 1 265 . 27 LEU HG H 1.755 0.030 1 266 . 28 SER H H 7.878 0.030 1 267 . 28 SER N N 112.280 0.400 1 268 . 28 SER CA C 58.876 0.600 1 269 . 28 SER HA H 4.021 0.030 1 270 . 28 SER C C 174.227 0.600 1 271 . 28 SER CB C 61.599 0.600 1 272 . 28 SER HB2 H 4.055 0.030 1 273 . 29 VAL H H 7.976 0.030 1 274 . 29 VAL N N 111.564 0.400 1 275 . 29 VAL CA C 58.742 0.600 1 276 . 29 VAL HA H 4.782 0.030 1 277 . 29 VAL C C 174.246 0.600 1 278 . 29 VAL CB C 35.388 0.600 1 279 . 29 VAL HB H 2.088 0.030 1 280 . 29 VAL CG1 C 21.647 0.600 1 281 . 29 VAL HG1 H 0.925 0.030 1 282 . 29 VAL CG2 C 18.420 0.600 1 283 . 29 VAL HG2 H 0.712 0.030 1 284 . 30 GLU H H 8.324 0.030 1 285 . 30 GLU N N 121.993 0.400 1 286 . 30 GLU CA C 54.905 0.600 1 287 . 30 GLU HA H 4.732 0.030 1 288 . 30 GLU C C 175.131 0.600 1 289 . 30 GLU CB C 31.412 0.600 1 290 . 30 GLU HB2 H 1.954 0.030 1 291 . 30 GLU HB3 H 1.873 0.030 1 292 . 30 GLU CG C 36.083 0.600 1 293 . 30 GLU HG2 H 2.185 0.030 1 294 . 31 ILE H H 7.960 0.030 1 295 . 31 ILE N N 118.541 0.400 1 296 . 31 ILE CA C 58.984 0.600 1 297 . 31 ILE HA H 4.652 0.030 1 298 . 31 ILE C C 174.352 0.600 1 299 . 31 ILE CB C 42.401 0.600 1 300 . 31 ILE HB H 1.782 0.030 1 301 . 31 ILE CG2 C 18.177 0.600 1 302 . 31 ILE CG1 C 25.324 0.600 1 303 . 31 ILE HG12 H 1.223 0.030 1 304 . 31 ILE HG13 H 0.797 0.030 1 305 . 31 ILE CD1 C 13.881 0.600 1 306 . 31 ILE HD1 H 0.286 0.030 1 307 . 31 ILE HG2 H 0.352 0.030 1 308 . 32 LYS H H 8.753 0.030 1 309 . 32 LYS N N 121.667 0.400 1 310 . 32 LYS CA C 55.046 0.600 1 311 . 32 LYS HA H 5.148 0.030 1 312 . 32 LYS C C 176.592 0.600 1 313 . 32 LYS CB C 36.774 0.600 1 314 . 32 LYS HB2 H 2.204 0.030 1 315 . 32 LYS HB3 H 1.692 0.030 1 316 . 32 LYS CG C 25.563 0.600 1 317 . 32 LYS HG2 H 1.566 0.030 1 318 . 32 LYS CD C 29.344 0.600 1 319 . 32 LYS HD2 H 1.761 0.030 1 320 . 32 LYS HD3 H 1.848 0.030 1 321 . 32 LYS CE C 42.412 0.600 1 322 . 32 LYS HE2 H 3.047 0.030 1 323 . 33 LYS H H 8.598 0.030 1 324 . 33 LYS N N 124.160 0.400 1 325 . 33 LYS CA C 60.453 0.600 1 326 . 33 LYS HA H 3.058 0.030 1 327 . 33 LYS C C 178.324 0.600 1 328 . 33 LYS CB C 33.171 0.600 1 329 . 33 LYS HB2 H 1.076 0.030 1 330 . 33 LYS HB3 H 0.887 0.030 1 331 . 33 LYS CG C 24.884 0.600 1 332 . 33 LYS HG2 H 0.156 0.030 1 333 . 33 LYS HG3 H -0.044 0.030 1 334 . 33 LYS CD C 29.372 0.600 1 335 . 33 LYS HD2 H 1.031 0.030 1 336 . 33 LYS CE C 41.381 0.600 1 337 . 33 LYS HE2 H 2.238 0.030 1 338 . 33 LYS HE3 H 2.119 0.030 1 339 . 34 GLY H H 8.678 0.030 1 340 . 34 GLY N N 106.426 0.400 1 341 . 34 GLY CA C 48.002 0.600 1 342 . 34 GLY HA3 H 3.761 0.030 1 343 . 34 GLY HA2 H 3.901 0.030 1 344 . 35 PRO CA C 64.023 0.600 1 345 . 35 PRO HA H 3.493 0.030 1 346 . 35 PRO C C 175.918 0.600 1 347 . 35 PRO CB C 31.066 0.600 1 348 . 35 PRO HB2 H 1.416 0.030 1 349 . 35 PRO HB3 H 1.647 0.030 1 350 . 35 PRO CG C 27.907 0.600 1 351 . 35 PRO HG2 H 1.653 0.030 1 352 . 35 PRO HG3 H 2.008 0.030 1 353 . 35 PRO CD C 50.879 0.600 1 354 . 35 PRO HD2 H 3.538 0.030 1 355 . 36 TRP H H 7.691 0.030 1 356 . 36 TRP N N 116.236 0.400 1 357 . 36 TRP CA C 61.124 0.600 1 358 . 36 TRP HA H 4.289 0.030 1 359 . 36 TRP C C 179.315 0.600 1 360 . 36 TRP CB C 29.747 0.600 1 361 . 36 TRP HB2 H 3.665 0.030 1 362 . 36 TRP HB3 H 3.833 0.030 1 363 . 36 TRP CD1 C 126.220 0.600 1 364 . 36 TRP HD1 H 6.828 0.030 1 365 . 36 TRP NE1 N 128.200 0.400 1 366 . 36 TRP HE1 H 10.395 0.030 1 367 . 36 TRP CE3 C 120.200 0.600 1 368 . 36 TRP HE3 H 8.010 0.030 1 369 . 36 TRP CZ2 C 113.443 0.600 1 370 . 36 TRP HZ2 H 6.181 0.030 1 371 . 36 TRP CZ3 C 120.933 0.600 1 372 . 36 TRP HZ3 H 7.015 0.030 1 373 . 36 TRP CH2 C 123.576 0.600 1 374 . 36 TRP HH2 H 6.181 0.030 1 375 . 37 ARG H H 7.862 0.030 1 376 . 37 ARG N N 117.378 0.400 1 377 . 37 ARG CA C 59.767 0.600 1 378 . 37 ARG HA H 4.099 0.030 1 379 . 37 ARG C C 177.095 0.600 1 380 . 37 ARG CB C 30.613 0.600 1 381 . 37 ARG HB2 H 2.117 0.030 1 382 . 37 ARG HB3 H 1.966 0.030 1 383 . 37 ARG CG C 27.968 0.600 1 384 . 37 ARG HG2 H 1.794 0.030 1 385 . 37 ARG HG3 H 1.612 0.030 1 386 . 37 ARG CD C 43.519 0.600 1 387 . 37 ARG HD2 H 3.167 0.030 1 388 . 37 ARG NE N 83.554 0.400 1 389 . 37 ARG HE H 7.206 0.030 1 390 . 37 ARG HH11 H 7.206 0.030 1 391 . 38 THR H H 8.513 0.030 1 392 . 38 THR N N 116.806 0.400 1 393 . 38 THR CA C 66.611 0.600 1 394 . 38 THR HA H 3.728 0.030 1 395 . 38 THR C C 177.850 0.600 1 396 . 38 THR CB C 68.228 0.600 1 397 . 38 THR HB H 3.580 0.030 1 398 . 38 THR CG2 C 21.867 0.600 1 399 . 38 THR HG2 H 0.980 0.030 1 400 . 39 PHE H H 9.030 0.030 1 401 . 39 PHE N N 121.427 0.400 1 402 . 39 PHE CA C 57.622 0.600 1 403 . 39 PHE HA H 3.810 0.030 1 404 . 39 PHE C C 175.503 0.600 1 405 . 39 PHE CB C 34.832 0.600 1 406 . 39 PHE HB2 H 0.881 0.030 1 407 . 39 PHE HB3 H 1.559 0.030 1 408 . 39 PHE CD1 C 129.305 0.600 1 409 . 39 PHE HD1 H 6.132 0.030 2 410 . 39 PHE CD2 C 129.305 0.600 1 411 . 39 PHE CE1 C 131.508 0.600 1 412 . 39 PHE HE1 H 6.802 0.030 2 413 . 39 PHE CE2 C 131.508 0.600 1 414 . 39 PHE CZ C 129.899 0.600 1 415 . 39 PHE HZ H 6.964 0.030 1 416 . 40 CYS H H 6.437 0.030 1 417 . 40 CYS N N 114.026 0.400 1 418 . 40 CYS CA C 61.608 0.600 1 419 . 40 CYS HA H 3.734 0.030 1 420 . 40 CYS C C 173.153 0.600 1 421 . 40 CYS CB C 27.149 0.600 1 422 . 40 CYS HB2 H 2.556 0.030 1 423 . 40 CYS HB3 H 3.178 0.030 1 424 . 41 ALA H H 8.437 0.030 1 425 . 41 ALA N N 113.128 0.400 1 426 . 41 ALA CA C 53.650 0.600 1 427 . 41 ALA HA H 4.914 0.030 1 428 . 41 ALA C C 179.401 0.600 1 429 . 41 ALA CB C 20.100 0.600 1 430 . 41 ALA HB H 1.327 0.030 1 431 . 42 SER H H 8.124 0.030 1 432 . 42 SER N N 109.768 0.400 1 433 . 42 SER CA C 59.345 0.600 1 434 . 42 SER HA H 4.700 0.030 1 435 . 42 SER C C 174.948 0.600 1 436 . 42 SER CB C 64.528 0.600 1 437 . 42 SER HB2 H 3.875 0.030 1 438 . 42 SER HB3 H 3.832 0.030 1 439 . 43 GLU H H 7.247 0.030 1 440 . 43 GLU N N 120.146 0.400 1 441 . 43 GLU CA C 58.314 0.600 1 442 . 43 GLU HA H 4.370 0.030 1 443 . 43 GLU C C 177.007 0.600 1 444 . 43 GLU CB C 30.586 0.600 1 445 . 43 GLU HB2 H 1.711 0.030 1 446 . 43 GLU CG C 34.339 0.600 1 447 . 43 GLU HG2 H 2.087 0.030 1 448 . 43 GLU HG3 H 1.901 0.030 1 449 . 44 TRP H H 8.559 0.030 1 450 . 44 TRP N N 123.551 0.400 1 451 . 44 TRP CA C 58.317 0.600 1 452 . 44 TRP HA H 3.368 0.030 1 453 . 44 TRP CB C 25.953 0.600 1 454 . 44 TRP HB2 H 2.235 0.030 1 455 . 44 TRP HB3 H 1.753 0.030 1 456 . 44 TRP CD1 C 125.339 0.600 1 457 . 44 TRP HD1 H 5.850 0.030 1 458 . 44 TRP NE1 N 126.606 0.400 1 459 . 44 TRP HE1 H 9.792 0.030 1 460 . 44 TRP CE3 C 120.051 0.600 1 461 . 44 TRP HE3 H 4.998 0.030 1 462 . 44 TRP CZ2 C 111.240 0.600 1 463 . 44 TRP HZ2 H 6.949 0.030 1 464 . 44 TRP CZ3 C 120.492 0.600 1 465 . 44 TRP HZ3 H 5.440 0.030 1 466 . 44 TRP CH2 C 122.254 0.600 1 467 . 44 TRP HH2 H 6.498 0.030 1 468 . 45 PRO CA C 66.633 0.600 1 469 . 45 PRO HA H 5.066 0.030 1 470 . 45 PRO C C 178.350 0.600 1 471 . 45 PRO CB C 32.021 0.600 1 472 . 45 PRO HB2 H 1.723 0.030 1 473 . 45 PRO HB3 H 2.546 0.030 1 474 . 45 PRO CG C 29.021 0.600 1 475 . 45 PRO HG2 H 2.071 0.030 1 476 . 45 PRO HG3 H 1.876 0.030 1 477 . 45 PRO CD C 51.860 0.600 1 478 . 45 PRO HD2 H 2.876 0.030 1 479 . 45 PRO HD3 H 3.799 0.030 1 480 . 46 THR H H 7.581 0.030 1 481 . 46 THR N N 105.783 0.400 1 482 . 46 THR CA C 63.486 0.600 1 483 . 46 THR HA H 4.423 0.030 1 484 . 46 THR C C 175.771 0.600 1 485 . 46 THR CB C 70.289 0.600 1 486 . 46 THR HB H 4.523 0.030 1 487 . 46 THR HG1 H 5.708 0.030 1 488 . 46 THR CG2 C 21.247 0.600 1 489 . 46 THR HG2 H 1.429 0.030 1 490 . 47 PHE H H 7.578 0.030 1 491 . 47 PHE N N 119.864 0.400 1 492 . 47 PHE CA C 55.068 0.600 1 493 . 47 PHE HA H 4.776 0.030 1 494 . 47 PHE C C 175.235 0.600 1 495 . 47 PHE CB C 37.469 0.600 1 496 . 47 PHE HB2 H 3.447 0.030 1 497 . 47 PHE HB3 H 3.275 0.030 1 498 . 47 PHE CD1 C 129.450 0.600 1 499 . 47 PHE HD1 H 6.939 0.030 2 500 . 47 PHE CD2 C 129.450 0.600 1 501 . 47 PHE CE1 C 131.508 0.600 1 502 . 47 PHE HE1 H 7.024 0.030 2 503 . 47 PHE CE2 C 131.508 0.600 1 504 . 48 ASP H H 7.874 0.030 1 505 . 48 ASP N N 115.514 0.400 1 506 . 48 ASP CA C 55.541 0.600 1 507 . 48 ASP HA H 4.631 0.030 1 508 . 48 ASP C C 175.547 0.600 1 509 . 48 ASP CB C 38.983 0.600 1 510 . 48 ASP HB2 H 3.204 0.030 1 511 . 48 ASP HB3 H 2.574 0.030 1 512 . 49 VAL H H 8.441 0.030 1 513 . 49 VAL N N 107.881 0.400 1 514 . 49 VAL CA C 59.787 0.600 1 515 . 49 VAL HA H 4.712 0.030 1 516 . 49 VAL C C 175.603 0.600 1 517 . 49 VAL CB C 31.933 0.600 1 518 . 49 VAL HB H 2.634 0.030 1 519 . 49 VAL CG1 C 21.800 0.600 1 520 . 49 VAL HG1 H 0.881 0.030 1 521 . 49 VAL CG2 C 19.128 0.600 1 522 . 49 VAL HG2 H 0.739 0.030 1 523 . 50 GLY H H 8.121 0.030 1 524 . 50 GLY N N 108.015 0.400 1 525 . 50 GLY CA C 45.283 0.600 1 526 . 50 GLY HA3 H 4.167 0.030 1 527 . 50 GLY C C 174.584 0.600 1 528 . 50 GLY HA2 H 3.530 0.030 1 529 . 51 TRP H H 8.280 0.030 1 530 . 51 TRP N N 123.433 0.400 1 531 . 51 TRP CA C 55.282 0.600 1 532 . 51 TRP HA H 4.295 0.030 1 533 . 51 TRP CB C 27.773 0.600 1 534 . 51 TRP HB2 H 2.429 0.030 1 535 . 51 TRP HB3 H 2.944 0.030 1 536 . 51 TRP CD1 C 129.745 0.600 1 537 . 51 TRP HD1 H 6.634 0.030 1 538 . 51 TRP NE1 N 132.965 0.400 1 539 . 51 TRP HE1 H 10.113 0.030 1 540 . 51 TRP CE3 C 120.051 0.600 1 541 . 51 TRP HE3 H 6.991 0.030 1 542 . 51 TRP CZ2 C 112.561 0.600 1 543 . 51 TRP HZ2 H 6.398 0.030 1 544 . 51 TRP CZ3 C 121.373 0.600 1 545 . 51 TRP HZ3 H 6.479 0.030 1 546 . 51 TRP CH2 C 124.017 0.600 1 547 . 51 TRP HH2 H 5.476 0.030 1 548 . 52 PRO HA H 4.912 0.030 1 549 . 52 PRO CB C 30.611 0.600 1 550 . 52 PRO HB2 H 1.989 0.030 1 551 . 52 PRO HB3 H 2.130 0.030 1 552 . 52 PRO CG C 26.646 0.600 1 553 . 52 PRO HG2 H 1.547 0.030 1 554 . 52 PRO HG3 H 1.692 0.030 1 555 . 52 PRO CD C 49.557 0.600 1 556 . 52 PRO HD2 H 2.009 0.030 1 557 . 52 PRO HD3 H 3.965 0.030 1 558 . 53 PRO CA C 64.409 0.600 1 559 . 53 PRO HA H 4.918 0.030 1 560 . 53 PRO C C 177.626 0.600 1 561 . 53 PRO CB C 31.617 0.600 1 562 . 53 PRO HB2 H 2.628 0.030 1 563 . 53 PRO HB3 H 1.943 0.030 1 564 . 53 PRO CG C 27.910 0.600 1 565 . 53 PRO HG2 H 2.039 0.030 1 566 . 53 PRO HG3 H 2.189 0.030 1 567 . 53 PRO CD C 50.097 0.600 1 568 . 53 PRO HD2 H 3.851 0.030 1 569 . 53 PRO HD3 H 3.781 0.030 1 570 . 54 GLU H H 8.158 0.030 1 571 . 54 GLU N N 114.282 0.400 1 572 . 54 GLU CA C 57.169 0.600 1 573 . 54 GLU HA H 4.248 0.030 1 574 . 54 GLU C C 175.610 0.600 1 575 . 54 GLU CB C 28.569 0.600 1 576 . 54 GLU HB2 H 2.202 0.030 1 577 . 54 GLU HB3 H 2.077 0.030 1 578 . 54 GLU CG C 36.614 0.600 1 579 . 54 GLU HG2 H 2.469 0.030 1 580 . 54 GLU HG3 H 2.297 0.030 1 581 . 55 GLY H H 8.044 0.030 1 582 . 55 GLY N N 106.973 0.400 1 583 . 55 GLY CA C 44.273 0.600 1 584 . 55 GLY HA3 H 2.971 0.030 1 585 . 55 GLY C C 183.042 0.600 1 586 . 55 GLY HA2 H 3.840 0.030 1 587 . 56 THR H H 5.320 0.030 1 588 . 56 THR N N 108.986 0.400 1 589 . 56 THR CA C 59.307 0.600 1 590 . 56 THR HA H 4.060 0.030 1 591 . 56 THR CB C 68.177 0.600 1 592 . 56 THR HB H 3.361 0.030 1 593 . 56 THR HG1 H 6.061 0.030 1 594 . 56 THR CG2 C 19.597 0.600 1 595 . 56 THR HG2 H 0.132 0.030 1 596 . 57 PHE H H 8.119 0.030 1 597 . 57 PHE N N 119.757 0.400 1 598 . 57 PHE CA C 54.266 0.600 1 599 . 57 PHE HA H 5.294 0.030 1 600 . 57 PHE C C 174.245 0.600 1 601 . 57 PHE CB C 38.626 0.600 1 602 . 57 PHE HB2 H 3.633 0.030 1 603 . 57 PHE HB3 H 2.753 0.030 1 604 . 57 PHE CD1 C 131.067 0.600 1 605 . 57 PHE HD1 H 7.430 0.030 2 606 . 57 PHE CD2 C 131.067 0.600 1 607 . 57 PHE CE1 C 128.937 0.600 1 608 . 57 PHE HE1 H 7.430 0.030 2 609 . 57 PHE CE2 C 128.937 0.600 1 610 . 58 ASP H H 8.361 0.030 1 611 . 58 ASP N N 121.652 0.400 1 612 . 58 ASP CA C 54.064 0.600 1 613 . 58 ASP HA H 4.535 0.030 1 614 . 58 ASP C C 176.918 0.600 1 615 . 58 ASP CB C 41.796 0.600 1 616 . 58 ASP HB2 H 2.835 0.030 1 617 . 58 ASP HB3 H 2.485 0.030 1 618 . 59 LEU H H 8.796 0.030 1 619 . 59 LEU N N 129.541 0.400 1 620 . 59 LEU CA C 57.430 0.600 1 621 . 59 LEU HA H 3.912 0.030 1 622 . 59 LEU C C 177.389 0.600 1 623 . 59 LEU CB C 42.138 0.600 1 624 . 59 LEU HB2 H 1.680 0.030 1 625 . 59 LEU HB3 H 1.585 0.030 1 626 . 59 LEU CG C 26.646 0.600 1 627 . 59 LEU CD1 C 23.680 0.600 1 628 . 59 LEU HD1 H 0.703 0.030 1 629 . 59 LEU CD2 C 25.355 0.600 1 630 . 59 LEU HD2 H 0.862 0.030 1 631 . 59 LEU HG H 1.404 0.030 1 632 . 60 THR H H 8.263 0.030 1 633 . 60 THR N N 112.250 0.400 1 634 . 60 THR CA C 66.454 0.600 1 635 . 60 THR HA H 3.988 0.030 1 636 . 60 THR C C 177.099 0.600 1 637 . 60 THR CB C 68.248 0.600 1 638 . 60 THR HB H 4.310 0.030 1 639 . 60 THR CG2 C 22.056 0.600 1 640 . 60 THR HG2 H 1.311 0.030 1 641 . 61 VAL H H 7.204 0.030 1 642 . 61 VAL N N 122.630 0.400 1 643 . 61 VAL CA C 66.055 0.600 1 644 . 61 VAL HA H 3.773 0.030 1 645 . 61 VAL C C 178.775 0.600 1 646 . 61 VAL CB C 31.875 0.600 1 647 . 61 VAL HB H 2.056 0.030 1 648 . 61 VAL CG1 C 21.908 0.600 1 649 . 61 VAL HG1 H 0.991 0.030 1 650 . 61 VAL CG2 C 22.240 0.600 1 651 . 61 VAL HG2 H 1.023 0.030 1 652 . 62 ILE H H 8.002 0.030 1 653 . 62 ILE N N 121.365 0.400 1 654 . 62 ILE CA C 66.500 0.600 1 655 . 62 ILE HA H 3.569 0.030 1 656 . 62 ILE C C 178.075 0.600 1 657 . 62 ILE CB C 37.871 0.600 1 658 . 62 ILE HB H 1.962 0.030 1 659 . 62 ILE CG2 C 15.580 0.600 1 660 . 62 ILE CG1 C 32.374 0.600 1 661 . 62 ILE HG12 H 1.898 0.030 1 662 . 62 ILE HG13 H 1.227 0.030 1 663 . 62 ILE CD1 C 14.750 0.600 1 664 . 62 ILE HD1 H 1.112 0.030 1 665 . 62 ILE HG2 H 0.722 0.030 1 666 . 63 PHE H H 8.695 0.030 1 667 . 63 PHE N N 117.192 0.400 1 668 . 63 PHE CA C 59.806 0.600 1 669 . 63 PHE HA H 4.423 0.030 1 670 . 63 PHE C C 179.368 0.600 1 671 . 63 PHE CB C 37.707 0.600 1 672 . 63 PHE HB2 H 3.267 0.030 1 673 . 63 PHE HB3 H 3.191 0.030 1 674 . 63 PHE CD1 C 130.186 0.600 1 675 . 63 PHE HD1 H 7.186 0.030 2 676 . 63 PHE CD2 C 130.186 0.600 1 677 . 63 PHE CE1 C 129.393 0.600 1 678 . 63 PHE HE1 H 7.209 0.030 2 679 . 63 PHE CE2 C 129.393 0.600 1 680 . 64 GLU H H 7.827 0.030 1 681 . 64 GLU N N 121.685 0.400 1 682 . 64 GLU CA C 59.455 0.600 1 683 . 64 GLU HA H 4.286 0.030 1 684 . 64 GLU C C 178.748 0.600 1 685 . 64 GLU CB C 28.915 0.600 1 686 . 64 GLU HB2 H 2.140 0.030 1 687 . 64 GLU HB3 H 2.391 0.030 1 688 . 64 GLU CG C 35.528 0.600 1 689 . 64 GLU HG2 H 2.631 0.030 1 690 . 64 GLU HG3 H 2.563 0.030 1 691 . 65 VAL H H 8.088 0.030 1 692 . 65 VAL N N 120.246 0.400 1 693 . 65 VAL CA C 67.241 0.600 1 694 . 65 VAL HA H 3.378 0.030 1 695 . 65 VAL C C 178.135 0.600 1 696 . 65 VAL CB C 31.107 0.600 1 697 . 65 VAL HB H 1.579 0.030 1 698 . 65 VAL CG1 C 23.963 0.600 1 699 . 65 VAL HG1 H 0.667 0.030 1 700 . 65 VAL CG2 C 19.580 0.600 1 701 . 65 VAL HG2 H -0.715 0.030 1 702 . 66 LYS H H 8.791 0.030 1 703 . 66 LYS N N 120.246 0.400 1 704 . 66 LYS CA C 60.765 0.600 1 705 . 66 LYS HA H 3.725 0.030 1 706 . 66 LYS C C 177.021 0.600 1 707 . 66 LYS CB C 33.369 0.600 1 708 . 66 LYS HB2 H 2.077 0.030 1 709 . 66 LYS HB3 H 1.802 0.030 1 710 . 66 LYS CG C 26.646 0.600 1 711 . 66 LYS HG2 H 1.335 0.030 1 712 . 66 LYS CD C 30.171 0.600 1 713 . 66 LYS HD2 H 1.498 0.030 1 714 . 66 LYS HD3 H 1.589 0.030 1 715 . 66 LYS CE C 42.053 0.600 1 716 . 66 LYS HE2 H 2.303 0.030 1 717 . 66 LYS HE3 H 2.462 0.030 1 718 . 67 ALA H H 7.846 0.030 1 719 . 67 ALA N N 118.360 0.400 1 720 . 67 ALA CA C 54.593 0.600 1 721 . 67 ALA HA H 4.035 0.030 1 722 . 67 ALA C C 180.124 0.600 1 723 . 67 ALA CB C 18.275 0.600 1 724 . 67 ALA HB H 1.465 0.030 1 725 . 68 ILE H H 7.086 0.030 1 726 . 68 ILE N N 117.062 0.400 1 727 . 68 ILE CA C 63.595 0.600 1 728 . 68 ILE HA H 3.671 0.030 1 729 . 68 ILE C C 178.969 0.600 1 730 . 68 ILE CB C 38.159 0.600 1 731 . 68 ILE HB H 1.678 0.030 1 732 . 68 ILE CG2 C 16.953 0.600 1 733 . 68 ILE CG1 C 28.737 0.600 1 734 . 68 ILE HG12 H 1.560 0.030 1 735 . 68 ILE HG13 H 1.031 0.030 1 736 . 68 ILE CD1 C 14.310 0.600 1 737 . 68 ILE HD1 H 0.711 0.030 1 738 . 68 ILE HG2 H 0.041 0.030 1 739 . 69 VAL H H 8.285 0.030 1 740 . 69 VAL N N 116.377 0.400 1 741 . 69 VAL CA C 66.141 0.600 1 742 . 69 VAL HA H 3.749 0.030 1 743 . 69 VAL C C 178.055 0.600 1 744 . 69 VAL CB C 32.065 0.600 1 745 . 69 VAL HB H 2.269 0.030 1 746 . 69 VAL CG1 C 23.057 0.600 1 747 . 69 VAL HG1 H 0.939 0.030 1 748 . 69 VAL CG2 C 23.057 0.600 1 749 . 69 VAL HG2 H 1.002 0.030 1 750 . 70 PHE H H 8.484 0.030 1 751 . 70 PHE N N 117.310 0.400 1 752 . 70 PHE CA C 59.404 0.600 1 753 . 70 PHE HA H 4.387 0.030 1 754 . 70 PHE C C 174.887 0.600 1 755 . 70 PHE CB C 38.102 0.600 1 756 . 70 PHE HB2 H 3.364 0.030 1 757 . 70 PHE HB3 H 2.969 0.030 1 758 . 70 PHE CD1 C 132.811 0.600 1 759 . 70 PHE HD1 H 7.488 0.030 2 760 . 70 PHE CD2 C 132.811 0.600 1 761 . 70 PHE CE1 C 131.132 0.600 1 762 . 70 PHE HE1 H 7.225 0.030 2 763 . 70 PHE CE2 C 131.132 0.600 1 764 . 70 PHE CZ C 130.186 0.600 1 765 . 70 PHE HZ H 7.190 0.030 1 766 . 71 GLN H H 6.924 0.030 1 767 . 71 GLN N N 120.159 0.400 1 768 . 71 GLN CA C 56.606 0.600 1 769 . 71 GLN HA H 4.210 0.030 1 770 . 71 GLN CB C 30.036 0.600 1 771 . 71 GLN HB2 H 2.124 0.030 2 772 . 71 GLN CG C 33.760 0.600 1 773 . 71 GLN HG2 H 2.280 0.030 1 774 . 71 GLN HG3 H 2.004 0.030 1 775 . 71 GLN NE2 N 112.907 0.400 1 776 . 71 GLN HE21 H 6.996 0.030 1 777 . 71 GLN HE22 H 7.602 0.030 1 778 . 72 ASP H H 8.428 0.030 1 779 . 72 ASP N N 120.923 0.400 1 780 . 72 ASP CA C 54.008 0.600 1 781 . 72 ASP HA H 4.705 0.030 1 782 . 72 ASP C C 177.028 0.600 1 783 . 72 ASP CB C 41.626 0.600 1 784 . 72 ASP HB2 H 2.689 0.030 1 785 . 72 ASP HB3 H 2.595 0.030 1 786 . 73 GLY H H 8.271 0.030 1 787 . 73 GLY N N 109.943 0.400 1 788 . 73 GLY CA C 44.908 0.600 1 789 . 73 GLY HA3 H 4.365 0.030 1 790 . 73 GLY HA2 H 3.886 0.030 1 791 . 74 PRO CA C 64.178 0.600 1 792 . 74 PRO HA H 4.337 0.030 1 793 . 74 PRO C C 177.231 0.600 1 794 . 74 PRO CB C 31.838 0.600 1 795 . 74 PRO HB2 H 2.284 0.030 1 796 . 74 PRO HB3 H 1.929 0.030 1 797 . 74 PRO CG C 27.016 0.600 1 798 . 74 PRO HG2 H 1.982 0.030 1 799 . 74 PRO CD C 49.963 0.600 1 800 . 74 PRO HD2 H 3.708 0.030 1 801 . 74 PRO HD3 H 3.584 0.030 1 802 . 75 GLY H H 8.571 0.030 1 803 . 75 GLY N N 108.657 0.400 1 804 . 75 GLY CA C 44.875 0.600 1 805 . 75 GLY HA3 H 3.485 0.030 1 806 . 75 GLY C C 172.881 0.600 1 807 . 75 GLY HA2 H 3.905 0.030 1 808 . 76 SER H H 7.141 0.030 1 809 . 76 SER N N 111.799 0.400 1 810 . 76 SER CA C 58.528 0.600 1 811 . 76 SER HA H 4.003 0.030 1 812 . 76 SER C C 174.261 0.600 1 813 . 76 SER CB C 64.691 0.600 1 814 . 76 SER HB2 H 4.141 0.030 1 815 . 76 SER HB3 H 3.923 0.030 1 816 . 77 HIS H H 8.147 0.030 1 817 . 77 HIS N N 114.678 0.400 1 818 . 77 HIS CA C 52.235 0.600 1 819 . 77 HIS HA H 5.272 0.030 1 820 . 77 HIS CB C 30.149 0.600 1 821 . 77 HIS HB2 H 2.955 0.030 1 822 . 77 HIS CD2 C 120.074 0.600 1 823 . 77 HIS HD2 H 6.873 0.030 1 824 . 78 PRO CA C 65.827 0.600 1 825 . 78 PRO HA H 3.913 0.030 1 826 . 78 PRO C C 178.342 0.600 1 827 . 78 PRO CB C 31.726 0.600 1 828 . 78 PRO HB2 H 2.331 0.030 1 829 . 78 PRO HB3 H 2.012 0.030 1 830 . 78 PRO CG C 27.569 0.600 1 831 . 78 PRO HG2 H 2.126 0.030 1 832 . 78 PRO HG3 H 1.954 0.030 1 833 . 78 PRO CD C 50.317 0.600 1 834 . 78 PRO HD2 H 3.777 0.030 1 835 . 78 PRO HD3 H 3.511 0.030 1 836 . 79 ASP H H 9.086 0.030 1 837 . 79 ASP N N 115.028 0.400 1 838 . 79 ASP CA C 55.676 0.600 1 839 . 79 ASP HA H 4.439 0.030 1 840 . 79 ASP C C 177.504 0.600 1 841 . 79 ASP CB C 38.983 0.600 1 842 . 79 ASP HB2 H 2.973 0.030 1 843 . 79 ASP HB3 H 2.825 0.030 1 844 . 80 GLN H H 7.511 0.030 1 845 . 80 GLN N N 116.626 0.400 1 846 . 80 GLN CA C 56.208 0.600 1 847 . 80 GLN HA H 4.164 0.030 1 848 . 80 GLN C C 177.914 0.600 1 849 . 80 GLN CB C 30.583 0.600 1 850 . 80 GLN HB2 H 1.894 0.030 1 851 . 80 GLN HB3 H 2.119 0.030 1 852 . 80 GLN CG C 32.182 0.600 1 853 . 80 GLN HG2 H 0.043 0.030 1 854 . 80 GLN HG3 H 1.690 0.030 1 855 . 80 GLN NE2 N 108.504 0.400 1 856 . 80 GLN HE21 H 6.376 0.030 1 857 . 80 GLN HE22 H 6.860 0.030 1 858 . 81 GLN H H 7.414 0.030 1 859 . 81 GLN N N 121.343 0.400 1 860 . 81 GLN CA C 60.226 0.600 1 861 . 81 GLN HA H 3.705 0.030 1 862 . 81 GLN CB C 25.388 0.600 1 863 . 81 GLN HB2 H 1.753 0.030 1 864 . 81 GLN HB3 H 2.202 0.030 1 865 . 81 GLN CG C 33.696 0.600 1 866 . 81 GLN HG2 H 2.078 0.030 1 867 . 81 GLN HG3 H 0.185 0.030 1 868 . 81 GLN NE2 N 108.504 0.400 1 869 . 81 GLN HE21 H 6.902 0.030 1 870 . 81 GLN HE22 H 6.985 0.030 1 871 . 82 PRO CA C 66.266 0.600 1 872 . 82 PRO HA H 4.398 0.030 1 873 . 82 PRO C C 177.042 0.600 1 874 . 82 PRO CB C 31.755 0.600 1 875 . 82 PRO HB2 H 2.344 0.030 1 876 . 82 PRO HB3 H 1.700 0.030 1 877 . 82 PRO CG C 28.340 0.600 1 878 . 82 PRO HG2 H 2.363 0.030 1 879 . 82 PRO HG3 H 2.380 0.030 1 880 . 82 PRO CD C 50.488 0.600 1 881 . 82 PRO HD2 H 3.873 0.030 1 882 . 82 PRO HD3 H 4.123 0.030 1 883 . 83 TYR H H 6.932 0.030 1 884 . 83 TYR N N 113.049 0.400 1 885 . 83 TYR CA C 62.581 0.600 1 886 . 83 TYR HA H 4.286 0.030 1 887 . 83 TYR C C 178.409 0.600 1 888 . 83 TYR CB C 38.508 0.600 1 889 . 83 TYR HB2 H 3.470 0.030 1 890 . 83 TYR HB3 H 3.599 0.030 1 891 . 83 TYR CD1 C 133.857 0.600 1 892 . 83 TYR HD1 H 7.820 0.030 2 893 . 83 TYR CD2 C 133.857 0.600 1 894 . 83 TYR CE1 C 119.244 0.600 1 895 . 83 TYR HE1 H 7.706 0.030 2 896 . 83 TYR CE2 C 119.244 0.600 1 897 . 84 ILE H H 8.006 0.030 1 898 . 84 ILE N N 118.281 0.400 1 899 . 84 ILE CA C 59.905 0.600 1 900 . 84 ILE HA H 4.640 0.030 1 901 . 84 ILE C C 176.168 0.600 1 902 . 84 ILE CB C 37.531 0.600 1 903 . 84 ILE HB H 1.441 0.030 1 904 . 84 ILE CG2 C 21.439 0.600 1 905 . 84 ILE CG1 C 29.730 0.600 1 906 . 84 ILE HG12 H 1.264 0.030 1 907 . 84 ILE HG13 H 0.722 0.030 1 908 . 84 ILE CD1 C 13.680 0.600 1 909 . 84 ILE HD1 H 0.081 0.030 1 910 . 84 ILE HG2 H 1.277 0.030 1 911 . 85 THR H H 7.660 0.030 1 912 . 85 THR N N 119.676 0.400 1 913 . 85 THR CA C 67.396 0.600 1 914 . 85 THR HA H 3.980 0.030 1 915 . 85 THR C C 176.208 0.600 1 916 . 85 THR CB C 68.502 0.600 1 917 . 85 THR HB H 4.530 0.030 1 918 . 85 THR CG2 C 21.246 0.600 1 919 . 85 THR HG2 H 1.337 0.030 1 920 . 86 VAL H H 7.720 0.030 1 921 . 86 VAL N N 122.811 0.400 1 922 . 86 VAL CA C 67.525 0.600 1 923 . 86 VAL HA H 3.706 0.030 1 924 . 86 VAL C C 177.797 0.600 1 925 . 86 VAL CB C 31.488 0.600 1 926 . 86 VAL HB H 2.635 0.030 1 927 . 86 VAL CG1 C 22.681 0.600 1 928 . 86 VAL HG1 H 0.980 0.030 1 929 . 86 VAL CG2 C 23.590 0.600 1 930 . 86 VAL HG2 H 1.073 0.030 1 931 . 87 TRP H H 8.181 0.030 1 932 . 87 TRP N N 120.559 0.400 1 933 . 87 TRP CA C 64.096 0.600 1 934 . 87 TRP HA H 4.393 0.030 1 935 . 87 TRP C C 177.781 0.600 1 936 . 87 TRP CB C 28.900 0.600 1 937 . 87 TRP HB2 H 3.528 0.030 1 938 . 87 TRP CD1 C 128.000 0.600 1 939 . 87 TRP HD1 H 7.463 0.030 1 940 . 87 TRP NE1 N 131.497 0.400 1 941 . 87 TRP HE1 H 9.186 0.030 1 942 . 87 TRP CE3 C 120.492 0.600 1 943 . 87 TRP HE3 H 7.959 0.030 1 944 . 87 TRP CZ2 C 113.470 0.600 1 945 . 87 TRP HZ2 H 7.012 0.030 1 946 . 87 TRP CZ3 C 122.254 0.600 1 947 . 87 TRP HZ3 H 6.846 0.030 1 948 . 87 TRP CH2 C 122.695 0.600 1 949 . 87 TRP HH2 H 6.878 0.030 1 950 . 88 GLN H H 8.197 0.030 1 951 . 88 GLN N N 114.864 0.400 1 952 . 88 GLN CA C 60.150 0.600 1 953 . 88 GLN HA H 3.805 0.030 1 954 . 88 GLN C C 177.439 0.600 1 955 . 88 GLN CB C 27.527 0.600 1 956 . 88 GLN HB2 H 1.965 0.030 1 957 . 88 GLN HB3 H 2.280 0.030 1 958 . 88 GLN CG C 32.722 0.600 1 959 . 88 GLN HG2 H 2.261 0.030 1 960 . 88 GLN HG3 H 1.921 0.030 1 961 . 88 GLN NE2 N 109.483 0.400 1 962 . 88 GLN HE21 H 6.942 0.030 1 963 . 88 GLN HE22 H 7.540 0.030 1 964 . 89 ASP H H 7.895 0.030 1 965 . 89 ASP N N 119.753 0.400 1 966 . 89 ASP CA C 58.550 0.600 1 967 . 89 ASP HA H 4.370 0.030 1 968 . 89 ASP CB C 44.393 0.600 1 969 . 89 ASP HB2 H 2.738 0.030 1 970 . 90 LEU H H 8.487 0.030 1 971 . 90 LEU N N 117.610 0.400 1 972 . 90 LEU CA C 57.348 0.600 1 973 . 90 LEU HA H 3.788 0.030 1 974 . 90 LEU C C 176.060 0.600 1 975 . 90 LEU CB C 42.253 0.600 1 976 . 90 LEU HB2 H 2.036 0.030 1 977 . 90 LEU HB3 H 1.447 0.030 1 978 . 90 LEU CG C 26.646 0.600 1 979 . 90 LEU CD1 C 23.783 0.600 1 980 . 90 LEU HD1 H 0.703 0.030 1 981 . 90 LEU CD2 C 25.560 0.600 1 982 . 90 LEU HD2 H 0.768 0.030 1 983 . 90 LEU HG H 1.727 0.030 1 984 . 91 VAL H H 7.293 0.030 1 985 . 91 VAL N N 113.133 0.400 1 986 . 91 VAL CA C 65.103 0.600 1 987 . 91 VAL HA H 3.641 0.030 1 988 . 91 VAL C C 174.901 0.600 1 989 . 91 VAL CB C 32.345 0.600 1 990 . 91 VAL HB H 2.074 0.030 1 991 . 91 VAL CG1 C 22.810 0.600 1 992 . 91 VAL HG1 H 1.093 0.030 1 993 . 91 VAL CG2 C 23.788 0.600 1 994 . 91 VAL HG2 H 1.284 0.030 1 995 . 92 GLN H H 8.484 0.030 1 996 . 92 GLN N N 118.289 0.400 1 997 . 92 GLN CA C 59.128 0.600 1 998 . 92 GLN HA H 4.141 0.030 1 999 . 92 GLN C C 176.450 0.600 1 1000 . 92 GLN CB C 29.571 0.600 1 1001 . 92 GLN HB2 H 2.029 0.030 1 1002 . 92 GLN HB3 H 2.134 0.030 1 1003 . 92 GLN CG C 36.339 0.600 1 1004 . 92 GLN HG2 H 2.620 0.030 1 1005 . 92 GLN HG3 H 2.341 0.030 1 1006 . 92 GLN NE2 N 112.907 0.400 1 1007 . 92 GLN HE21 H 7.625 0.030 1 1008 . 92 GLN HE22 H 7.238 0.030 1 1009 . 93 ASN H H 8.099 0.030 1 1010 . 93 ASN N N 119.626 0.400 1 1011 . 93 ASN CA C 51.714 0.600 1 1012 . 93 ASN HA H 4.957 0.030 1 1013 . 93 ASN C C 175.167 0.600 1 1014 . 93 ASN CB C 38.481 0.600 1 1015 . 93 ASN HB2 H 2.617 0.030 1 1016 . 93 ASN ND2 N 115.353 0.400 1 1017 . 93 ASN HD21 H 6.881 0.030 1 1018 . 93 ASN HD22 H 7.777 0.030 1 1019 . 94 SER H H 7.790 0.030 1 1020 . 94 SER N N 115.994 0.400 1 1021 . 94 SER CA C 57.257 0.600 1 1022 . 94 SER HA H 4.909 0.030 1 1023 . 94 SER CB C 63.504 0.600 1 1024 . 94 SER HB2 H 3.544 0.030 1 1025 . 94 SER HB3 H 3.731 0.030 1 1026 . 95 PRO CA C 60.572 0.600 1 1027 . 95 PRO HA H 4.721 0.030 1 1028 . 95 PRO CB C 31.052 0.600 1 1029 . 95 PRO HB2 H 2.039 0.030 1 1030 . 95 PRO HB3 H 0.802 0.030 1 1031 . 95 PRO CG C 26.206 0.600 1 1032 . 95 PRO HG2 H 0.063 0.030 1 1033 . 95 PRO HG3 H 1.043 0.030 1 1034 . 95 PRO CD C 50.438 0.600 1 1035 . 95 PRO HD2 H 2.946 0.030 1 1036 . 95 PRO HD3 H 3.638 0.030 1 1037 . 96 PRO CA C 64.807 0.600 1 1038 . 96 PRO HA H 4.193 0.030 1 1039 . 96 PRO C C 176.590 0.600 1 1040 . 96 PRO CB C 31.822 0.600 1 1041 . 96 PRO HB2 H 2.372 0.030 1 1042 . 96 PRO HB3 H 2.009 0.030 1 1043 . 96 PRO CG C 27.968 0.600 1 1044 . 96 PRO HG2 H 2.132 0.030 1 1045 . 96 PRO HG3 H 2.070 0.030 1 1046 . 96 PRO CD C 50.478 0.600 1 1047 . 96 PRO HD2 H 3.751 0.030 1 1048 . 96 PRO HD3 H 3.671 0.030 1 1049 . 97 TRP H H 6.211 0.030 1 1050 . 97 TRP N N 108.919 0.400 1 1051 . 97 TRP CA C 54.097 0.600 1 1052 . 97 TRP HA H 4.507 0.030 1 1053 . 97 TRP C C 176.305 0.600 1 1054 . 97 TRP CB C 27.551 0.600 1 1055 . 97 TRP HB2 H 3.425 0.030 1 1056 . 97 TRP HB3 H 3.052 0.030 1 1057 . 97 TRP CD1 C 127.983 0.600 1 1058 . 97 TRP HD1 H 7.268 0.030 1 1059 . 97 TRP NE1 N 134.432 0.400 1 1060 . 97 TRP HE1 H 11.074 0.030 1 1061 . 97 TRP CE3 C 121.920 0.600 1 1062 . 97 TRP HE3 H 7.069 0.030 1 1063 . 97 TRP CZ2 C 113.443 0.600 1 1064 . 97 TRP HZ2 H 6.919 0.030 1 1065 . 97 TRP CZ3 C 120.933 0.600 1 1066 . 97 TRP HZ3 H 6.674 0.030 1 1067 . 97 TRP CH2 C 123.576 0.600 1 1068 . 97 TRP HH2 H 6.786 0.030 1 1069 . 98 ILE H H 6.689 0.030 1 1070 . 98 ILE N N 119.408 0.400 1 1071 . 98 ILE CA C 62.531 0.600 1 1072 . 98 ILE HA H 3.842 0.030 1 1073 . 98 ILE C C 174.926 0.600 1 1074 . 98 ILE CB C 37.984 0.600 1 1075 . 98 ILE HB H 1.039 0.030 1 1076 . 98 ILE CG2 C 16.151 0.600 1 1077 . 98 ILE CG1 C 27.268 0.600 1 1078 . 98 ILE HG12 H 0.316 0.030 1 1079 . 98 ILE HG13 H 0.098 0.030 1 1080 . 98 ILE CD1 C 13.673 0.600 1 1081 . 98 ILE HD1 H -0.117 0.030 1 1082 . 98 ILE HG2 H 0.043 0.030 1 1083 . 99 LYS H H 7.605 0.030 1 1084 . 99 LYS N N 123.330 0.400 1 1085 . 99 LYS CA C 55.712 0.600 1 1086 . 99 LYS HA H 4.370 0.030 1 1087 . 99 LYS C C 176.063 0.600 1 1088 . 99 LYS CB C 33.183 0.600 1 1089 . 99 LYS HB2 H 1.820 0.030 1 1090 . 99 LYS HB3 H 1.725 0.030 1 1091 . 99 LYS CG C 24.553 0.600 1 1092 . 99 LYS HG2 H 1.382 0.030 1 1093 . 99 LYS HG3 H 1.346 0.030 1 1094 . 99 LYS CD C 29.016 0.600 1 1095 . 99 LYS HD2 H 1.657 0.030 1 1096 . 99 LYS CE C 42.203 0.600 1 1097 . 99 LYS HE2 H 2.972 0.030 1 1098 . 99 LYS HZ H 6.544 0.030 1 1099 . 100 SER H H 8.310 0.030 1 1100 . 100 SER N N 117.450 0.400 1 1101 . 100 SER CA C 58.384 0.600 1 1102 . 100 SER HA H 4.507 0.030 1 1103 . 100 SER C C 173.952 0.600 1 1104 . 100 SER CB C 63.971 0.600 1 1105 . 100 SER HB2 H 3.902 0.030 1 1106 . 101 GLY H H 8.052 0.030 1 1107 . 101 GLY N N 116.868 0.400 1 1108 . 101 GLY CA C 46.197 0.600 1 1109 . 101 GLY HA2 H 3.790 0.030 1 1110 . 102 PRO CA C 63.260 0.600 1 1111 . 102 PRO HA H 4.510 0.030 1 1112 . 102 PRO C C 177.421 0.600 1 1113 . 102 PRO CB C 32.250 0.600 1 1114 . 102 PRO HB2 H 2.320 0.030 1 1115 . 102 PRO CG C 27.150 0.600 1 1116 . 102 PRO HG2 H 2.040 0.030 1 1117 . 102 PRO CD C 49.880 0.600 1 1118 . 102 PRO HD2 H 3.667 0.030 1 1119 . 103 SER H H 8.533 0.030 1 1120 . 103 SER N N 116.528 0.400 1 1121 . 103 SER CA C 58.373 0.600 1 1122 . 103 SER HA H 4.581 0.030 1 1123 . 103 SER C C 174.786 0.600 1 1124 . 103 SER CB C 64.143 0.600 1 1125 . 103 SER HB2 H 3.908 0.030 1 1126 . 104 SER H H 8.330 0.030 1 1127 . 104 SER N N 117.870 0.400 1 1128 . 104 SER CA C 58.220 0.600 1 1129 . 104 SER HA H 4.530 0.030 1 1130 . 104 SER C C 175.081 0.600 1 1131 . 104 SER CB C 64.150 0.600 1 1132 . 104 SER HB2 H 3.900 0.030 1 1133 . 105 GLY H H 8.270 0.030 1 1134 . 105 GLY N N 110.810 0.400 1 1135 . 105 GLY CA C 44.270 0.600 1 1136 . 105 GLY HA3 H 4.369 0.030 1 1137 . 105 GLY HA2 H 3.897 0.030 1 stop_ save_