data_6339 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of AT1g01470 from Arabidopsis Thaliana ; _BMRB_accession_number 6339 _BMRB_flat_file_name bmr6339.str _Entry_type new _Submission_date 2004-10-06 _Accession_date 2004-10-06 _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 Singh Shanteri . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 755 "13C chemical shifts" 580 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-07 update BMRB 'added time domain data' 2004-10-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of AT1g01470 from Arabidopsis Thaliana' _Citation_status 'other publication status' _Citation_type 'publication other' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singh Shanteri . . 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 'LEA protein' loop_ _Keyword 'Structural Genomics' 'Protein Structure Initiative' stop_ save_ ################################## # Molecular system description # ################################## save_system_AT1g01470 _Saveframe_category molecular_system _Mol_system_name 'AT1g01470 monomer' _Abbreviation_common AT1g01470 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AT1g01470 monomer' $AT1g01470_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AT1g01470_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Arabidopsis thaliana' _Abbreviation_common 'Arabidopsis thaliana' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; MASLLDKAKDFVADKLTAIP KPEGSVTDVDLKDVNRDSVE YLAKVSVTNPYSHSIPICEI SFTFHSAGREIGKGKIPDPG SLKAKDMTALDIPVVVPYSI LFNLARDVGVDWDIDYELQI GLTIDLPVVGEFTIPISSKG EIKLPTFKDFF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 LEU 5 LEU 6 ASP 7 LYS 8 ALA 9 LYS 10 ASP 11 PHE 12 VAL 13 ALA 14 ASP 15 LYS 16 LEU 17 THR 18 ALA 19 ILE 20 PRO 21 LYS 22 PRO 23 GLU 24 GLY 25 SER 26 VAL 27 THR 28 ASP 29 VAL 30 ASP 31 LEU 32 LYS 33 ASP 34 VAL 35 ASN 36 ARG 37 ASP 38 SER 39 VAL 40 GLU 41 TYR 42 LEU 43 ALA 44 LYS 45 VAL 46 SER 47 VAL 48 THR 49 ASN 50 PRO 51 TYR 52 SER 53 HIS 54 SER 55 ILE 56 PRO 57 ILE 58 CYS 59 GLU 60 ILE 61 SER 62 PHE 63 THR 64 PHE 65 HIS 66 SER 67 ALA 68 GLY 69 ARG 70 GLU 71 ILE 72 GLY 73 LYS 74 GLY 75 LYS 76 ILE 77 PRO 78 ASP 79 PRO 80 GLY 81 SER 82 LEU 83 LYS 84 ALA 85 LYS 86 ASP 87 MET 88 THR 89 ALA 90 LEU 91 ASP 92 ILE 93 PRO 94 VAL 95 VAL 96 VAL 97 PRO 98 TYR 99 SER 100 ILE 101 LEU 102 PHE 103 ASN 104 LEU 105 ALA 106 ARG 107 ASP 108 VAL 109 GLY 110 VAL 111 ASP 112 TRP 113 ASP 114 ILE 115 ASP 116 TYR 117 GLU 118 LEU 119 GLN 120 ILE 121 GLY 122 LEU 123 THR 124 ILE 125 ASP 126 LEU 127 PRO 128 VAL 129 VAL 130 GLY 131 GLU 132 PHE 133 THR 134 ILE 135 PRO 136 ILE 137 SER 138 SER 139 LYS 140 GLY 141 GLU 142 ILE 143 LYS 144 LEU 145 PRO 146 THR 147 PHE 148 LYS 149 ASP 150 PHE 151 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-09 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 1XO8 "Solution Structure Of At1g01470 From Arabidopsis Thaliana" 100.00 151 100.00 100.00 4.22e-102 EMBL CAA71174 "putative desication related protein LEA14 [Arabidopsis thaliana]" 100.00 151 100.00 100.00 4.22e-102 EMBL CAA73311 "LEA protein [Arabidopsis thaliana]" 100.00 151 100.00 100.00 4.22e-102 GB AAF81307 "Contains similarity to a late embryogenesis abundant protein LEA14-A from Gossypium hirsutum gi|1170745. ESTs gb|T88650, gb|AI9" 100.00 151 100.00 100.00 4.22e-102 GB AAL75906 "At1g01470/F22L4_2 [Arabidopsis thaliana]" 100.00 151 100.00 100.00 4.22e-102 GB AAT71983 "At1g01470 [Arabidopsis thaliana]" 100.00 151 100.00 100.00 4.22e-102 GB AEE27291 "putative desiccation-related protein LEA14 [Arabidopsis thaliana]" 100.00 151 100.00 100.00 4.22e-102 GB EOA38647 "hypothetical protein CARUB_v10010557mg [Capsella rubella]" 100.00 151 98.68 99.34 4.57e-101 REF NP_171654 "putative desiccation-related protein LEA14 [Arabidopsis thaliana]" 100.00 151 100.00 100.00 4.22e-102 REF XP_006305749 "hypothetical protein CARUB_v10010557mg [Capsella rubella]" 100.00 151 98.68 99.34 4.57e-101 SP O03983 "RecName: Full=Probable desiccation-related protein LEA14 [Arabidopsis thaliana]" 100.00 151 100.00 100.00 4.22e-102 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AT1g01470_monomer 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $AT1g01470_monomer 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $AT1g01470_monomer . mM 0.5 1.0 '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HCCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label . save_ save_CCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label . save_ save_CCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-TOCSY _Sample_label . save_ save_HBHACONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label . save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_6 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio H2O H 1 protons ppm 4.773 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'AT1g01470 monomer' _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 . 2 ALA CA C 52.793 0.3 1 2 . 2 ALA HA H 4.394 0.03 1 3 . 2 ALA CB C 19.579 0.3 1 4 . 2 ALA HB H 1.393 0.03 1 5 . 2 ALA C C 177.557 0.3 1 6 . 3 SER N N 115.568 0.3 1 7 . 3 SER H H 8.420 0.03 1 8 . 3 SER CA C 58.298 0.3 1 9 . 3 SER HA H 4.436 0.03 1 10 . 3 SER CB C 64.105 0.3 1 11 . 3 SER HB3 H 3.845 0.03 2 12 . 3 SER C C 174.818 0.3 1 13 . 4 LEU N N 124.513 0.3 1 14 . 4 LEU H H 8.374 0.03 1 15 . 4 LEU CA C 55.929 0.3 1 16 . 4 LEU HA H 4.523 0.03 1 17 . 4 LEU CB C 42.308 0.3 1 18 . 4 LEU HB3 H 1.341 0.03 2 19 . 4 LEU HB2 H 1.599 0.03 2 20 . 4 LEU HD2 H 0.875 0.03 2 21 . 5 LEU N N 121.382 0.3 1 22 . 5 LEU H H 8.089 0.03 1 23 . 5 LEU CA C 55.717 0.3 1 24 . 5 LEU CB C 42.317 0.3 1 25 . 6 ASP N N 120.835 0.3 1 26 . 6 ASP H H 8.103 0.03 1 27 . 6 ASP CA C 54.822 0.3 1 28 . 6 ASP CB C 41.323 0.3 1 29 . 6 ASP C C 176.449 0.3 1 30 . 7 LYS N N 121.543 0.3 1 31 . 7 LYS H H 8.106 0.03 1 32 . 7 LYS CA C 56.648 0.3 1 33 . 7 LYS HA H 4.231 0.03 1 34 . 7 LYS CB C 33.008 0.3 1 35 . 7 LYS HB3 H 1.658 0.03 2 36 . 7 LYS HB2 H 1.788 0.03 2 37 . 7 LYS CG C 24.668 0.3 1 38 . 7 LYS HG3 H 1.412 0.03 2 39 . 7 LYS CD C 28.936 0.3 1 40 . 7 LYS CE C 42.113 0.3 1 41 . 7 LYS HE3 H 2.962 0.03 2 42 . 7 LYS C C 176.630 0.3 1 43 . 8 ALA N N 124.230 0.3 1 44 . 8 ALA H H 8.207 0.03 1 45 . 8 ALA CA C 52.877 0.3 1 46 . 8 ALA HA H 4.717 0.03 1 47 . 8 ALA CB C 19.186 0.3 1 48 . 8 ALA HB H 1.404 0.03 1 49 . 8 ALA C C 178.146 0.3 1 50 . 9 LYS N N 119.646 0.3 1 51 . 9 LYS H H 8.111 0.03 1 52 . 9 LYS CA C 56.829 0.3 1 53 . 9 LYS CB C 33.025 0.3 1 54 . 10 ASP N N 120.694 0.3 1 55 . 10 ASP H H 8.156 0.03 1 56 . 10 ASP CA C 54.517 0.3 1 57 . 10 ASP HA H 4.543 0.03 1 58 . 10 ASP CB C 41.238 0.3 1 59 . 10 ASP HB3 H 2.580 0.03 2 60 . 10 ASP C C 175.829 0.3 1 61 . 11 PHE N N 120.552 0.3 1 62 . 11 PHE H H 8.043 0.03 1 63 . 11 PHE CA C 58.154 0.3 1 64 . 11 PHE HA H 4.546 0.03 1 65 . 11 PHE CB C 39.577 0.3 1 66 . 11 PHE HB3 H 3.081 0.03 2 67 . 11 PHE C C 175.600 0.3 1 68 . 12 VAL N N 122.816 0.3 1 69 . 12 VAL H H 7.910 0.03 1 70 . 12 VAL CA C 62.365 0.3 1 71 . 12 VAL HA H 3.963 0.03 1 72 . 12 VAL CB C 32.999 0.3 1 73 . 12 VAL HB H 1.991 0.03 1 74 . 12 VAL CG1 C 20.995 0.3 1 75 . 12 VAL HG1 H 0.890 0.03 2 76 . 12 VAL C C 175.701 0.3 1 77 . 13 ALA N N 127.060 0.3 1 78 . 13 ALA H H 8.200 0.03 1 79 . 13 ALA CA C 53.269 0.3 1 80 . 13 ALA HA H 4.160 0.03 1 81 . 13 ALA CB C 19.343 0.3 1 82 . 13 ALA HB H 1.392 0.03 1 83 . 13 ALA C C 177.841 0.3 1 84 . 14 ASP N N 118.967 0.3 1 85 . 14 ASP H H 8.210 0.03 1 86 . 14 ASP CA C 54.866 0.3 1 87 . 14 ASP HA H 4.619 0.03 1 88 . 14 ASP CB C 41.387 0.3 1 89 . 14 ASP HB3 H 2.187 0.03 2 90 . 14 ASP HB2 H 2.060 0.03 2 91 . 15 LYS N N 120.578 0.3 1 92 . 15 LYS H H 8.156 0.03 1 93 . 15 LYS CA C 57.174 0.3 1 94 . 15 LYS CB C 33.004 0.3 1 95 . 16 LEU N N 120.694 0.3 1 96 . 16 LEU H H 8.190 0.03 1 97 . 16 LEU CA C 55.691 0.3 1 98 . 16 LEU HA H 4.300 0.03 1 99 . 16 LEU CB C 42.002 0.3 1 100 . 16 LEU HB3 H 1.629 0.03 2 101 . 16 LEU CG C 27.171 0.3 1 102 . 16 LEU CD1 C 25.115 0.3 1 103 . 16 LEU HD1 H 0.873 0.03 2 104 . 16 LEU CD2 C 23.520 0.3 1 105 . 16 LEU C C 178.079 0.3 1 106 . 17 THR N N 114.045 0.3 1 107 . 17 THR H H 7.905 0.03 1 108 . 17 THR CA C 63.197 0.3 1 109 . 17 THR HA H 4.147 0.03 1 110 . 17 THR CB C 69.532 0.3 1 111 . 17 THR HB H 4.169 0.03 1 112 . 17 THR CG2 C 21.036 0.3 1 113 . 17 THR HG2 H 1.230 0.03 1 114 . 17 THR C C 174.382 0.3 1 115 . 18 ALA N N 125.079 0.3 1 116 . 18 ALA H H 8.030 0.03 1 117 . 18 ALA CA C 52.234 0.3 1 118 . 18 ALA HA H 4.333 0.03 1 119 . 18 ALA CB C 19.326 0.3 1 120 . 18 ALA HB H 1.347 0.03 1 121 . 18 ALA C C 177.134 0.3 1 122 . 19 ILE N N 120.411 0.3 1 123 . 19 ILE H H 7.695 0.03 1 124 . 19 ILE CA C 58.405 0.3 1 125 . 19 ILE HA H 4.463 0.03 1 126 . 19 ILE CB C 38.742 0.3 1 127 . 19 ILE HB H 1.789 0.03 1 128 . 19 ILE CG1 C 26.600 0.3 2 129 . 19 ILE HG13 H 1.411 0.03 1 130 . 19 ILE HG12 H 1.157 0.03 1 131 . 19 ILE CD1 C 17.600 0.3 1 132 . 19 ILE HD1 H 0.814 0.03 1 133 . 19 ILE CG2 C 12.950 0.3 1 134 . 19 ILE HG2 H 0.774 0.03 1 135 . 20 PRO CA C 62.953 0.3 1 136 . 20 PRO HA H 4.350 0.03 1 137 . 20 PRO CB C 31.869 0.3 1 138 . 20 PRO HB3 H 2.032 0.03 2 139 . 20 PRO HB2 H 1.308 0.03 2 140 . 20 PRO CG C 27.325 0.3 1 141 . 20 PRO HG3 H 2.032 0.03 2 142 . 20 PRO HG2 H 1.763 0.03 2 143 . 20 PRO CD C 51.122 0.3 1 144 . 20 PRO HD3 H 4.098 0.03 2 145 . 20 PRO HD2 H 4.130 0.03 2 146 . 20 PRO C C 177.411 0.3 1 147 . 21 LYS N N 121.118 0.3 1 148 . 21 LYS H H 8.650 0.03 1 149 . 21 LYS CA C 53.182 0.3 1 150 . 21 LYS HA H 4.957 0.03 1 151 . 21 LYS CB C 34.216 0.3 1 152 . 21 LYS HB3 H 1.527 0.03 2 153 . 21 LYS HB2 H 1.262 0.03 2 154 . 22 PRO CA C 63.307 0.3 1 155 . 22 PRO HA H 4.722 0.03 1 156 . 22 PRO CB C 32.331 0.3 1 157 . 22 PRO HB3 H 1.907 0.03 2 158 . 22 PRO CG C 27.958 0.3 1 159 . 22 PRO HG3 H 1.620 0.03 2 160 . 22 PRO CD C 51.242 0.3 1 161 . 22 PRO C C 173.450 0.3 1 162 . 23 GLU N N 118.572 0.3 1 163 . 23 GLU H H 7.837 0.03 1 164 . 23 GLU CA C 54.679 0.3 1 165 . 23 GLU HA H 4.735 0.03 1 166 . 23 GLU CB C 33.545 0.3 1 167 . 23 GLU HB3 H 1.906 0.03 2 168 . 23 GLU HB2 H 2.068 0.03 2 169 . 23 GLU CG C 36.031 0.3 1 170 . 23 GLU HG3 H 2.271 0.03 2 171 . 23 GLU HG2 H 2.068 0.03 2 172 . 23 GLU C C 175.207 0.3 1 173 . 24 GLY N N 108.528 0.3 1 174 . 24 GLY H H 8.905 0.03 1 175 . 24 GLY CA C 45.486 0.3 1 176 . 24 GLY HA3 H 5.536 0.03 2 177 . 24 GLY HA2 H 3.478 0.03 2 178 . 24 GLY C C 171.784 0.3 1 179 . 25 SER N N 112.630 0.3 1 180 . 25 SER H H 8.614 0.03 1 181 . 25 SER CA C 57.455 0.3 1 182 . 25 SER HA H 4.790 0.03 1 183 . 25 SER CB C 66.156 0.3 1 184 . 25 SER HB3 H 3.705 0.03 2 185 . 25 SER HB2 H 3.829 0.03 2 186 . 25 SER C C 172.628 0.3 1 187 . 26 VAL N N 123.806 0.3 1 188 . 26 VAL H H 8.918 0.03 1 189 . 26 VAL CA C 61.927 0.3 1 190 . 26 VAL HA H 4.570 0.03 1 191 . 26 VAL CB C 32.371 0.3 1 192 . 26 VAL HB H 2.050 0.03 1 193 . 26 VAL CG2 C 21.756 0.3 1 194 . 26 VAL HG2 H 0.767 0.03 2 195 . 26 VAL C C 176.818 0.3 1 196 . 27 THR N N 121.118 0.3 1 197 . 27 THR H H 9.237 0.03 1 198 . 27 THR CA C 63.183 0.3 1 199 . 27 THR HA H 4.302 0.03 1 200 . 27 THR CB C 68.862 0.3 1 201 . 27 THR HB H 4.182 0.03 1 202 . 27 THR CG2 C 21.362 0.3 1 203 . 27 THR HG2 H 1.110 0.03 1 204 . 27 THR C C 174.737 0.3 1 205 . 28 ASP N N 119.138 0.3 1 206 . 28 ASP H H 7.380 0.03 1 207 . 28 ASP CA C 54.765 0.3 1 208 . 28 ASP HA H 4.830 0.03 1 209 . 28 ASP CB C 45.773 0.3 1 210 . 28 ASP HB3 H 2.465 0.03 1 211 . 28 ASP HB2 H 2.465 0.03 1 212 . 28 ASP C C 174.272 0.3 1 213 . 29 VAL N N 120.594 0.3 1 214 . 29 VAL H H 8.150 0.03 1 215 . 29 VAL CA C 63.067 0.3 1 216 . 29 VAL HA H 4.661 0.03 1 217 . 29 VAL CB C 33.004 0.3 1 218 . 29 VAL HB H 1.574 0.03 1 219 . 29 VAL CG2 C 21.115 0.3 1 220 . 29 VAL HG2 H 0.521 0.03 2 221 . 29 VAL CG1 C 21.115 0.3 1 222 . 29 VAL HG1 H 0.226 0.03 2 223 . 29 VAL C C 175.746 0.3 1 224 . 30 ASP N N 125.079 0.3 1 225 . 30 ASP H H 8.270 0.03 1 226 . 30 ASP CA C 53.006 0.3 1 227 . 30 ASP HA H 5.094 0.03 1 228 . 30 ASP CB C 44.669 0.3 1 229 . 30 ASP HB3 H 2.519 0.03 2 230 . 30 ASP C C 175.210 0.3 1 231 . 31 LEU N N 125.362 0.3 1 232 . 31 LEU H H 8.675 0.03 1 233 . 31 LEU CA C 56.331 0.3 1 234 . 31 LEU HA H 3.774 0.03 1 235 . 31 LEU CB C 41.600 0.3 1 236 . 31 LEU HB3 H 1.629 0.03 2 237 . 31 LEU HB2 H 1.358 0.03 2 238 . 31 LEU CG C 25.100 0.3 1 239 . 31 LEU HG H 1.070 0.03 1 240 . 31 LEU CD1 C 25.712 0.3 1 241 . 31 LEU HD1 H 0.463 0.03 2 242 . 31 LEU CD2 C 22.712 0.3 1 243 . 31 LEU HD2 H 0.190 0.03 2 244 . 31 LEU C C 175.152 0.3 1 245 . 32 LYS N N 130.229 0.3 1 246 . 32 LYS H H 8.920 0.03 1 247 . 32 LYS CA C 56.364 0.3 1 248 . 32 LYS HA H 4.406 0.03 1 249 . 32 LYS CB C 34.505 0.3 1 250 . 32 LYS HB3 H 1.482 0.03 2 251 . 32 LYS HB2 H 1.420 0.03 2 252 . 32 LYS CG C 24.584 0.3 1 253 . 32 LYS HG3 H 1.279 0.03 2 254 . 32 LYS HG2 H 1.200 0.03 2 255 . 32 LYS CD C 28.601 0.3 1 256 . 32 LYS HD3 H 1.647 0.03 2 257 . 32 LYS HD2 H 1.453 0.03 2 258 . 32 LYS CE C 41.941 0.3 1 259 . 32 LYS HE3 H 2.716 0.03 2 260 . 32 LYS HE2 H 2.500 0.03 2 261 . 32 LYS C C 175.166 0.3 1 262 . 33 ASP N N 117.157 0.3 1 263 . 33 ASP H H 7.829 0.03 1 264 . 33 ASP CA C 54.315 0.3 1 265 . 33 ASP HA H 4.793 0.03 1 266 . 33 ASP CB C 44.860 0.3 1 267 . 33 ASP HB3 H 2.454 0.03 1 268 . 33 ASP HB2 H 2.454 0.03 1 269 . 33 ASP C C 173.345 0.3 1 270 . 34 VAL N N 119.987 0.3 1 271 . 34 VAL H H 8.145 0.03 1 272 . 34 VAL CA C 61.763 0.3 1 273 . 34 VAL HA H 4.480 0.03 1 274 . 34 VAL CB C 34.746 0.3 1 275 . 34 VAL HB H 1.947 0.03 1 276 . 34 VAL CG2 C 22.080 0.3 1 277 . 34 VAL HG2 H 0.870 0.03 1 278 . 34 VAL CG1 C 20.718 0.3 1 279 . 34 VAL HG1 H 0.870 0.03 1 280 . 34 VAL C C 173.787 0.3 1 281 . 35 ASN N N 124.796 0.3 1 282 . 35 ASN H H 8.595 0.03 1 283 . 35 ASN CA C 52.281 0.3 1 284 . 35 ASN HA H 4.607 0.03 1 285 . 35 ASN CB C 40.196 0.3 1 286 . 35 ASN HB3 H 2.890 0.03 2 287 . 35 ASN HB2 H 3.004 0.03 2 288 . 35 ASN ND2 N 116.076 0.3 1 289 . 35 ASN HD21 H 6.815 0.03 2 290 . 35 ASN HD22 H 7.641 0.03 2 291 . 35 ASN C C 172.384 0.3 1 292 . 36 ARG N N 113.055 0.3 1 293 . 36 ARG H H 7.923 0.03 1 294 . 36 ARG CA C 58.194 0.3 1 295 . 36 ARG HA H 3.227 0.03 1 296 . 36 ARG CB C 29.819 0.3 1 297 . 36 ARG HB3 H 1.513 0.03 1 298 . 36 ARG HB2 H 1.513 0.03 1 299 . 36 ARG CG C 27.062 0.3 1 300 . 36 ARG HG3 H 1.403 0.03 2 301 . 36 ARG HG2 H 1.340 0.03 2 302 . 36 ARG CD C 43.254 0.3 1 303 . 36 ARG HD2 H 2.970 0.03 2 304 . 36 ARG NE N 84.762 0.3 1 305 . 36 ARG HE H 7.112 0.03 1 306 . 36 ARG C C 175.684 0.3 1 307 . 37 ASP N N 114.894 0.3 1 308 . 37 ASP H H 8.471 0.03 1 309 . 37 ASP CA C 55.660 0.3 1 310 . 37 ASP HA H 4.899 0.03 1 311 . 37 ASP CB C 43.254 0.3 1 312 . 37 ASP HB3 H 2.700 0.03 2 313 . 37 ASP HB2 H 2.688 0.03 2 314 . 37 ASP C C 178.186 0.3 1 315 . 38 SER N N 118.006 0.3 1 316 . 38 SER H H 8.435 0.03 1 317 . 38 SER CA C 58.563 0.3 1 318 . 38 SER HA H 5.128 0.03 1 319 . 38 SER CB C 66.898 0.3 1 320 . 38 SER HB3 H 3.690 0.03 2 321 . 38 SER HB2 H 3.564 0.03 2 322 . 38 SER C C 170.663 0.3 1 323 . 39 VAL N N 122.957 0.3 1 324 . 39 VAL H H 9.278 0.03 1 325 . 39 VAL CA C 61.525 0.3 1 326 . 39 VAL HA H 4.380 0.03 1 327 . 39 VAL CB C 33.821 0.3 1 328 . 39 VAL HB H 1.999 0.03 1 329 . 39 VAL CG2 C 22.358 0.3 1 330 . 39 VAL HG2 H 1.030 0.03 2 331 . 39 VAL CG1 C 22.358 0.3 1 332 . 39 VAL HG1 H 0.640 0.03 2 333 . 39 VAL C C 173.148 0.3 1 334 . 40 GLU N N 126.494 0.3 1 335 . 40 GLU H H 8.721 0.03 1 336 . 40 GLU CA C 54.829 0.3 1 337 . 40 GLU HA H 4.984 0.03 1 338 . 40 GLU CB C 32.574 0.3 1 339 . 40 GLU HB3 H 1.763 0.03 2 340 . 40 GLU HB2 H 1.880 0.03 2 341 . 40 GLU CG C 35.900 0.3 1 342 . 40 GLU HG3 H 2.120 0.03 2 343 . 40 GLU HG2 H 2.293 0.03 2 344 . 41 TYR N N 125.787 0.3 1 345 . 41 TYR H H 9.082 0.03 1 346 . 41 TYR CA C 57.361 0.3 1 347 . 41 TYR HA H 4.840 0.03 1 348 . 41 TYR CB C 40.742 0.3 1 349 . 41 TYR HB3 H 2.290 0.03 2 350 . 41 TYR HB2 H 2.256 0.03 2 351 . 41 TYR HD1 H 6.553 0.03 3 352 . 41 TYR HE1 H 6.663 0.03 3 353 . 42 LEU N N 123.382 0.3 1 354 . 42 LEU H H 9.211 0.03 1 355 . 42 LEU CA C 53.642 0.3 1 356 . 42 LEU HA H 4.707 0.03 1 357 . 42 LEU CB C 44.859 0.3 1 358 . 42 LEU HB3 H 1.664 0.03 2 359 . 42 LEU HB2 H 1.100 0.03 2 360 . 42 LEU CG C 27.260 0.3 1 361 . 42 LEU HG H 1.159 0.03 1 362 . 42 LEU CD1 C 25.399 0.3 1 363 . 42 LEU HD1 H 0.704 0.03 2 364 . 42 LEU CD2 C 23.323 0.3 1 365 . 42 LEU HD2 H 0.630 0.03 2 366 . 42 LEU C C 175.080 0.3 1 367 . 43 ALA N N 130.596 0.3 1 368 . 43 ALA H H 8.747 0.03 1 369 . 43 ALA CA C 50.079 0.3 1 370 . 43 ALA HA H 5.090 0.03 1 371 . 43 ALA CB C 20.083 0.3 1 372 . 43 ALA HB H 0.983 0.03 1 373 . 43 ALA C C 174.876 0.3 1 374 . 44 LYS N N 123.948 0.3 1 375 . 44 LYS H H 8.645 0.03 1 376 . 44 LYS CA C 55.527 0.3 1 377 . 44 LYS HA H 4.980 0.03 1 378 . 44 LYS CB C 33.280 0.3 1 379 . 44 LYS HB3 H 1.751 0.03 2 380 . 44 LYS HB2 H 1.561 0.03 2 381 . 44 LYS CG C 24.568 0.3 1 382 . 44 LYS HG3 H 1.321 0.03 2 383 . 44 LYS CD C 28.974 0.3 1 384 . 44 LYS HD3 H 1.677 0.03 2 385 . 44 LYS CE C 42.008 0.3 1 386 . 44 LYS HE3 H 2.828 0.03 2 387 . 44 LYS C C 175.381 0.3 1 388 . 45 VAL N N 123.099 0.3 1 389 . 45 VAL H H 8.838 0.03 1 390 . 45 VAL CA C 59.872 0.3 1 391 . 45 VAL HA H 4.988 0.03 1 392 . 45 VAL CB C 35.315 0.3 1 393 . 45 VAL HB H 1.910 0.03 1 394 . 45 VAL CG2 C 22.250 0.3 1 395 . 45 VAL HG2 H 0.755 0.03 2 396 . 45 VAL CG1 C 22.250 0.3 1 397 . 45 VAL HG1 H 0.750 0.03 2 398 . 45 VAL C C 174.948 0.3 1 399 . 46 SER N N 121.967 0.3 1 400 . 46 SER H H 8.924 0.03 1 401 . 46 SER CA C 57.361 0.3 1 402 . 46 SER HA H 5.301 0.03 1 403 . 46 SER CB C 65.368 0.3 1 404 . 46 SER HB3 H 3.641 0.03 2 405 . 46 SER HB2 H 3.730 0.03 2 406 . 46 SER C C 174.862 0.3 1 407 . 47 VAL N N 125.928 0.3 1 408 . 47 VAL H H 9.067 0.03 1 409 . 47 VAL CA C 60.384 0.3 1 410 . 47 VAL HA H 5.150 0.03 1 411 . 47 VAL CB C 34.993 0.3 1 412 . 47 VAL HB H 1.900 0.03 1 413 . 47 VAL CG2 C 22.165 0.3 1 414 . 47 VAL HG2 H 0.960 0.03 2 415 . 47 VAL CG1 C 18.773 0.3 1 416 . 47 VAL HG1 H 0.863 0.03 2 417 . 47 VAL C C 175.821 0.3 1 418 . 48 THR N N 121.967 0.3 1 419 . 48 THR H H 9.243 0.03 1 420 . 48 THR CA C 61.963 0.3 1 421 . 48 THR HA H 4.586 0.03 1 422 . 48 THR CB C 70.034 0.3 1 423 . 48 THR HB H 4.158 0.03 1 424 . 48 THR CG2 C 22.115 0.3 1 425 . 48 THR HG2 H 1.168 0.03 1 426 . 48 THR C C 172.696 0.3 1 427 . 49 ASN N N 116.733 0.3 1 428 . 49 ASN H H 7.672 0.03 1 429 . 49 ASN CA C 49.207 0.3 1 430 . 49 ASN HA H 5.226 0.03 1 431 . 49 ASN CB C 41.591 0.3 1 432 . 49 ASN HB3 H 2.830 0.03 2 433 . 49 ASN HB2 H 3.510 0.03 2 434 . 49 ASN ND2 N 107.962 0.3 1 435 . 49 ASN HD21 H 6.759 0.03 2 436 . 49 ASN HD22 H 6.400 0.03 2 437 . 50 PRO CA C 62.525 0.3 1 438 . 50 PRO HA H 4.430 0.03 1 439 . 50 PRO CB C 32.770 0.3 1 440 . 50 PRO HB3 H 2.306 0.03 2 441 . 50 PRO HB2 H 1.998 0.03 2 442 . 50 PRO CG C 25.395 0.3 1 443 . 50 PRO HG3 H 2.075 0.03 2 444 . 50 PRO CD C 51.300 0.3 1 445 . 50 PRO C C 176.860 0.3 1 446 . 51 TYR N N 119.704 0.3 1 447 . 51 TYR H H 7.931 0.03 1 448 . 51 TYR CA C 59.172 0.3 1 449 . 51 TYR HA H 4.267 0.03 1 450 . 51 TYR CB C 38.787 0.3 1 451 . 51 TYR HB3 H 3.147 0.03 2 452 . 51 TYR HB2 H 2.572 0.03 2 453 . 51 TYR CD1 C 133.837 0.3 3 454 . 51 TYR HD1 H 6.886 0.03 3 455 . 51 TYR HE1 H 6.611 0.03 3 456 . 51 TYR C C 175.638 0.3 1 457 . 52 SER N N 113.762 0.3 1 458 . 52 SER H H 8.788 0.03 1 459 . 52 SER CA C 59.011 0.3 1 460 . 52 SER HA H 4.220 0.03 1 461 . 52 SER CB C 63.200 0.3 1 462 . 52 SER HB3 H 3.960 0.03 2 463 . 52 SER HB2 H 4.055 0.03 2 464 . 52 SER C C 172.366 0.3 1 465 . 53 HIS N N 116.591 0.3 1 466 . 53 HIS H H 7.065 0.03 1 467 . 53 HIS CA C 53.524 0.3 1 468 . 53 HIS HA H 4.882 0.03 1 469 . 53 HIS CB C 32.289 0.3 1 470 . 53 HIS HB3 H 3.182 0.03 2 471 . 53 HIS HB2 H 3.143 0.03 2 472 . 53 HIS CE1 C 137.938 0.3 1 473 . 53 HIS HE1 H 7.455 0.03 4 474 . 53 HIS C C 173.724 0.3 1 475 . 54 SER N N 116.026 0.3 1 476 . 54 SER H H 8.764 0.03 1 477 . 54 SER CA C 58.062 0.3 1 478 . 54 SER HA H 4.544 0.03 1 479 . 54 SER CB C 63.844 0.3 1 480 . 54 SER HB3 H 3.815 0.03 2 481 . 54 SER C C 174.944 0.3 1 482 . 55 ILE N N 123.665 0.3 1 483 . 55 ILE H H 7.920 0.03 1 484 . 55 ILE CA C 56.570 0.3 1 485 . 55 ILE HA H 4.890 0.03 1 486 . 55 ILE CB C 41.692 0.3 1 487 . 55 ILE HB H 1.714 0.03 1 488 . 55 ILE CG1 C 26.650 0.3 2 489 . 55 ILE HG13 H 1.429 0.03 1 490 . 55 ILE HG12 H 1.250 0.03 1 491 . 55 ILE CD1 C 17.386 0.3 1 492 . 55 ILE HD1 H 0.883 0.03 1 493 . 55 ILE CG2 C 12.850 0.3 1 494 . 55 ILE HG2 H 0.578 0.03 1 495 . 56 PRO CA C 63.880 0.3 1 496 . 56 PRO HA H 4.445 0.03 1 497 . 56 PRO CB C 32.793 0.3 1 498 . 56 PRO HB3 H 1.904 0.03 2 499 . 56 PRO HB2 H 2.279 0.03 2 500 . 56 PRO CG C 27.532 0.3 1 501 . 56 PRO HG3 H 2.014 0.03 2 502 . 56 PRO HG2 H 2.268 0.03 2 503 . 56 PRO CD C 51.656 0.3 1 504 . 56 PRO HD3 H 4.000 0.03 2 505 . 56 PRO C C 175.133 0.3 1 506 . 57 ILE N N 120.694 0.3 1 507 . 57 ILE H H 8.348 0.03 1 508 . 57 ILE CA C 60.786 0.3 1 509 . 57 ILE HA H 4.348 0.03 1 510 . 57 ILE CB C 38.825 0.3 1 511 . 57 ILE HB H 1.961 0.03 1 512 . 57 ILE CG1 C 27.206 0.3 2 513 . 57 ILE HG13 H 1.756 0.03 1 514 . 57 ILE HG12 H 1.204 0.03 1 515 . 57 ILE CD1 C 14.709 0.3 1 516 . 57 ILE HD1 H 0.630 0.03 1 517 . 57 ILE CG2 C 19.090 0.3 1 518 . 57 ILE HG2 H 0.720 0.03 1 519 . 57 ILE C C 175.828 0.3 1 520 . 58 CYS N N 126.777 0.3 1 521 . 58 CYS H H 9.367 0.03 1 522 . 58 CYS CA C 55.910 0.3 1 523 . 58 CYS HA H 4.657 0.03 1 524 . 58 CYS CB C 39.801 0.3 1 525 . 58 CYS HB3 H 3.434 0.03 2 526 . 58 CYS HB2 H 2.390 0.03 2 527 . 58 CYS C C 176.322 0.3 1 528 . 59 GLU N N 116.307 0.3 1 529 . 59 GLU H H 7.749 0.03 1 530 . 59 GLU CA C 56.421 0.3 1 531 . 59 GLU HA H 4.794 0.03 1 532 . 59 GLU CB C 33.845 0.3 1 533 . 59 GLU HB3 H 1.980 0.03 2 534 . 59 GLU HB2 H 1.961 0.03 2 535 . 59 GLU CG C 36.690 0.3 1 536 . 59 GLU HG3 H 2.120 0.03 2 537 . 59 GLU HG2 H 1.961 0.03 2 538 . 59 GLU C C 173.686 0.3 1 539 . 60 ILE N N 123.099 0.3 1 540 . 60 ILE H H 8.623 0.03 1 541 . 60 ILE CA C 60.925 0.3 1 542 . 60 ILE HA H 4.970 0.03 1 543 . 60 ILE CB C 41.169 0.3 1 544 . 60 ILE HB H 1.950 0.03 1 545 . 60 ILE CG1 C 31.920 0.3 2 546 . 60 ILE HG13 H 1.720 0.03 1 547 . 60 ILE HG12 H 2.429 0.03 1 548 . 60 ILE CD1 C 17.660 0.3 1 549 . 60 ILE HD1 H 0.868 0.03 1 550 . 60 ILE CG2 C 14.351 0.3 1 551 . 60 ILE HG2 H 0.811 0.03 1 552 . 60 ILE C C 174.502 0.3 1 553 . 61 SER N N 122.391 0.3 1 554 . 61 SER H H 9.164 0.03 1 555 . 61 SER CA C 56.451 0.3 1 556 . 61 SER HA H 5.431 0.03 1 557 . 61 SER CB C 66.033 0.3 1 558 . 61 SER HB3 H 3.800 0.03 2 559 . 61 SER HB2 H 3.879 0.03 2 560 . 61 SER C C 173.590 0.3 1 561 . 62 PHE N N 117.445 0.3 1 562 . 62 PHE H H 8.508 0.03 1 563 . 62 PHE CA C 56.377 0.3 1 564 . 62 PHE HA H 6.055 0.03 1 565 . 62 PHE CB C 43.111 0.3 1 566 . 62 PHE HB3 H 2.870 0.03 2 567 . 62 PHE HB2 H 2.820 0.03 2 568 . 62 PHE HD1 H 6.530 0.03 3 569 . 62 PHE HE1 H 7.344 0.03 3 570 . 62 PHE HZ H 6.987 0.03 1 571 . 62 PHE C C 174.426 0.3 1 572 . 63 THR N N 112.913 0.3 1 573 . 63 THR H H 9.033 0.03 1 574 . 63 THR CA C 62.054 0.3 1 575 . 63 THR HA H 4.715 0.03 1 576 . 63 THR CB C 71.712 0.3 1 577 . 63 THR HB H 4.155 0.03 1 578 . 63 THR CG2 C 22.320 0.3 1 579 . 63 THR HG2 H 1.220 0.03 1 580 . 63 THR C C 172.214 0.3 1 581 . 64 PHE N N 128.050 0.3 1 582 . 64 PHE H H 9.260 0.03 1 583 . 64 PHE CA C 56.153 0.3 1 584 . 64 PHE HA H 5.590 0.03 1 585 . 64 PHE CB C 43.879 0.3 1 586 . 64 PHE HB3 H 2.973 0.03 2 587 . 64 PHE HB2 H 2.620 0.03 2 588 . 64 PHE HD1 H 6.431 0.03 3 589 . 64 PHE HE1 H 6.528 0.03 3 590 . 64 PHE HZ H 6.650 0.03 1 591 . 64 PHE C C 173.424 0.3 1 592 . 65 HIS N N 127.767 0.3 1 593 . 65 HIS H H 9.273 0.03 1 594 . 65 HIS CA C 54.542 0.3 1 595 . 65 HIS HA H 5.620 0.03 1 596 . 65 HIS CB C 33.880 0.3 1 597 . 65 HIS HB3 H 2.913 0.03 2 598 . 65 HIS HB2 H 2.800 0.03 2 599 . 65 HIS HD2 H 6.954 0.03 4 600 . 65 HIS CE1 C 138.134 0.3 1 601 . 65 HIS HE1 H 7.978 0.03 4 602 . 65 HIS C C 174.157 0.3 1 603 . 66 SER N N 114.611 0.3 1 604 . 66 SER H H 8.756 0.03 1 605 . 66 SER CA C 58.897 0.3 1 606 . 66 SER HA H 4.632 0.03 1 607 . 66 SER CB C 66.198 0.3 1 608 . 66 SER HB3 H 3.419 0.03 2 609 . 66 SER HB2 H 3.303 0.03 2 610 . 66 SER C C 174.520 0.3 1 611 . 67 ALA N N 130.172 0.3 1 612 . 67 ALA H H 9.007 0.03 1 613 . 67 ALA CA C 53.061 0.3 1 614 . 67 ALA HA H 4.160 0.03 1 615 . 67 ALA CB C 18.200 0.3 1 616 . 67 ALA HB H 1.435 0.03 1 617 . 67 ALA C C 177.824 0.3 1 618 . 68 GLY N N 104.284 0.3 1 619 . 68 GLY H H 9.116 0.03 1 620 . 68 GLY CA C 45.524 0.3 1 621 . 68 GLY HA3 H 4.121 0.03 2 622 . 68 GLY HA2 H 3.581 0.03 2 623 . 68 GLY C C 174.589 0.3 1 624 . 69 ARG N N 122.109 0.3 1 625 . 69 ARG H H 8.430 0.03 1 626 . 69 ARG CA C 54.746 0.3 1 627 . 69 ARG HA H 4.606 0.03 1 628 . 69 ARG CB C 32.450 0.3 1 629 . 69 ARG HB3 H 1.642 0.03 2 630 . 69 ARG HB2 H 1.863 0.03 2 631 . 69 ARG CG C 26.759 0.3 1 632 . 69 ARG HG3 H 1.779 0.03 2 633 . 69 ARG CD C 43.733 0.3 1 634 . 69 ARG HD2 H 3.080 0.03 2 635 . 69 ARG NE N 84.762 0.3 1 636 . 69 ARG HE H 7.050 0.03 1 637 . 69 ARG C C 174.975 0.3 1 638 . 70 GLU N N 124.655 0.3 1 639 . 70 GLU H H 8.764 0.03 1 640 . 70 GLU CA C 57.638 0.3 1 641 . 70 GLU HA H 3.852 0.03 1 642 . 70 GLU CB C 30.701 0.3 1 643 . 70 GLU HB3 H 1.879 0.03 2 644 . 70 GLU HB2 H 1.975 0.03 2 645 . 70 GLU CG C 36.758 0.3 1 646 . 70 GLU HG3 H 2.203 0.03 2 647 . 70 GLU HG2 H 2.104 0.03 2 648 . 70 GLU C C 176.260 0.3 1 649 . 71 ILE N N 122.109 0.3 1 650 . 71 ILE H H 8.800 0.03 1 651 . 71 ILE CA C 61.996 0.3 1 652 . 71 ILE HA H 4.677 0.03 1 653 . 71 ILE CB C 39.808 0.3 1 654 . 71 ILE HB H 2.075 0.03 1 655 . 71 ILE CG1 C 26.050 0.3 2 656 . 71 ILE HG13 H 1.778 0.03 1 657 . 71 ILE HG12 H 2.159 0.03 1 658 . 71 ILE CD1 C 17.983 0.3 1 659 . 71 ILE HD1 H 0.826 0.03 1 660 . 71 ILE CG2 C 13.887 0.3 1 661 . 71 ILE HG2 H 0.645 0.03 1 662 . 71 ILE C C 174.968 0.3 1 663 . 72 GLY N N 107.679 0.3 1 664 . 72 GLY H H 8.058 0.03 1 665 . 72 GLY CA C 45.783 0.3 1 666 . 72 GLY HA3 H 4.727 0.03 2 667 . 72 GLY HA2 H 3.770 0.03 2 668 . 72 GLY C C 170.660 0.3 1 669 . 73 LYS N N 119.138 0.3 1 670 . 73 LYS H H 8.403 0.03 1 671 . 73 LYS CA C 56.178 0.3 1 672 . 73 LYS HA H 4.545 0.03 1 673 . 73 LYS CB C 34.835 0.3 1 674 . 73 LYS HB3 H 1.830 0.03 2 675 . 73 LYS HB2 H 1.890 0.03 2 676 . 73 LYS CG C 23.312 0.3 1 677 . 73 LYS HG3 H 1.593 0.03 2 678 . 73 LYS HG2 H 1.796 0.03 2 679 . 73 LYS CD C 29.514 0.3 1 680 . 73 LYS HD3 H 1.228 0.03 2 681 . 73 LYS HD2 H 1.266 0.03 2 682 . 73 LYS CE C 42.049 0.3 1 683 . 73 LYS HE3 H 2.871 0.03 2 684 . 73 LYS C C 174.445 0.3 1 685 . 74 GLY N N 107.821 0.3 1 686 . 74 GLY H H 7.012 0.03 1 687 . 74 GLY CA C 45.784 0.3 1 688 . 74 GLY HA3 H 3.939 0.03 2 689 . 74 GLY HA2 H 3.607 0.03 2 690 . 74 GLY C C 170.592 0.3 1 691 . 75 LYS N N 117.865 0.3 1 692 . 75 LYS H H 8.099 0.03 1 693 . 75 LYS CA C 55.396 0.3 1 694 . 75 LYS HA H 5.240 0.03 1 695 . 75 LYS CB C 36.356 0.3 1 696 . 75 LYS HB3 H 1.597 0.03 2 697 . 75 LYS HB2 H 1.646 0.03 2 698 . 75 LYS CG C 24.946 0.3 1 699 . 75 LYS HG3 H 1.248 0.03 2 700 . 75 LYS CD C 29.300 0.3 1 701 . 75 LYS CE C 42.000 0.3 1 702 . 75 LYS HE3 H 2.847 0.03 2 703 . 75 LYS C C 175.573 0.3 1 704 . 76 ILE N N 124.938 0.3 1 705 . 76 ILE H H 9.173 0.03 1 706 . 76 ILE CA C 57.843 0.3 1 707 . 76 ILE HA H 4.696 0.03 1 708 . 76 ILE CB C 40.393 0.3 1 709 . 76 ILE HB H 1.960 0.03 1 710 . 76 ILE CG1 C 27.380 0.3 2 711 . 76 ILE HG13 H 1.567 0.03 1 712 . 76 ILE HG12 H 1.364 0.03 1 713 . 76 ILE CD1 C 13.580 0.3 1 714 . 76 ILE HD1 H 1.000 0.03 1 715 . 76 ILE CG2 C 14.990 0.3 1 716 . 77 PRO CA C 62.438 0.3 1 717 . 77 PRO HA H 4.657 0.03 1 718 . 77 PRO CB C 32.636 0.3 1 719 . 77 PRO HB3 H 2.000 0.03 2 720 . 77 PRO HB2 H 2.131 0.03 2 721 . 77 PRO HG3 H 2.296 0.03 2 722 . 77 PRO HD3 H 3.588 0.03 2 723 . 77 PRO HD2 H 3.833 0.03 2 724 . 78 ASP N N 116.309 0.3 1 725 . 78 ASP H H 8.172 0.03 1 726 . 78 ASP CA C 54.430 0.3 1 727 . 78 ASP HA H 4.651 0.03 1 728 . 78 ASP CB C 41.569 0.3 1 729 . 78 ASP HB3 H 2.790 0.03 2 730 . 78 ASP HB2 H 2.538 0.03 2 731 . 79 PRO CA C 64.473 0.3 1 732 . 79 PRO HA H 4.417 0.03 1 733 . 79 PRO CB C 31.999 0.3 1 734 . 79 PRO HB3 H 1.940 0.03 2 735 . 79 PRO HB2 H 1.738 0.03 2 736 . 79 PRO CG C 27.453 0.3 1 737 . 79 PRO CD C 49.530 0.3 1 738 . 79 PRO HD3 H 3.592 0.03 2 739 . 79 PRO HD2 H 3.640 0.03 2 740 . 79 PRO C C 176.528 0.3 1 741 . 80 GLY N N 107.113 0.3 1 742 . 80 GLY H H 7.923 0.03 1 743 . 80 GLY CA C 44.960 0.3 1 744 . 80 GLY HA3 H 4.364 0.03 2 745 . 80 GLY HA2 H 3.819 0.03 2 746 . 80 GLY C C 171.971 0.3 1 747 . 81 SER N N 114.469 0.3 1 748 . 81 SER H H 8.200 0.03 1 749 . 81 SER CA C 57.263 0.3 1 750 . 81 SER HA H 5.153 0.03 1 751 . 81 SER CB C 66.616 0.3 1 752 . 81 SER HB3 H 3.478 0.03 2 753 . 81 SER HB2 H 3.590 0.03 2 754 . 81 SER C C 173.653 0.3 1 755 . 82 LEU N N 120.977 0.3 1 756 . 82 LEU H H 9.350 0.03 1 757 . 82 LEU CA C 53.280 0.3 1 758 . 82 LEU HA H 4.688 0.03 1 759 . 82 LEU CB C 41.751 0.3 1 760 . 82 LEU HB3 H 1.621 0.03 2 761 . 82 LEU HB2 H 1.725 0.03 2 762 . 82 LEU CG C 25.902 0.3 1 763 . 82 LEU HG H 1.096 0.03 1 764 . 82 LEU CD1 C 24.820 0.3 1 765 . 82 LEU HD1 H 0.777 0.03 2 766 . 82 LEU CD2 C 23.440 0.3 1 767 . 82 LEU HD2 H 0.622 0.03 2 768 . 82 LEU C C 176.832 0.3 1 769 . 83 LYS N N 124.655 0.3 1 770 . 83 LYS H H 7.893 0.03 1 771 . 83 LYS CA C 57.008 0.3 1 772 . 83 LYS HA H 3.925 0.03 1 773 . 83 LYS CB C 33.929 0.3 1 774 . 83 LYS HB3 H 1.503 0.03 2 775 . 83 LYS HB2 H 1.654 0.03 2 776 . 83 LYS CG C 25.203 0.3 1 777 . 83 LYS HG3 H 1.778 0.03 2 778 . 83 LYS HG2 H 1.510 0.03 2 779 . 83 LYS CD C 29.277 0.3 1 780 . 83 LYS HD3 H 1.722 0.03 2 781 . 83 LYS HD2 H 1.670 0.03 2 782 . 83 LYS CE C 42.181 0.3 1 783 . 83 LYS HE3 H 3.068 0.03 2 784 . 83 LYS C C 177.680 0.3 1 785 . 84 ALA N N 126.352 0.3 1 786 . 84 ALA H H 8.536 0.03 1 787 . 84 ALA CA C 53.304 0.3 1 788 . 84 ALA HA H 3.588 0.03 1 789 . 84 ALA CB C 19.489 0.3 1 790 . 84 ALA HB H 1.026 0.03 1 791 . 84 ALA C C 176.478 0.3 1 792 . 85 LYS N N 122.050 0.3 1 793 . 85 LYS H H 7.999 0.03 1 794 . 85 LYS CA C 56.584 0.3 1 795 . 85 LYS HA H 4.058 0.03 1 796 . 85 LYS CB C 31.869 0.3 1 797 . 85 LYS HB3 H 2.024 0.03 2 798 . 85 LYS HB2 H 1.457 0.03 2 799 . 85 LYS CG C 25.445 0.3 1 800 . 85 LYS HG2 H 1.275 0.03 2 801 . 85 LYS CD C 28.857 0.3 1 802 . 85 LYS HD3 H 1.569 0.03 2 803 . 85 LYS CE C 42.110 0.3 1 804 . 85 LYS HE3 H 2.854 0.03 2 805 . 85 LYS HE2 H 2.735 0.03 2 806 . 85 LYS C C 174.636 0.3 1 807 . 86 ASP N N 115.318 0.3 1 808 . 86 ASP H H 7.328 0.03 1 809 . 86 ASP CA C 52.430 0.3 1 810 . 86 ASP HA H 4.855 0.03 1 811 . 86 ASP CB C 44.078 0.3 1 812 . 86 ASP HB3 H 2.702 0.03 2 813 . 86 ASP HB2 H 2.162 0.03 2 814 . 86 ASP C C 175.636 0.3 1 815 . 87 MET N N 122.957 0.3 1 816 . 87 MET H H 9.774 0.03 1 817 . 87 MET CA C 54.599 0.3 1 818 . 87 MET HA H 5.176 0.03 1 819 . 87 MET CB C 34.536 0.3 1 820 . 87 MET HB3 H 1.930 0.03 1 821 . 87 MET HB2 H 1.930 0.03 1 822 . 87 MET CG C 31.980 0.3 1 823 . 87 MET HG3 H 2.456 0.03 2 824 . 87 MET HG2 H 2.368 0.03 2 825 . 87 MET HE H 0.864 0.03 1 826 . 87 MET C C 175.801 0.3 1 827 . 88 THR N N 121.826 0.3 1 828 . 88 THR H H 9.179 0.03 1 829 . 88 THR CA C 63.372 0.3 1 830 . 88 THR HA H 4.350 0.03 1 831 . 88 THR CB C 71.354 0.3 1 832 . 88 THR HB H 3.814 0.03 1 833 . 88 THR CG2 C 21.018 0.3 1 834 . 88 THR HG2 H 1.257 0.03 1 835 . 88 THR C C 172.174 0.3 1 836 . 89 ALA N N 131.021 0.3 1 837 . 89 ALA H H 8.660 0.03 1 838 . 89 ALA CA C 50.806 0.3 1 839 . 89 ALA HA H 5.250 0.03 1 840 . 89 ALA CB C 19.890 0.3 1 841 . 89 ALA HB H 1.328 0.03 1 842 . 89 ALA C C 176.635 0.3 1 843 . 90 LEU N N 124.089 0.3 1 844 . 90 LEU H H 9.141 0.03 1 845 . 90 LEU CA C 53.575 0.3 1 846 . 90 LEU HA H 4.667 0.03 1 847 . 90 LEU CB C 45.198 0.3 1 848 . 90 LEU HB3 H 1.440 0.03 2 849 . 90 LEU HB2 H 1.262 0.03 2 850 . 90 LEU CG C 26.400 0.3 1 851 . 90 LEU HG H 1.434 0.03 1 852 . 90 LEU CD1 C 23.947 0.3 1 853 . 90 LEU HD1 H 0.703 0.03 2 854 . 90 LEU CD2 C 23.347 0.3 1 855 . 90 LEU HD2 H 0.625 0.03 2 856 . 90 LEU C C 174.678 0.3 1 857 . 91 ASP N N 123.382 0.3 1 858 . 91 ASP H H 8.424 0.03 1 859 . 91 ASP CA C 53.350 0.3 1 860 . 91 ASP HA H 5.162 0.03 1 861 . 91 ASP CB C 42.465 0.3 1 862 . 91 ASP HB3 H 2.510 0.03 2 863 . 91 ASP HB2 H 2.640 0.03 2 864 . 91 ASP C C 175.448 0.3 1 865 . 92 ILE N N 123.806 0.3 1 866 . 92 ILE H H 9.132 0.03 1 867 . 92 ILE CA C 57.802 0.3 1 868 . 92 ILE HA H 4.365 0.03 1 869 . 92 ILE CB C 39.724 0.3 1 870 . 92 ILE HB H 1.730 0.03 1 871 . 92 ILE CG1 C 27.040 0.3 2 872 . 92 ILE HG13 H 1.448 0.03 1 873 . 92 ILE HG12 H 1.260 0.03 1 874 . 92 ILE CD1 C 13.950 0.3 1 875 . 92 ILE HD1 H 0.610 0.03 1 876 . 92 ILE CG2 C 16.600 0.3 1 877 . 92 ILE HG2 H 0.140 0.03 1 878 . 93 PRO CA C 63.177 0.3 1 879 . 93 PRO HA H 4.375 0.03 1 880 . 93 PRO CB C 32.355 0.3 1 881 . 93 PRO HB3 H 2.134 0.03 2 882 . 93 PRO HB2 H 1.876 0.03 2 883 . 93 PRO CG C 28.290 0.3 1 884 . 93 PRO CD C 51.172 0.3 1 885 . 93 PRO HD3 H 3.741 0.03 2 886 . 93 PRO HD2 H 3.563 0.03 2 887 . 93 PRO C C 175.533 0.3 1 888 . 94 VAL N N 125.928 0.3 1 889 . 94 VAL H H 8.793 0.03 1 890 . 94 VAL CA C 63.166 0.3 1 891 . 94 VAL HA H 4.786 0.03 1 892 . 94 VAL CB C 32.420 0.3 1 893 . 94 VAL HB H 2.000 0.03 1 894 . 94 VAL CG2 C 21.300 0.3 1 895 . 94 VAL HG2 H 0.880 0.03 2 896 . 94 VAL CG1 C 21.300 0.3 1 897 . 94 VAL HG1 H 0.854 0.03 2 898 . 94 VAL C C 176.227 0.3 1 899 . 95 VAL N N 127.458 0.3 1 900 . 95 VAL H H 8.467 0.03 1 901 . 95 VAL CA C 61.870 0.3 1 902 . 95 VAL HA H 3.717 0.03 1 903 . 95 VAL CB C 33.000 0.3 1 904 . 95 VAL HB H 1.420 0.03 1 905 . 95 VAL CG2 C 18.500 0.3 1 906 . 95 VAL HG2 H -0.054 0.03 2 907 . 95 VAL CG1 C 20.050 0.3 1 908 . 95 VAL HG1 H 0.000 0.03 2 909 . 95 VAL C C 176.227 0.3 1 910 . 96 VAL N N 127.767 0.3 1 911 . 96 VAL H H 9.431 0.03 1 912 . 96 VAL CA C 58.234 0.3 1 913 . 96 VAL HA H 4.984 0.03 1 914 . 96 VAL CB C 35.755 0.3 1 915 . 96 VAL HB H 2.140 0.03 1 916 . 96 VAL CG2 C 21.380 0.3 1 917 . 96 VAL HG2 H 1.100 0.03 2 918 . 96 VAL CG1 C 20.270 0.3 1 919 . 96 VAL HG1 H 0.950 0.03 2 920 . 97 PRO HA H 4.792 0.03 1 921 . 97 PRO HB3 H 1.886 0.03 2 922 . 97 PRO HB2 H 2.003 0.03 2 923 . 97 PRO HG2 H 2.283 0.03 2 924 . 97 PRO HD3 H 4.239 0.03 2 925 . 98 TYR N N 126.968 0.3 1 926 . 98 TYR H H 8.140 0.03 1 927 . 98 TYR CA C 62.658 0.3 1 928 . 98 TYR HA H 3.704 0.03 1 929 . 98 TYR CB C 39.111 0.3 1 930 . 98 TYR HB3 H 2.971 0.03 2 931 . 98 TYR HB2 H 2.726 0.03 2 932 . 98 TYR HD1 H 6.897 0.03 3 933 . 98 TYR C C 177.549 0.3 1 934 . 99 SER N N 111.499 0.3 1 935 . 99 SER H H 9.154 0.03 1 936 . 99 SER CA C 61.800 0.3 1 937 . 99 SER HA H 4.091 0.03 1 938 . 99 SER CB C 62.448 0.3 1 939 . 99 SER HB3 H 4.019 0.03 2 940 . 99 SER HB2 H 3.967 0.03 2 941 . 99 SER C C 176.720 0.3 1 942 . 100 ILE N N 120.411 0.3 1 943 . 100 ILE H H 6.798 0.03 1 944 . 100 ILE CA C 63.076 0.3 1 945 . 100 ILE HA H 3.950 0.03 1 946 . 100 ILE CB C 37.276 0.3 1 947 . 100 ILE HB H 2.144 0.03 1 948 . 100 ILE CG1 C 28.297 0.3 2 949 . 100 ILE HG13 H 1.715 0.03 1 950 . 100 ILE HG12 H 1.455 0.03 1 951 . 100 ILE CD1 C 11.300 0.3 1 952 . 100 ILE HD1 H 0.950 0.03 1 953 . 100 ILE CG2 C 16.636 0.3 1 954 . 100 ILE HG2 H 0.960 0.03 1 955 . 100 ILE C C 178.364 0.3 1 956 . 101 LEU N N 121.543 0.3 1 957 . 101 LEU H H 7.424 0.03 1 958 . 101 LEU CA C 57.745 0.3 1 959 . 101 LEU HA H 4.082 0.03 1 960 . 101 LEU CB C 42.883 0.3 1 961 . 101 LEU HB3 H 1.539 0.03 2 962 . 101 LEU HB2 H 1.820 0.03 2 963 . 101 LEU CG C 26.359 0.3 1 964 . 101 LEU HG H 1.056 0.03 1 965 . 101 LEU HD1 H 0.986 0.03 2 966 . 101 LEU HD2 H 0.856 0.03 2 967 . 101 LEU C C 177.090 0.3 1 968 . 102 PHE N N 118.572 0.3 1 969 . 102 PHE H H 8.622 0.03 1 970 . 102 PHE CA C 60.762 0.3 1 971 . 102 PHE HA H 4.083 0.03 1 972 . 102 PHE CB C 39.135 0.3 1 973 . 102 PHE HB3 H 2.631 0.03 2 974 . 102 PHE HB2 H 2.200 0.03 2 975 . 102 PHE HD1 H 6.607 0.03 3 976 . 102 PHE HE1 H 6.795 0.03 3 977 . 102 PHE C C 177.097 0.3 1 978 . 103 ASN N N 116.167 0.3 1 979 . 103 ASN H H 7.927 0.03 1 980 . 103 ASN CA C 56.096 0.3 1 981 . 103 ASN HA H 4.075 0.03 1 982 . 103 ASN CB C 38.467 0.3 1 983 . 103 ASN HB3 H 2.851 0.03 2 984 . 103 ASN HB2 H 2.743 0.03 2 985 . 103 ASN ND2 N 111.646 0.3 1 986 . 103 ASN HD21 H 7.543 0.03 2 987 . 103 ASN HD22 H 6.938 0.03 2 988 . 103 ASN C C 177.030 0.3 1 989 . 104 LEU N N 121.260 0.3 1 990 . 104 LEU H H 7.806 0.03 1 991 . 104 LEU CA C 58.088 0.3 1 992 . 104 LEU HA H 4.093 0.03 1 993 . 104 LEU CB C 43.000 0.3 1 994 . 104 LEU HB3 H 1.620 0.03 2 995 . 104 LEU HB2 H 1.833 0.03 2 996 . 104 LEU CG C 29.282 0.3 1 997 . 104 LEU HG H 1.495 0.03 1 998 . 104 LEU CD1 C 23.528 0.3 1 999 . 104 LEU HD1 H 0.937 0.03 2 1000 . 104 LEU CD2 C 26.492 0.3 1 1001 . 104 LEU HD2 H 0.849 0.03 2 1002 . 104 LEU C C 178.146 0.3 1 1003 . 105 ALA N N 120.184 0.3 1 1004 . 105 ALA H H 8.110 0.03 1 1005 . 105 ALA CA C 55.390 0.3 1 1006 . 105 ALA HA H 3.835 0.03 1 1007 . 105 ALA CB C 18.580 0.3 1 1008 . 105 ALA HB H 1.384 0.03 1 1009 . 105 ALA C C 179.812 0.3 1 1010 . 106 ARG N N 116.733 0.3 1 1011 . 106 ARG H H 7.565 0.03 1 1012 . 106 ARG CA C 58.338 0.3 1 1013 . 106 ARG HA H 3.875 0.03 1 1014 . 106 ARG CB C 29.834 0.3 1 1015 . 106 ARG HB3 H 1.500 0.03 2 1016 . 106 ARG HB2 H 1.650 0.03 2 1017 . 106 ARG HG3 H 1.380 0.03 2 1018 . 106 ARG HG2 H 1.284 0.03 2 1019 . 106 ARG CD C 42.061 0.3 1 1020 . 106 ARG HD2 H 2.883 0.03 2 1021 . 106 ARG NE N 84.762 0.3 1 1022 . 106 ARG HE H 6.905 0.03 1 1023 . 106 ARG HH21 H 7.149 0.03 1 1024 . 106 ARG HH22 H 6.905 0.03 1 1025 . 107 ASP N N 120.650 0.3 1 1026 . 107 ASP H H 8.161 0.03 1 1027 . 107 ASP CA C 57.163 0.3 1 1028 . 107 ASP HA H 4.357 0.03 1 1029 . 107 ASP CB C 41.102 0.3 1 1030 . 107 ASP HB3 H 2.826 0.03 2 1031 . 107 ASP HB2 H 2.630 0.03 2 1032 . 107 ASP C C 178.527 0.3 1 1033 . 108 VAL N N 115.743 0.3 1 1034 . 108 VAL H H 8.250 0.03 1 1035 . 108 VAL CA C 63.305 0.3 1 1036 . 108 VAL HA H 4.067 0.03 1 1037 . 108 VAL CB C 32.261 0.3 1 1038 . 108 VAL HB H 2.180 0.03 1 1039 . 108 VAL CG2 C 21.624 0.3 1 1040 . 108 VAL HG2 H 1.003 0.03 2 1041 . 108 VAL HG1 H 0.842 0.03 2 1042 . 108 VAL C C 176.893 0.3 1 1043 . 109 GLY N N 110.650 0.3 1 1044 . 109 GLY H H 7.906 0.03 1 1045 . 109 GLY CA C 46.395 0.3 1 1046 . 109 GLY HA3 H 4.020 0.03 2 1047 . 109 GLY HA2 H 3.827 0.03 2 1048 . 109 GLY C C 174.921 0.3 1 1049 . 110 VAL N N 113.055 0.3 1 1050 . 110 VAL H H 7.679 0.03 1 1051 . 110 VAL CA C 60.277 0.3 1 1052 . 110 VAL HA H 4.537 0.03 1 1053 . 110 VAL CB C 34.377 0.3 1 1054 . 110 VAL HB H 2.365 0.03 1 1055 . 110 VAL CG2 C 22.236 0.3 1 1056 . 110 VAL HG2 H 0.954 0.03 2 1057 . 110 VAL CG1 C 18.960 0.3 1 1058 . 110 VAL HG1 H 0.857 0.03 2 1059 . 110 VAL C C 174.835 0.3 1 1060 . 111 ASP N N 118.122 0.3 1 1061 . 111 ASP H H 8.182 0.03 1 1062 . 111 ASP CA C 54.487 0.3 1 1063 . 111 ASP HA H 4.620 0.03 1 1064 . 111 ASP CB C 42.420 0.3 1 1065 . 111 ASP HB3 H 2.155 0.03 2 1066 . 111 ASP HB2 H 2.056 0.03 2 1067 . 111 ASP C C 175.958 0.3 1 1068 . 112 TRP N N 118.996 0.3 1 1069 . 112 TRP H H 8.250 0.03 1 1070 . 112 TRP CA C 58.148 0.3 1 1071 . 112 TRP HA H 4.857 0.03 1 1072 . 112 TRP CB C 31.178 0.3 1 1073 . 112 TRP HB3 H 3.415 0.03 2 1074 . 112 TRP HB2 H 3.280 0.03 2 1075 . 112 TRP CD1 C 128.368 0.3 4 1076 . 112 TRP HD1 H 7.267 0.03 1 1077 . 112 TRP NE1 N 128.934 0.3 1 1078 . 112 TRP HE1 H 10.098 0.03 4 1079 . 112 TRP HZ2 H 7.481 0.03 4 1080 . 112 TRP HH2 H 7.611 0.03 1 1081 . 112 TRP HZ3 H 7.120 0.03 4 1082 . 112 TRP HE3 H 7.736 0.03 4 1083 . 112 TRP C C 175.244 0.3 1 1084 . 113 ASP N N 118.713 0.3 1 1085 . 113 ASP H H 8.067 0.03 1 1086 . 113 ASP CA C 53.087 0.3 1 1087 . 113 ASP HA H 5.380 0.03 1 1088 . 113 ASP CB C 44.050 0.3 1 1089 . 113 ASP HB3 H 2.500 0.03 2 1090 . 113 ASP HB2 H 2.560 0.03 2 1091 . 113 ASP C C 173.425 0.3 1 1092 . 114 ILE N N 118.006 0.3 1 1093 . 114 ILE H H 8.820 0.03 1 1094 . 114 ILE CA C 60.757 0.3 1 1095 . 114 ILE HA H 4.629 0.03 1 1096 . 114 ILE CB C 42.692 0.3 1 1097 . 114 ILE HB H 1.621 0.03 1 1098 . 114 ILE CG1 C 25.170 0.3 2 1099 . 114 ILE HG13 H 1.541 0.03 1 1100 . 114 ILE CD1 C 15.400 0.3 1 1101 . 114 ILE HD1 H 0.770 0.03 1 1102 . 114 ILE CG2 C 11.930 0.3 1 1103 . 114 ILE HG2 H 0.200 0.03 1 1104 . 114 ILE C C 172.544 0.3 1 1105 . 115 ASP N N 121.967 0.3 1 1106 . 115 ASP H H 7.988 0.03 1 1107 . 115 ASP CA C 54.166 0.3 1 1108 . 115 ASP HA H 5.147 0.03 1 1109 . 115 ASP CB C 43.067 0.3 1 1110 . 115 ASP HB3 H 2.646 0.03 2 1111 . 115 ASP C C 174.454 0.3 1 1112 . 116 TYR N N 116.167 0.3 1 1113 . 116 TYR H H 8.439 0.03 1 1114 . 116 TYR CA C 56.330 0.3 1 1115 . 116 TYR HA H 5.628 0.03 1 1116 . 116 TYR CB C 43.072 0.3 1 1117 . 116 TYR HB3 H 2.513 0.03 2 1118 . 116 TYR HB2 H 2.333 0.03 2 1119 . 116 TYR HD1 H 6.521 0.03 3 1120 . 116 TYR HE1 H 6.666 0.03 3 1121 . 116 TYR C C 174.553 0.3 1 1122 . 117 GLU N N 120.598 0.3 1 1123 . 117 GLU H H 8.722 0.03 1 1124 . 117 GLU CA C 56.264 0.3 1 1125 . 117 GLU HA H 4.650 0.03 1 1126 . 117 GLU CB C 33.665 0.3 1 1127 . 117 GLU HB3 H 1.775 0.03 2 1128 . 117 GLU HB2 H 1.974 0.03 2 1129 . 117 GLU CG C 36.250 0.3 1 1130 . 117 GLU HG3 H 2.128 0.03 2 1131 . 117 GLU HG2 H 1.988 0.03 2 1132 . 117 GLU C C 174.326 0.3 1 1133 . 118 LEU N N 129.748 0.3 1 1134 . 118 LEU H H 9.493 0.03 1 1135 . 118 LEU CA C 53.653 0.3 1 1136 . 118 LEU HA H 5.530 0.03 1 1137 . 118 LEU CB C 46.429 0.3 1 1138 . 118 LEU HB3 H 2.080 0.03 2 1139 . 118 LEU HB2 H 1.610 0.03 2 1140 . 118 LEU CG C 27.649 0.3 1 1141 . 118 LEU CD1 C 23.450 0.3 1 1142 . 118 LEU HD1 H 0.688 0.03 2 1143 . 118 LEU CD2 C 23.245 0.3 1 1144 . 118 LEU HD2 H 0.904 0.03 2 1145 . 118 LEU C C 173.877 0.3 1 1146 . 119 GLN N N 125.262 0.3 1 1147 . 119 GLN H H 8.735 0.03 1 1148 . 119 GLN CA C 55.147 0.3 1 1149 . 119 GLN HA H 4.994 0.03 1 1150 . 119 GLN CB C 30.357 0.3 1 1151 . 119 GLN HB3 H 2.301 0.03 2 1152 . 119 GLN HB2 H 2.108 0.03 2 1153 . 119 GLN CG C 33.042 0.3 1 1154 . 119 GLN HG3 H 1.750 0.03 2 1155 . 119 GLN NE2 N 111.021 0.3 1 1156 . 119 GLN HE21 H 6.634 0.03 2 1157 . 119 GLN HE22 H 7.561 0.03 2 1158 . 119 GLN C C 174.862 0.3 1 1159 . 120 ILE N N 125.787 0.3 1 1160 . 120 ILE H H 9.422 0.03 1 1161 . 120 ILE CA C 59.353 0.3 1 1162 . 120 ILE HA H 5.101 0.03 1 1163 . 120 ILE CB C 41.902 0.3 1 1164 . 120 ILE HB H 1.787 0.03 1 1165 . 120 ILE CG1 C 26.500 0.3 2 1166 . 120 ILE CD1 C 17.378 0.3 1 1167 . 120 ILE HD1 H 0.827 0.03 1 1168 . 120 ILE CG2 C 15.003 0.3 1 1169 . 120 ILE HG2 H 0.564 0.03 1 1170 . 120 ILE C C 175.149 0.3 1 1171 . 121 GLY N N 116.026 0.3 1 1172 . 121 GLY H H 9.329 0.03 1 1173 . 121 GLY CA C 45.148 0.3 1 1174 . 121 GLY HA3 H 4.690 0.03 2 1175 . 121 GLY HA2 H 3.290 0.03 2 1176 . 121 GLY C C 172.227 0.3 1 1177 . 122 LEU N N 130.030 0.3 1 1178 . 122 LEU H H 8.814 0.03 1 1179 . 122 LEU CA C 54.197 0.3 1 1180 . 122 LEU HA H 4.940 0.03 1 1181 . 122 LEU CB C 43.756 0.3 1 1182 . 122 LEU HB3 H 2.080 0.03 2 1183 . 122 LEU HB2 H 1.260 0.03 2 1184 . 122 LEU HG H 1.553 0.03 1 1185 . 122 LEU CD1 C 27.090 0.3 1 1186 . 122 LEU HD1 H 0.802 0.03 2 1187 . 122 LEU CD2 C 26.652 0.3 1 1188 . 122 LEU C C 174.577 0.3 1 1189 . 123 THR N N 125.928 0.3 1 1190 . 123 THR H H 9.079 0.03 1 1191 . 123 THR CA C 62.930 0.3 1 1192 . 123 THR HA H 5.224 0.03 1 1193 . 123 THR CB C 68.990 0.3 1 1194 . 123 THR HB H 3.940 0.03 1 1195 . 123 THR CG2 C 22.297 0.3 1 1196 . 123 THR HG2 H 1.089 0.03 1 1197 . 123 THR C C 173.982 0.3 1 1198 . 124 ILE N N 123.099 0.3 1 1199 . 124 ILE H H 9.365 0.03 1 1200 . 124 ILE CA C 59.491 0.3 1 1201 . 124 ILE HA H 5.140 0.03 1 1202 . 124 ILE CB C 41.050 0.3 1 1203 . 124 ILE HB H 1.990 0.03 1 1204 . 124 ILE CG1 C 25.407 0.3 2 1205 . 124 ILE HG13 H 1.505 0.03 1 1206 . 124 ILE CD1 C 17.941 0.3 1 1207 . 124 ILE HD1 H 0.869 0.03 1 1208 . 124 ILE CG2 C 14.788 0.3 1 1209 . 124 ILE HG2 H 0.813 0.03 1 1210 . 124 ILE C C 172.696 0.3 1 1211 . 125 ASP N N 119.987 0.3 1 1212 . 125 ASP H H 7.512 0.03 1 1213 . 125 ASP CA C 52.853 0.3 1 1214 . 125 ASP HA H 4.822 0.03 1 1215 . 125 ASP CB C 42.415 0.3 1 1216 . 125 ASP HB3 H 2.703 0.03 2 1217 . 125 ASP HB2 H 2.450 0.03 2 1218 . 125 ASP C C 175.322 0.3 1 1219 . 126 LEU N N 124.675 0.3 1 1220 . 126 LEU H H 8.220 0.03 1 1221 . 126 LEU CA C 52.913 0.3 1 1222 . 126 LEU HA H 4.500 0.03 1 1223 . 126 LEU CB C 43.258 0.3 1 1224 . 126 LEU HB3 H 1.790 0.03 2 1225 . 126 LEU HB2 H 1.370 0.03 2 1226 . 126 LEU HG H 1.636 0.03 1 1227 . 126 LEU HD1 H 0.723 0.03 2 1228 . 126 LEU HD2 H 0.673 0.03 2 1229 . 127 PRO CA C 63.718 0.3 1 1230 . 127 PRO HA H 4.221 0.03 1 1231 . 127 PRO CB C 31.202 0.3 1 1232 . 127 PRO HB3 H 2.318 0.03 2 1233 . 127 PRO HB2 H 1.879 0.03 2 1234 . 127 PRO CG C 27.884 0.3 1 1235 . 127 PRO CD C 50.192 0.3 1 1236 . 127 PRO HD3 H 3.569 0.03 2 1237 . 127 PRO HD2 H 3.616 0.03 2 1238 . 127 PRO C C 178.254 0.3 1 1239 . 128 VAL N N 119.535 0.3 1 1240 . 128 VAL H H 8.930 0.03 1 1241 . 128 VAL CA C 69.420 0.3 1 1242 . 128 VAL HA H 3.189 0.03 1 1243 . 128 VAL CB C 30.339 0.3 1 1244 . 128 VAL HB H 2.740 0.03 1 1245 . 128 VAL CG2 C 21.643 0.3 1 1246 . 128 VAL HG2 H 0.896 0.03 2 1247 . 128 VAL C C 178.254 0.3 1 1248 . 129 VAL N N 118.996 0.3 1 1249 . 129 VAL H H 8.940 0.03 1 1250 . 129 VAL CA C 63.523 0.3 1 1251 . 129 VAL HA H 3.950 0.03 1 1252 . 129 VAL CB C 33.596 0.3 1 1253 . 129 VAL HB H 2.030 0.03 1 1254 . 129 VAL CG2 C 21.370 0.3 1 1255 . 129 VAL HG2 H 0.910 0.03 2 1256 . 129 VAL HG1 H 0.930 0.03 2 1257 . 129 VAL C C 177.012 0.3 1 1258 . 130 GLY N N 111.074 0.3 1 1259 . 130 GLY H H 8.136 0.03 1 1260 . 130 GLY CA C 44.952 0.3 1 1261 . 130 GLY HA3 H 4.173 0.03 2 1262 . 130 GLY HA2 H 3.947 0.03 2 1263 . 130 GLY C C 174.269 0.3 1 1264 . 131 GLU N N 123.382 0.3 1 1265 . 131 GLU H H 8.328 0.03 1 1266 . 131 GLU CA C 58.217 0.3 1 1267 . 131 GLU HA H 4.634 0.03 1 1268 . 131 GLU CB C 30.175 0.3 1 1269 . 131 GLU HB3 H 1.810 0.03 2 1270 . 131 GLU HB2 H 1.900 0.03 2 1271 . 131 GLU CG C 36.846 0.3 1 1272 . 131 GLU HG3 H 2.217 0.03 2 1273 . 131 GLU HG2 H 2.110 0.03 2 1274 . 131 GLU C C 177.293 0.3 1 1275 . 132 PHE N N 127.060 0.3 1 1276 . 132 PHE H H 9.264 0.03 1 1277 . 132 PHE CA C 58.192 0.3 1 1278 . 132 PHE HA H 4.647 0.03 1 1279 . 132 PHE CB C 44.011 0.3 1 1280 . 132 PHE HB3 H 3.080 0.03 2 1281 . 132 PHE HB2 H 2.775 0.03 2 1282 . 132 PHE HD1 H 7.135 0.03 3 1283 . 132 PHE HE1 H 7.069 0.03 3 1284 . 132 PHE C C 173.479 0.3 1 1285 . 133 THR N N 123.948 0.3 1 1286 . 133 THR H H 8.080 0.03 1 1287 . 133 THR CA C 62.224 0.3 1 1288 . 133 THR HA H 4.881 0.03 1 1289 . 133 THR CB C 69.787 0.3 1 1290 . 133 THR HB H 3.600 0.03 1 1291 . 133 THR CG2 C 21.360 0.3 1 1292 . 133 THR HG2 H 0.830 0.03 1 1293 . 133 THR C C 172.732 0.3 1 1294 . 134 ILE N N 128.474 0.3 1 1295 . 134 ILE H H 9.158 0.03 1 1296 . 134 ILE CA C 57.670 0.3 1 1297 . 134 ILE HA H 4.527 0.03 1 1298 . 134 ILE CB C 39.997 0.3 1 1299 . 134 ILE HB H 1.737 0.03 1 1300 . 134 ILE CG1 C 26.900 0.3 2 1301 . 134 ILE HG13 H 1.422 0.03 1 1302 . 134 ILE HG12 H 1.179 0.03 1 1303 . 134 ILE CD1 C 13.900 0.3 1 1304 . 134 ILE HD1 H 0.974 0.03 1 1305 . 134 ILE CG2 C 16.600 0.3 1 1306 . 134 ILE HG2 H 0.838 0.03 1 1307 . 135 PRO CA C 61.710 0.3 1 1308 . 135 PRO HA H 5.238 0.03 1 1309 . 135 PRO CB C 31.873 0.3 1 1310 . 135 PRO HB3 H 2.083 0.03 2 1311 . 135 PRO HB2 H 1.976 0.03 2 1312 . 135 PRO CG C 26.630 0.3 1 1313 . 135 PRO HG3 H 2.052 0.03 2 1314 . 135 PRO HG2 H 2.315 0.03 2 1315 . 135 PRO CD C 50.719 0.3 1 1316 . 135 PRO HD3 H 4.100 0.03 2 1317 . 135 PRO C C 177.218 0.3 1 1318 . 136 ILE N N 125.040 0.3 1 1319 . 136 ILE H H 9.055 0.03 1 1320 . 136 ILE CA C 61.001 0.3 1 1321 . 136 ILE HA H 4.400 0.03 1 1322 . 136 ILE CB C 41.678 0.3 1 1323 . 136 ILE HB H 1.491 0.03 1 1324 . 136 ILE CG1 C 27.135 0.3 2 1325 . 136 ILE HG13 H 1.599 0.03 1 1326 . 136 ILE CD1 C 17.617 0.3 1 1327 . 136 ILE HD1 H 0.773 0.03 1 1328 . 136 ILE CG2 C 15.008 0.3 1 1329 . 136 ILE HG2 H 0.629 0.03 1 1330 . 136 ILE C C 174.257 0.3 1 1331 . 137 SER N N 121.118 0.3 1 1332 . 137 SER H H 8.826 0.03 1 1333 . 137 SER CA C 56.717 0.3 1 1334 . 137 SER HA H 5.590 0.03 1 1335 . 137 SER CB C 66.498 0.3 1 1336 . 137 SER HB3 H 3.881 0.03 2 1337 . 137 SER C C 173.820 0.3 1 1338 . 138 SER N N 115.585 0.3 1 1339 . 138 SER H H 8.780 0.03 1 1340 . 138 SER CA C 57.844 0.3 1 1341 . 138 SER HA H 4.720 0.03 1 1342 . 138 SER CB C 65.484 0.3 1 1343 . 138 SER HB3 H 3.623 0.03 2 1344 . 138 SER HB2 H 3.885 0.03 2 1345 . 138 SER C C 171.942 0.3 1 1346 . 139 LYS N N 125.079 0.3 1 1347 . 139 LYS H H 8.264 0.03 1 1348 . 139 LYS CA C 54.994 0.3 1 1349 . 139 LYS HA H 4.489 0.03 1 1350 . 139 LYS CB C 36.061 0.3 1 1351 . 139 LYS HB3 H 1.600 0.03 2 1352 . 139 LYS HB2 H 1.719 0.03 2 1353 . 139 LYS CG C 24.517 0.3 1 1354 . 139 LYS HG3 H 1.378 0.03 2 1355 . 139 LYS HG2 H 1.256 0.03 2 1356 . 139 LYS CD C 29.464 0.3 1 1357 . 139 LYS HD3 H 1.552 0.03 2 1358 . 139 LYS CE C 41.897 0.3 1 1359 . 139 LYS HE3 H 2.843 0.03 2 1360 . 139 LYS C C 174.810 0.3 1 1361 . 140 GLY N N 109.094 0.3 1 1362 . 140 GLY H H 6.700 0.03 1 1363 . 140 GLY CA C 46.496 0.3 1 1364 . 140 GLY HA3 H 3.920 0.03 1 1365 . 140 GLY HA2 H 3.920 0.03 1 1366 . 140 GLY C C 171.982 0.3 1 1367 . 141 GLU N N 124.089 0.3 1 1368 . 141 GLU H H 8.823 0.03 1 1369 . 141 GLU CA C 55.589 0.3 1 1370 . 141 GLU HA H 5.400 0.03 1 1371 . 141 GLU CB C 33.543 0.3 1 1372 . 141 GLU HB3 H 2.202 0.03 2 1373 . 141 GLU HB2 H 1.917 0.03 2 1374 . 141 GLU CG C 35.980 0.3 1 1375 . 141 GLU HG3 H 1.630 0.03 2 1376 . 141 GLU HG2 H 2.180 0.03 2 1377 . 141 GLU C C 172.696 0.3 1 1378 . 142 ILE N N 116.733 0.3 1 1379 . 142 ILE H H 9.284 0.03 1 1380 . 142 ILE CA C 59.436 0.3 1 1381 . 142 ILE HA H 4.680 0.03 1 1382 . 142 ILE CB C 41.512 0.3 1 1383 . 142 ILE HB H 1.728 0.03 1 1384 . 142 ILE CG1 C 33.202 0.3 2 1385 . 142 ILE HG13 H 1.544 0.03 1 1386 . 142 ILE HG12 H 0.961 0.03 1 1387 . 142 ILE CD1 C 19.400 0.3 1 1388 . 142 ILE HD1 H 0.440 0.03 1 1389 . 142 ILE CG2 C 11.700 0.3 1 1390 . 142 ILE HG2 H 0.214 0.03 1 1391 . 142 ILE C C 175.133 0.3 1 1392 . 143 LYS N N 120.411 0.3 1 1393 . 143 LYS H H 8.339 0.03 1 1394 . 143 LYS CA C 55.255 0.3 1 1395 . 143 LYS HA H 4.579 0.03 1 1396 . 143 LYS CB C 33.172 0.3 1 1397 . 143 LYS HB3 H 1.780 0.03 2 1398 . 143 LYS HB2 H 1.609 0.03 2 1399 . 143 LYS CG C 24.534 0.3 1 1400 . 143 LYS CD C 28.429 0.3 1 1401 . 143 LYS CE C 42.272 0.3 1 1402 . 143 LYS HE3 H 2.811 0.03 2 1403 . 143 LYS C C 176.978 0.3 1 1404 . 144 LEU N N 123.240 0.3 1 1405 . 144 LEU H H 8.077 0.03 1 1406 . 144 LEU CA C 52.370 0.3 1 1407 . 144 LEU HA H 4.565 0.03 1 1408 . 144 LEU CB C 42.272 0.3 1 1409 . 144 LEU HB3 H 1.400 0.03 2 1410 . 144 LEU HB2 H 1.303 0.03 2 1411 . 144 LEU HD1 H 0.721 0.03 2 1412 . 144 LEU HD2 H 0.906 0.03 2 1413 . 145 PRO CA C 61.649 0.3 1 1414 . 145 PRO HA H 4.248 0.03 1 1415 . 145 PRO CB C 32.225 0.3 1 1416 . 145 PRO HB3 H 2.030 0.03 2 1417 . 145 PRO HB2 H 1.988 0.03 2 1418 . 145 PRO CG C 27.211 0.3 1 1419 . 145 PRO HG3 H 1.643 0.03 2 1420 . 145 PRO CD C 49.100 0.3 1 1421 . 145 PRO C C 174.577 0.3 1 1422 . 146 THR N N 115.177 0.3 1 1423 . 146 THR H H 8.403 0.03 1 1424 . 146 THR CA C 61.865 0.3 1 1425 . 146 THR HA H 4.102 0.03 1 1426 . 146 THR CB C 68.575 0.3 1 1427 . 146 THR HB H 4.120 0.03 1 1428 . 146 THR CG2 C 22.211 0.3 1 1429 . 146 THR HG2 H 1.180 0.03 1 1430 . 146 THR C C 174.957 0.3 1 1431 . 147 PHE N N 124.655 0.3 1 1432 . 147 PHE H H 7.881 0.03 1 1433 . 147 PHE CA C 59.403 0.3 1 1434 . 147 PHE HA H 4.631 0.03 1 1435 . 147 PHE CB C 39.098 0.3 1 1436 . 147 PHE HB3 H 2.930 0.03 2 1437 . 147 PHE HB2 H 3.265 0.03 2 1438 . 147 PHE CD1 C 133.446 0.3 3 1439 . 147 PHE HD1 H 7.345 0.03 3 1440 . 147 PHE HE1 H 6.901 0.03 3 1441 . 148 LYS N N 118.713 0.3 1 1442 . 148 LYS H H 8.216 0.03 1 1443 . 148 LYS CA C 57.181 0.3 1 1444 . 148 LYS HA H 4.065 0.03 1 1445 . 148 LYS CB C 33.040 0.3 1 1446 . 148 LYS HB3 H 1.633 0.03 2 1447 . 148 LYS HB2 H 1.320 0.03 2 1448 . 148 LYS CG C 24.351 0.3 1 1449 . 148 LYS HG3 H 1.160 0.03 2 1450 . 148 LYS HG2 H 1.655 0.03 2 1451 . 148 LYS CD C 29.190 0.3 1 1452 . 148 LYS CE C 42.104 0.3 1 1453 . 148 LYS HE3 H 2.925 0.03 2 1454 . 148 LYS C C 176.197 0.3 1 1455 . 149 ASP N N 119.138 0.3 1 1456 . 149 ASP H H 7.964 0.03 1 1457 . 149 ASP CA C 55.176 0.3 1 1458 . 149 ASP HA H 4.420 0.03 1 1459 . 149 ASP CB C 40.729 0.3 1 1460 . 149 ASP HB3 H 2.348 0.03 2 1461 . 149 ASP HB2 H 2.375 0.03 2 1462 . 149 ASP C C 175.708 0.3 1 1463 . 150 PHE N N 119.138 0.3 1 1464 . 150 PHE H H 7.857 0.03 1 1465 . 150 PHE CA C 57.636 0.3 1 1466 . 150 PHE HA H 4.456 0.03 1 1467 . 150 PHE CB C 39.813 0.3 1 1468 . 150 PHE HB3 H 2.903 0.03 2 1469 . 150 PHE HB2 H 2.860 0.03 2 1470 . 150 PHE HD1 H 7.070 0.03 3 1471 . 150 PHE HE1 H 7.184 0.03 3 1472 . 150 PHE C C 174.450 0.3 1 1473 . 151 PHE N N 125.504 0.3 1 1474 . 151 PHE H H 7.480 0.03 1 1475 . 151 PHE CA C 59.146 0.3 1 1476 . 151 PHE HA H 4.370 0.03 1 1477 . 151 PHE CB C 40.203 0.3 1 1478 . 151 PHE HB3 H 2.913 0.03 2 1479 . 151 PHE HB2 H 3.118 0.03 2 1480 . 151 PHE HD1 H 7.111 0.03 3 1481 . 151 PHE HE1 H 7.231 0.03 3 stop_ save_