data_6585 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment of the At1g24000.1 protein from Arabidopsis Thaliana ; _BMRB_accession_number 6585 _BMRB_flat_file_name bmr6585.str _Entry_type original _Submission_date 2005-04-11 _Accession_date 2005-04-11 _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 song jikui . . 2 Zhao Qin . . 3 Jeon 'Won Bae' . . 4 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 551 "13C chemical shifts" 441 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-01 update BMRB 'added time domain data' 2005-10-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C Resonance Assignments of the Putative Bet v 1 Family Protein At1g24000.1 from Arabidopsis Thaliana' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jikui . . 2 Zhao Qin . . 3 Lee Min S. . 4 Markley John L. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 335 _Page_last 335 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name At1g24000.1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label At1g24000.1 $At1g24000 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_At1g24000 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At1g24000.1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; STLKGALSVKFDVKCPADKF FSAFVEDTNRPFEKNGKTEI EAVDLVKKTMTIQMSGSEIQ KYFKTLKGSIAVTPIGVGDG SHVVWTFHFEKVHKDIDDPH SIIDESVKYFKKLDEAILNF KE ; loop_ _Residue_seq_code _Residue_label 1 SER 2 THR 3 LEU 4 LYS 5 GLY 6 ALA 7 LEU 8 SER 9 VAL 10 LYS 11 PHE 12 ASP 13 VAL 14 LYS 15 CYS 16 PRO 17 ALA 18 ASP 19 LYS 20 PHE 21 PHE 22 SER 23 ALA 24 PHE 25 VAL 26 GLU 27 ASP 28 THR 29 ASN 30 ARG 31 PRO 32 PHE 33 GLU 34 LYS 35 ASN 36 GLY 37 LYS 38 THR 39 GLU 40 ILE 41 GLU 42 ALA 43 VAL 44 ASP 45 LEU 46 VAL 47 LYS 48 LYS 49 THR 50 MET 51 THR 52 ILE 53 GLN 54 MET 55 SER 56 GLY 57 SER 58 GLU 59 ILE 60 GLN 61 LYS 62 TYR 63 PHE 64 LYS 65 THR 66 LEU 67 LYS 68 GLY 69 SER 70 ILE 71 ALA 72 VAL 73 THR 74 PRO 75 ILE 76 GLY 77 VAL 78 GLY 79 ASP 80 GLY 81 SER 82 HIS 83 VAL 84 VAL 85 TRP 86 THR 87 PHE 88 HIS 89 PHE 90 GLU 91 LYS 92 VAL 93 HIS 94 LYS 95 ASP 96 ILE 97 ASP 98 ASP 99 PRO 100 HIS 101 SER 102 ILE 103 ILE 104 ASP 105 GLU 106 SER 107 VAL 108 LYS 109 TYR 110 PHE 111 LYS 112 LYS 113 LEU 114 ASP 115 GLU 116 ALA 117 ILE 118 LEU 119 ASN 120 PHE 121 LYS 122 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-08 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 1VJH "Crystal Structure Of Gene Product Of At1g24000 From Arabidopsis Thaliana" 100.00 122 98.36 98.36 3.62e-79 PDB 2Q3Q "Ensemble Refinement Of The Protein Crystal Structure Of At1g24000 From Arabidopsis Thaliana" 100.00 122 98.36 98.36 3.62e-79 GB AEE30464 "uncharacterized protein AT1G24000 [Arabidopsis thaliana]" 99.18 122 100.00 100.00 6.96e-81 REF NP_173811 "major latex family protein [Arabidopsis thaliana]" 99.18 122 100.00 100.00 6.96e-81 SP P0C0B0 "RecName: Full=Uncharacterized protein At1g24000 [Arabidopsis thaliana]" 99.18 122 100.00 100.00 6.96e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $At1g24000 'Arabidopsis Thaliana' 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 $At1g24000 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $At1g24000 0.2 mM '[U-15N; U-13C]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HCCHTOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label $sample_1 save_ save_CCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label $sample_1 save_ save_HCCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label $sample_1 save_ save_3D_N15NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D N15NOESY' _Sample_label $sample_1 save_ save_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label $sample_1 save_ save_HBACONH_10 _Saveframe_category NMR_applied_experiment _Experiment_name HBACONH _Sample_label $sample_1 save_ save_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D N15NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_10 _Saveframe_category NMR_applied_experiment _Experiment_name HBACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 pH temperature 298 0.1 K pressure 1 0.1 atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCACB stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name At1g24000.1 _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 2 THR HA H 4.578 0.05 1 2 2 2 THR HB H 4.394 0.05 1 3 2 2 THR HG2 H 1.324 0.05 2 4 2 2 THR C C 174.289 0.10 1 5 2 2 THR CA C 61.612 0.10 1 6 2 2 THR CB C 69.757 0.28 1 7 2 2 THR CG2 C 21.489 0.11 1 8 3 3 LEU H H 8.531 0.05 1 9 3 3 LEU HA H 4.455 0.05 1 10 3 3 LEU HB2 H 1.879 0.05 2 11 3 3 LEU HD1 H 0.746 0.05 2 12 3 3 LEU HD2 H 0.963 0.05 2 13 3 3 LEU C C 176.783 0.10 1 14 3 3 LEU CA C 55.861 0.11 1 15 3 3 LEU CB C 42.323 0.16 1 16 3 3 LEU CG C 27.468 0.10 1 17 3 3 LEU CD1 C 23.205 0.11 1 18 3 3 LEU CD2 C 25.411 0.10 1 19 3 3 LEU N N 124.259 0.23 1 20 4 4 LYS H H 7.846 0.05 1 21 4 4 LYS HA H 5.179 0.05 1 22 4 4 LYS HB2 H 1.789 0.05 2 23 4 4 LYS HG2 H 1.281 0.05 2 24 4 4 LYS HD2 H 1.623 0.05 2 25 4 4 LYS HE2 H 2.913 0.05 1 26 4 4 LYS C C 176.178 0.10 1 27 4 4 LYS CA C 55.209 0.19 1 28 4 4 LYS CB C 35.040 0.18 1 29 4 4 LYS CG C 25.979 0.10 1 30 4 4 LYS CD C 29.938 0.18 1 31 4 4 LYS CE C 42.028 0.10 1 32 4 4 LYS N N 120.701 0.19 1 33 5 5 GLY H H 7.705 0.05 1 34 5 5 GLY HA2 H 3.544 0.05 2 35 5 5 GLY HA3 H 3.946 0.05 2 36 5 5 GLY C C 169.934 0.10 1 37 5 5 GLY CA C 45.132 0.21 1 38 5 5 GLY N N 111.000 0.16 1 39 6 6 ALA H H 7.982 0.05 1 40 6 6 ALA HA H 5.130 0.05 1 41 6 6 ALA HB H 0.919 0.05 1 42 6 6 ALA C C 176.485 0.10 1 43 6 6 ALA CA C 50.894 0.13 1 44 6 6 ALA CB C 22.015 0.25 1 45 6 6 ALA N N 122.496 0.18 1 46 7 7 LEU H H 8.735 0.05 1 47 7 7 LEU HA H 4.812 0.05 1 48 7 7 LEU HB2 H 1.716 0.05 2 49 7 7 LEU HG H 1.536 0.05 1 50 7 7 LEU HD1 H 0.700 0.05 2 51 7 7 LEU HD2 H 0.797 0.05 2 52 7 7 LEU C C 174.224 0.10 1 53 7 7 LEU CA C 54.306 0.19 1 54 7 7 LEU CB C 47.016 0.14 1 55 7 7 LEU CD1 C 25.309 0.20 1 56 7 7 LEU CD2 C 24.444 0.26 1 57 7 7 LEU N N 123.648 0.15 1 58 8 8 SER H H 8.848 0.05 1 59 8 8 SER HA H 5.670 0.05 1 60 8 8 SER HB3 H 3.563 0.05 2 61 8 8 SER C C 173.345 0.10 1 62 8 8 SER CA C 56.716 0.11 1 63 8 8 SER CB C 66.550 0.23 1 64 8 8 SER N N 120.566 0.24 1 65 9 9 VAL H H 9.380 0.05 1 66 9 9 VAL HA H 4.734 0.05 1 67 9 9 VAL HB H 2.261 0.05 1 68 9 9 VAL HG1 H 1.270 0.05 2 69 9 9 VAL C C 171.764 0.10 1 70 9 9 VAL CA C 60.359 0.27 1 71 9 9 VAL CB C 36.062 0.11 1 72 9 9 VAL CG1 C 21.214 0.27 1 73 9 9 VAL N N 124.452 0.15 1 74 10 10 LYS H H 8.270 0.05 1 75 10 10 LYS HA H 5.509 0.05 1 76 10 10 LYS HB2 H 1.766 0.05 2 77 10 10 LYS HG2 H 1.394 0.05 2 78 10 10 LYS HD2 H 1.569 0.05 1 79 10 10 LYS HE2 H 2.856 0.05 1 80 10 10 LYS C C 175.540 0.10 1 81 10 10 LYS CA C 54.282 0.12 1 82 10 10 LYS CB C 35.199 0.19 1 83 10 10 LYS CG C 25.118 0.22 1 84 10 10 LYS CD C 29.901 0.19 1 85 10 10 LYS CE C 42.581 . 1 86 10 10 LYS N N 125.159 0.20 1 87 11 11 PHE H H 8.558 0.05 1 88 11 11 PHE HA H 4.862 0.05 1 89 11 11 PHE HB2 H 3.036 0.05 2 90 11 11 PHE HB3 H 3.333 0.05 2 91 11 11 PHE HD1 H 6.903 0.05 4 92 11 11 PHE HD2 H 6.903 0.05 4 93 11 11 PHE C C 171.021 0.10 1 94 11 11 PHE CA C 56.245 0.16 1 95 11 11 PHE CB C 39.769 0.11 1 96 11 11 PHE N N 121.798 0.25 1 97 12 12 ASP H H 8.524 0.05 1 98 12 12 ASP HA H 5.797 0.05 1 99 12 12 ASP HB3 H 2.551 0.05 2 100 12 12 ASP C C 176.292 0.10 1 101 12 12 ASP CA C 52.554 0.14 1 102 12 12 ASP CB C 43.067 0.15 1 103 12 12 ASP N N 120.365 0.19 1 104 13 13 VAL H H 8.875 0.05 1 105 13 13 VAL HA H 4.594 0.05 1 106 13 13 VAL HB H 2.111 0.05 1 107 13 13 VAL HG1 H -0.096 0.05 2 108 13 13 VAL HG2 H 0.558 0.05 2 109 13 13 VAL C C 176.354 0.10 1 110 13 13 VAL CA C 59.036 0.19 1 111 13 13 VAL CB C 33.633 0.18 1 112 13 13 VAL CG1 C 17.350 0.19 1 113 13 13 VAL CG2 C 22.054 0.10 1 114 13 13 VAL N N 114.225 0.16 1 115 14 14 LYS H H 10.791 0.05 1 116 14 14 LYS HA H 4.158 0.05 1 117 14 14 LYS HB2 H 1.818 0.05 2 118 14 14 LYS HB3 H 1.999 0.05 2 119 14 14 LYS HG2 H 1.449 0.05 2 120 14 14 LYS HD3 H 1.651 0.05 2 121 14 14 LYS HE2 H 3.003 0.05 2 122 14 14 LYS C C 178.383 0.10 1 123 14 14 LYS CA C 58.199 0.16 1 124 14 14 LYS CB C 33.579 0.14 1 125 14 14 LYS CG C 26.214 0.10 1 126 14 14 LYS CD C 29.139 0.10 1 127 14 14 LYS N N 127.704 0.15 1 128 15 15 CYS H H 9.429 0.05 1 129 15 15 CYS HA H 4.466 0.05 1 130 15 15 CYS HB2 H 2.792 0.05 2 131 15 15 CYS HB3 H 3.105 0.05 2 132 15 15 CYS CA C 59.318 0.10 1 133 15 15 CYS CB C 28.324 0.34 1 134 15 15 CYS N N 123.034 0.19 1 135 16 16 PRO HA H 4.608 0.05 1 136 16 16 PRO HB2 H 2.543 0.05 2 137 16 16 PRO HG3 H 2.122 0.05 2 138 16 16 PRO HD2 H 3.705 0.05 2 139 16 16 PRO HD3 H 3.984 0.05 2 140 16 16 PRO C C 178.138 0.10 1 141 16 16 PRO CA C 62.479 0.22 1 142 16 16 PRO CB C 33.149 0.10 1 143 16 16 PRO CG C 28.071 0.14 1 144 16 16 PRO CD C 51.387 0.21 1 145 17 17 ALA H H 8.661 0.05 1 146 17 17 ALA HA H 3.897 0.05 1 147 17 17 ALA HB H 1.193 0.05 1 148 17 17 ALA C C 179.233 0.10 1 149 17 17 ALA CA C 56.237 0.23 1 150 17 17 ALA CB C 19.132 0.25 1 151 17 17 ALA N N 127.563 0.17 1 152 18 18 ASP H H 8.763 0.05 1 153 18 18 ASP HA H 4.268 0.05 1 154 18 18 ASP HB3 H 2.782 0.05 2 155 18 18 ASP C C 178.743 0.10 1 156 18 18 ASP CA C 57.022 0.16 1 157 18 18 ASP CB C 39.368 0.17 1 158 18 18 ASP N N 116.193 0.19 1 159 19 19 LYS H H 7.557 0.05 1 160 19 19 LYS HA H 4.141 0.05 1 161 19 19 LYS HB2 H 1.771 0.05 2 162 19 19 LYS HG2 H 1.452 0.05 2 163 19 19 LYS HD2 H 1.667 0.05 2 164 19 19 LYS HE2 H 2.988 0.05 2 165 19 19 LYS C C 178.443 0.10 1 166 19 19 LYS CA C 58.479 0.14 1 167 19 19 LYS CB C 33.462 0.16 1 168 19 19 LYS CG C 25.339 0.10 1 169 19 19 LYS CD C 29.268 0.10 1 170 19 19 LYS N N 122.644 0.16 1 171 20 20 PHE H H 8.670 0.05 1 172 20 20 PHE HA H 4.025 0.05 1 173 20 20 PHE HB2 H 2.773 0.05 2 174 20 20 PHE HB3 H 3.056 0.05 2 175 20 20 PHE HD1 H 7.100 0.05 1 176 20 20 PHE HD2 H 7.100 0.05 1 177 20 20 PHE HE1 H 7.578 0.05 1 178 20 20 PHE HE2 H 7.578 0.05 1 179 20 20 PHE C C 176.044 0.10 1 180 20 20 PHE CA C 62.591 0.26 1 181 20 20 PHE CB C 40.013 0.13 1 182 20 20 PHE N N 121.674 0.17 1 183 21 21 PHE H H 8.741 0.05 1 184 21 21 PHE HA H 4.082 0.05 1 185 21 21 PHE HB3 H 3.233 0.05 2 186 21 21 PHE HD1 H 7.090 0.05 4 187 21 21 PHE HD2 H 7.090 0.05 4 188 21 21 PHE HE1 H 7.249 0.05 4 189 21 21 PHE HE2 H 7.249 0.05 4 190 21 21 PHE C C 176.842 0.10 1 191 21 21 PHE CA C 62.921 0.33 1 192 21 21 PHE CB C 40.073 0.12 1 193 21 21 PHE N N 117.997 0.16 1 194 22 22 SER H H 8.109 0.05 1 195 22 22 SER HA H 3.964 0.05 1 196 22 22 SER HB2 H 3.986 0.05 2 197 22 22 SER C C 175.688 0.10 1 198 22 22 SER CA C 62.614 0.16 1 199 22 22 SER CB C 62.435 0.10 1 200 22 22 SER N N 113.501 0.22 1 201 23 23 ALA H H 7.664 0.05 1 202 23 23 ALA HA H 4.044 0.05 1 203 23 23 ALA HB H 1.441 0.05 1 204 23 23 ALA C C 179.982 0.10 1 205 23 23 ALA CA C 54.754 0.15 1 206 23 23 ALA CB C 19.064 0.23 1 207 23 23 ALA N N 123.726 0.18 1 208 24 24 PHE H H 7.762 0.05 1 209 24 24 PHE HA H 4.388 0.05 1 210 24 24 PHE HB2 H 3.872 0.05 2 211 24 24 PHE HD1 H 7.330 0.05 4 212 24 24 PHE HD2 H 7.330 0.05 4 213 24 24 PHE C C 177.821 0.10 1 214 24 24 PHE CA C 59.517 0.10 1 215 24 24 PHE CB C 45.256 0.10 1 216 24 24 PHE N N 119.899 0.16 1 217 25 25 VAL H H 8.078 0.05 1 218 25 25 VAL HA H 2.799 0.05 1 219 25 25 VAL HB H 1.850 0.05 1 220 25 25 VAL HG1 H 0.702 0.05 2 221 25 25 VAL HG2 H 0.423 0.05 2 222 25 25 VAL C C 177.674 0.10 1 223 25 25 VAL CA C 66.397 0.31 1 224 25 25 VAL CB C 31.808 0.14 1 225 25 25 VAL CG1 C 21.401 0.10 1 226 25 25 VAL CG2 C 22.648 0.10 1 227 25 25 VAL N N 120.404 0.13 1 228 26 26 GLU H H 7.485 0.05 1 229 26 26 GLU HA H 4.032 0.05 1 230 26 26 GLU HB2 H 2.054 0.05 2 231 26 26 GLU HG2 H 2.220 0.05 2 232 26 26 GLU C C 176.626 0.13 1 233 26 26 GLU CA C 56.873 0.13 1 234 26 26 GLU CB C 30.224 0.12 1 235 26 26 GLU CG C 36.588 0.19 1 236 26 26 GLU N N 116.785 0.29 1 237 27 27 ASP H H 8.489 0.05 1 238 27 27 ASP HA H 5.306 0.05 1 239 27 27 ASP N N 118.034 0.17 1 240 29 29 ASN H H 7.277 0.05 1 241 29 29 ASN HB2 H 2.707 0.05 2 242 29 29 ASN HB3 H 2.980 0.05 2 243 29 29 ASN HD21 H 6.910 0.05 2 244 29 29 ASN HD22 H 7.764 0.05 2 245 29 29 ASN C C 176.607 0.10 1 246 29 29 ASN CA C 55.346 0.17 1 247 29 29 ASN CB C 40.813 0.10 1 248 29 29 ASN N N 121.574 0.16 1 249 29 29 ASN ND2 N 115.496 0.13 1 250 30 30 ARG H H 7.955 0.05 1 251 30 30 ARG N N 115.818 0.14 1 252 31 31 PRO HA H 4.829 0.05 1 253 31 31 PRO HB3 H 2.116 0.05 2 254 31 31 PRO HG2 H 1.284 0.05 2 255 31 31 PRO C C 175.619 0.10 1 256 31 31 PRO CA C 63.553 0.30 1 257 31 31 PRO CB C 27.255 0.14 1 258 32 32 PHE H H 8.686 0.05 1 259 32 32 PHE HA H 4.127 0.05 1 260 32 32 PHE HB2 H 3.172 0.05 2 261 32 32 PHE HD1 H 7.279 0.05 4 262 32 32 PHE HD2 H 7.279 0.05 4 263 32 32 PHE C C 178.151 0.10 1 264 32 32 PHE CA C 60.245 0.18 1 265 32 32 PHE CB C 30.236 0.24 1 266 32 32 PHE N N 126.411 0.20 1 267 33 33 GLU H H 8.968 0.05 1 268 33 33 GLU N N 115.825 0.14 1 269 34 34 LYS HA H 4.016 0.05 1 270 34 34 LYS HB3 H 1.807 0.05 2 271 34 34 LYS HG3 H 1.421 0.05 2 272 34 34 LYS C C 176.925 0.10 1 273 34 34 LYS CA C 57.561 0.21 1 274 34 34 LYS CB C 32.008 0.17 1 275 34 34 LYS CG C 24.912 0.10 1 276 34 34 LYS CD C 29.162 0.10 1 277 35 35 ASN H H 8.324 0.05 1 278 35 35 ASN HA H 4.729 0.05 1 279 35 35 ASN HB3 H 2.882 0.05 1 280 35 35 ASN HD21 H 7.624 0.05 2 281 35 35 ASN C C 174.929 0.10 1 282 35 35 ASN CA C 53.932 0.16 1 283 35 35 ASN CB C 39.300 0.23 1 284 35 35 ASN N N 117.387 0.20 1 285 35 35 ASN ND2 N 114.653 0.10 1 286 35 35 ASN HD22 H 7.056 0.05 2 287 36 36 GLY H H 7.745 0.05 1 288 36 36 GLY HA2 H 4.232 0.05 2 289 36 36 GLY HA3 H 4.235 0.05 2 290 36 36 GLY C C 172.178 0.10 1 291 36 36 GLY CA C 45.455 0.14 1 292 36 36 GLY N N 109.184 0.17 1 293 37 37 LYS H H 8.400 0.05 1 294 37 37 LYS HA H 4.627 0.05 1 295 37 37 LYS HB2 H 1.806 0.05 2 296 37 37 LYS HE2 H 2.923 0.05 2 297 37 37 LYS CA C 55.777 0.10 1 298 37 37 LYS CB C 34.554 0.10 1 299 37 37 LYS N N 122.024 0.15 1 300 38 38 THR HA H 4.885 0.05 1 301 38 38 THR HB H 3.540 0.05 1 302 38 38 THR HG2 H 0.518 0.05 1 303 38 38 THR C C 174.093 0.10 1 304 38 38 THR CA C 60.372 0.25 1 305 38 38 THR CB C 71.580 0.10 1 306 38 38 THR CG2 C 21.439 0.36 1 307 39 39 GLU H H 8.481 0.05 1 308 39 39 GLU HA H 4.713 0.05 1 309 39 39 GLU HB2 H 1.930 0.05 2 310 39 39 GLU HG2 H 2.182 0.05 2 311 39 39 GLU C C 175.364 0.10 1 312 39 39 GLU CA C 54.745 0.23 1 313 39 39 GLU CB C 33.929 0.26 1 314 39 39 GLU CG C 36.366 0.10 1 315 39 39 GLU N N 122.385 0.24 1 316 40 40 ILE H H 9.161 0.05 1 317 40 40 ILE HA H 4.159 0.05 1 318 40 40 ILE HB H 1.904 0.05 1 319 40 40 ILE HG12 H 1.429 0.05 2 320 40 40 ILE HG2 H 0.846 0.05 1 321 40 40 ILE HD1 H 0.722 0.05 1 322 40 40 ILE C C 175.826 0.10 1 323 40 40 ILE CA C 62.614 0.10 1 324 40 40 ILE CB C 38.117 0.10 1 325 40 40 ILE CG2 C 17.974 0.10 1 326 40 40 ILE CD1 C 10.620 0.27 1 327 40 40 ILE N N 127.256 0.16 1 328 41 41 GLU H H 8.818 0.05 1 329 41 41 GLU HA H 4.378 0.05 1 330 41 41 GLU HB2 H 2.037 0.05 2 331 41 41 GLU HB3 H 1.865 0.05 2 332 41 41 GLU HG3 H 2.226 0.05 2 333 41 41 GLU C C 175.861 0.10 1 334 41 41 GLU CA C 57.422 0.13 1 335 41 41 GLU CB C 32.022 0.12 1 336 41 41 GLU CG C 36.797 0.19 1 337 41 41 GLU N N 131.744 0.19 1 338 42 42 ALA H H 7.852 0.05 1 339 42 42 ALA HA H 4.641 0.05 1 340 42 42 ALA HB H 1.372 0.05 1 341 42 42 ALA C C 174.671 0.10 1 342 42 42 ALA CA C 51.874 0.13 1 343 42 42 ALA CB C 22.767 0.18 1 344 42 42 ALA N N 121.646 0.16 1 345 43 43 VAL H H 8.535 0.05 1 346 43 43 VAL HA H 4.932 0.05 1 347 43 43 VAL HB H 2.198 0.05 1 348 43 43 VAL HG1 H 1.028 0.05 2 349 43 43 VAL HG2 H 1.209 0.05 2 350 43 43 VAL C C 172.718 0.10 1 351 43 43 VAL CA C 61.376 0.17 1 352 43 43 VAL CB C 34.702 0.12 1 353 43 43 VAL CG1 C 18.913 0.10 1 354 43 43 VAL CG2 C 22.444 0.18 1 355 43 43 VAL N N 121.326 0.17 1 356 44 44 ASP H H 8.827 0.05 1 357 44 44 ASP HA H 4.929 0.05 1 358 44 44 ASP HB2 H 2.262 0.05 2 359 44 44 ASP HB3 H 3.312 0.05 2 360 44 44 ASP C C 172.718 0.12 1 361 44 44 ASP CA C 53.177 0.12 1 362 44 44 ASP CB C 42.724 0.11 1 363 44 44 ASP N N 128.593 0.15 1 364 45 45 LEU H H 9.072 0.05 1 365 45 45 LEU HA H 4.261 0.05 1 366 45 45 LEU HB2 H 1.797 0.05 2 367 45 45 LEU HG H 1.923 0.05 1 368 45 45 LEU HD1 H 1.110 0.05 2 369 45 45 LEU HD2 H 1.078 0.05 2 370 45 45 LEU C C 178.144 0.10 1 371 45 45 LEU CA C 57.315 0.14 1 372 45 45 LEU CB C 42.278 0.17 1 373 45 45 LEU CG C 27.757 0.10 1 374 45 45 LEU CD1 C 23.345 0.30 1 375 45 45 LEU CD2 C 25.345 0.10 1 376 45 45 LEU N N 125.551 0.15 1 377 46 46 VAL H H 8.224 0.05 1 378 46 46 VAL HA H 3.824 0.05 1 379 46 46 VAL HB H 0.950 0.05 1 380 46 46 VAL HG2 H 0.959 0.05 2 381 46 46 VAL C C 178.350 0.10 1 382 46 46 VAL CA C 65.267 0.13 1 383 46 46 VAL CB C 32.232 0.14 1 384 46 46 VAL CG1 C 20.904 0.10 1 385 46 46 VAL N N 121.195 0.22 1 386 47 47 LYS H H 7.998 0.05 1 387 47 47 LYS HA H 4.009 0.05 1 388 47 47 LYS HB2 H 1.443 0.05 2 389 47 47 LYS HB3 H 1.820 0.05 2 390 47 47 LYS HD2 H 1.591 0.05 2 391 47 47 LYS HE2 H 2.944 0.05 2 392 47 47 LYS C C 175.803 0.10 1 393 47 47 LYS CA C 56.670 0.18 1 394 47 47 LYS CB C 32.927 0.17 1 395 47 47 LYS CG C 26.113 0.10 1 396 47 47 LYS CD C 29.031 0.10 1 397 47 47 LYS N N 120.456 0.18 1 398 48 48 LYS H H 7.574 0.05 1 399 48 48 LYS HA H 2.079 0.05 1 400 48 48 LYS HB2 H 2.623 0.05 2 401 48 48 LYS HB3 H 0.867 0.05 2 402 48 48 LYS HG2 H 1.009 0.05 2 403 48 48 LYS HD2 H 1.361 0.05 2 404 48 48 LYS C C 173.852 0.10 1 405 48 48 LYS CA C 55.986 0.16 1 406 48 48 LYS CB C 28.470 0.37 1 407 48 48 LYS CG C 24.261 0.10 1 408 48 48 LYS N N 115.863 0.17 1 409 49 49 THR H H 7.447 0.05 1 410 49 49 THR HA H 5.419 0.05 1 411 49 49 THR HB H 4.341 0.05 1 412 49 49 THR HG2 H 1.077 0.05 1 413 49 49 THR C C 173.762 0.10 1 414 49 49 THR CA C 58.196 0.21 1 415 49 49 THR CB C 72.139 0.30 1 416 49 49 THR CG2 C 21.300 0.10 1 417 49 49 THR N N 107.561 0.17 1 418 50 50 MET H H 7.978 0.05 1 419 50 50 MET HA H 5.298 0.05 1 420 50 50 MET HB2 H 2.223 0.05 2 421 50 50 MET HB3 H 2.763 0.05 2 422 50 50 MET HG2 H 3.008 0.05 2 423 50 50 MET HG3 H 2.510 0.05 2 424 50 50 MET C C 174.873 0.10 1 425 50 50 MET CA C 56.264 0.14 1 426 50 50 MET CB C 38.294 0.19 1 427 50 50 MET CG C 31.764 0.18 1 428 50 50 MET N N 120.882 0.15 1 429 51 51 THR H H 9.290 0.05 1 430 51 51 THR HA H 5.670 0.05 1 431 51 51 THR HB H 3.884 0.05 1 432 51 51 THR HG2 H 1.121 0.05 1 433 51 51 THR C C 173.713 0.10 1 434 51 51 THR CA C 62.201 0.23 1 435 51 51 THR CB C 71.969 0.26 1 436 51 51 THR CG2 C 21.857 0.17 1 437 51 51 THR N N 123.307 0.18 1 438 52 52 ILE H H 9.952 0.05 1 439 52 52 ILE HA H 5.194 0.05 1 440 52 52 ILE HB H 1.899 0.05 1 441 52 52 ILE HG12 H 1.770 0.05 2 442 52 52 ILE HG13 H 1.348 0.05 2 443 52 52 ILE HG2 H 1.044 0.05 1 444 52 52 ILE HD1 H 1.111 0.05 1 445 52 52 ILE C C 174.508 0.10 1 446 52 52 ILE CA C 59.254 0.18 1 447 52 52 ILE CB C 42.172 0.16 1 448 52 52 ILE CG1 C 26.735 0.18 1 449 52 52 ILE CG2 C 18.574 0.21 1 450 52 52 ILE CD1 C 14.440 0.12 1 451 52 52 ILE N N 125.631 0.19 1 452 53 53 GLN H H 9.516 0.05 1 453 53 53 GLN HA H 4.901 0.05 1 454 53 53 GLN HB2 H 2.117 0.05 2 455 53 53 GLN HG3 H 2.423 0.05 2 456 53 53 GLN HE22 H 6.815 0.05 2 457 53 53 GLN HE21 H 7.840 0.05 2 458 53 53 GLN C C 175.519 0.10 1 459 53 53 GLN CA C 55.626 0.24 1 460 53 53 GLN CB C 30.702 0.14 1 461 53 53 GLN CG C 34.237 0.10 1 462 53 53 GLN N N 125.696 0.18 1 463 53 53 GLN NE2 N 112.126 0.10 1 464 54 54 MET H H 8.636 0.05 1 465 54 54 MET HA H 5.119 0.05 1 466 54 54 MET HB2 H 2.221 0.05 2 467 54 54 MET HB3 H 1.939 0.05 2 468 54 54 MET HG2 H 2.470 0.05 2 469 54 54 MET HG3 H 2.626 0.05 2 470 54 54 MET C C 174.512 0.10 1 471 54 54 MET CA C 55.492 0.25 1 472 54 54 MET CB C 35.082 0.20 1 473 54 54 MET CG C 33.072 0.24 1 474 54 54 MET N N 127.153 0.28 1 475 55 55 SER H H 8.814 0.05 1 476 55 55 SER HA H 4.930 0.05 1 477 55 55 SER HB2 H 3.867 0.05 2 478 55 55 SER HB3 H 3.912 0.05 2 479 55 55 SER C C 173.085 0.12 1 480 55 55 SER CA C 57.432 0.21 1 481 55 55 SER CB C 65.730 0.22 1 482 55 55 SER N N 117.928 0.15 1 483 56 56 GLY H H 8.410 0.05 1 484 56 56 GLY HA2 H 4.016 0.05 2 485 56 56 GLY HA3 H 4.844 0.05 2 486 56 56 GLY C C 174.703 0.10 1 487 56 56 GLY CA C 45.019 0.12 1 488 56 56 GLY N N 109.622 0.15 1 489 57 57 SER H H 8.887 0.05 1 490 57 57 SER HA H 3.894 0.05 1 491 57 57 SER HB2 H 3.957 0.05 2 492 57 57 SER C C 176.659 0.10 1 493 57 57 SER CA C 62.151 0.12 1 494 57 57 SER CB C 63.014 0.33 1 495 57 57 SER N N 118.525 0.20 1 496 58 58 GLU H H 8.732 0.05 1 497 58 58 GLU HA H 4.240 0.05 1 498 58 58 GLU HB2 H 1.891 0.05 2 499 58 58 GLU HG3 H 2.280 0.05 2 500 58 58 GLU C C 177.716 0.10 1 501 58 58 GLU CA C 58.219 0.14 1 502 58 58 GLU CB C 29.282 0.14 1 503 58 58 GLU CG C 36.197 0.11 1 504 58 58 GLU N N 121.291 0.17 1 505 59 59 ILE H H 7.575 0.05 1 506 59 59 ILE HA H 4.140 0.05 1 507 59 59 ILE HB H 1.858 0.05 1 508 59 59 ILE HG12 H 1.466 0.05 2 509 59 59 ILE HG13 H 1.181 0.05 2 510 59 59 ILE HG2 H 0.893 0.05 1 511 59 59 ILE HD1 H 0.872 0.05 1 512 59 59 ILE C C 178.713 0.10 1 513 59 59 ILE CA C 63.385 0.20 1 514 59 59 ILE CB C 38.582 0.30 1 515 59 59 ILE CG1 C 28.723 0.10 1 516 59 59 ILE CG2 C 17.942 0.23 1 517 59 59 ILE CD1 C 12.821 0.27 1 518 59 59 ILE N N 119.261 0.19 1 519 60 60 GLN H H 8.247 0.05 1 520 60 60 GLN HA H 4.788 0.05 1 521 60 60 GLN HB2 H 2.162 0.05 2 522 60 60 GLN HG2 H 2.577 0.05 2 523 60 60 GLN HE21 H 7.469 0.05 2 524 60 60 GLN HE22 H 6.819 0.05 2 525 60 60 GLN C C 176.572 0.10 1 526 60 60 GLN CA C 57.528 0.18 1 527 60 60 GLN CB C 29.051 0.25 1 528 60 60 GLN CG C 36.120 0.10 1 529 60 60 GLN N N 119.498 0.20 1 530 60 60 GLN NE2 N 113.748 0.12 1 531 61 61 LYS H H 7.038 0.05 1 532 61 61 LYS HA H 3.848 0.05 1 533 61 61 LYS HB2 H 1.179 0.05 2 534 61 61 LYS HB3 H 1.312 0.05 2 535 61 61 LYS HG2 H 1.185 0.05 2 536 61 61 LYS HG3 H 0.929 0.05 2 537 61 61 LYS HD2 H 1.481 0.05 2 538 61 61 LYS HE2 H 2.794 0.05 2 539 61 61 LYS C C 175.971 0.10 1 540 61 61 LYS CA C 58.285 0.18 1 541 61 61 LYS CB C 32.426 0.18 1 542 61 61 LYS CG C 24.913 0.24 1 543 61 61 LYS CD C 29.859 0.10 1 544 61 61 LYS CE C 41.883 0.10 1 545 61 61 LYS N N 118.019 0.15 1 546 62 62 TYR H H 7.339 0.05 1 547 62 62 TYR HA H 4.412 0.05 1 548 62 62 TYR HB3 H 2.228 0.05 2 549 62 62 TYR HD1 H 7.062 0.05 4 550 62 62 TYR HD2 H 7.062 0.05 4 551 62 62 TYR HE1 H 6.885 0.05 4 552 62 62 TYR HE2 H 6.885 0.05 4 553 62 62 TYR CA C 57.584 0.17 1 554 62 62 TYR CB C 41.169 0.11 1 555 62 62 TYR N N 116.169 0.14 1 556 63 63 PHE H H 8.631 0.05 1 557 63 63 PHE HA H 5.258 0.05 1 558 63 63 PHE HB2 H 3.291 0.05 2 559 63 63 PHE HB3 H 2.498 0.05 2 560 63 63 PHE HD1 H 7.067 0.05 1 561 63 63 PHE HD2 H 7.067 0.05 1 562 63 63 PHE HE1 H 7.225 0.05 1 563 63 63 PHE HE2 H 7.225 0.05 1 564 63 63 PHE HZ H 6.886 0.05 2 565 63 63 PHE C C 175.041 0.10 1 566 63 63 PHE CA C 56.403 0.16 1 567 63 63 PHE CB C 41.085 0.19 1 568 63 63 PHE N N 118.039 0.21 1 569 64 64 LYS H H 8.760 0.05 1 570 64 64 LYS HA H 4.257 0.05 1 571 64 64 LYS HB3 H 1.677 0.05 2 572 64 64 LYS HG2 H 1.428 0.05 2 573 64 64 LYS HD2 H 1.387 0.05 2 574 64 64 LYS HE2 H 2.982 0.05 2 575 64 64 LYS C C 177.743 0.10 1 576 64 64 LYS CA C 58.498 0.19 1 577 64 64 LYS CB C 33.905 0.13 1 578 64 64 LYS CG C 25.690 0.10 1 579 64 64 LYS CD C 29.441 0.10 1 580 64 64 LYS CE C 39.737 0.10 1 581 64 64 LYS N N 125.831 0.17 1 582 65 65 THR H H 7.421 0.05 1 583 65 65 THR HA H 4.590 0.05 1 584 65 65 THR HB H 3.982 0.05 1 585 65 65 THR HG2 H 1.204 0.05 1 586 65 65 THR C C 172.579 0.10 1 587 65 65 THR CA C 60.804 0.20 1 588 65 65 THR CB C 72.266 0.23 1 589 65 65 THR CG2 C 22.574 0.11 1 590 65 65 THR N N 109.145 0.17 1 591 66 66 LEU H H 9.072 0.05 1 592 66 66 LEU HA H 4.845 0.05 1 593 66 66 LEU HB2 H 1.925 0.05 2 594 66 66 LEU HB3 H 0.956 0.05 2 595 66 66 LEU HG H 1.266 0.05 1 596 66 66 LEU HD1 H 0.184 0.05 2 597 66 66 LEU HD2 H 0.434 0.05 2 598 66 66 LEU C C 173.206 0.10 1 599 66 66 LEU CA C 55.528 0.17 1 600 66 66 LEU CB C 44.750 0.15 1 601 66 66 LEU CG C 27.648 0.12 1 602 66 66 LEU CD1 C 23.091 0.10 1 603 66 66 LEU CD2 C 26.459 0.12 1 604 66 66 LEU N N 128.477 0.19 1 605 67 67 LYS H H 8.998 0.05 1 606 67 67 LYS HA H 5.502 0.05 1 607 67 67 LYS HB3 H 1.728 0.05 2 608 67 67 LYS HG2 H 1.377 0.05 2 609 67 67 LYS HD2 H 1.621 0.05 2 610 67 67 LYS HE2 H 2.992 0.05 2 611 67 67 LYS C C 175.501 0.10 1 612 67 67 LYS CA C 54.392 0.17 1 613 67 67 LYS CB C 36.711 . 1 614 67 67 LYS CG C 25.702 0.10 1 615 67 67 LYS N N 126.091 0.15 1 616 68 68 GLY H H 9.319 0.05 1 617 68 68 GLY HA2 H 2.815 0.05 2 618 68 68 GLY HA3 H 4.922 0.05 2 619 68 68 GLY C C 171.858 0.10 1 620 68 68 GLY CA C 44.352 0.15 1 621 68 68 GLY N N 111.592 0.19 1 622 69 69 SER H H 8.753 0.05 1 623 69 69 SER HA H 5.925 0.05 1 624 69 69 SER HB2 H 3.631 0.05 2 625 69 69 SER HB3 H 3.947 0.05 2 626 69 69 SER C C 172.268 0.10 1 627 69 69 SER CA C 56.841 0.18 1 628 69 69 SER CB C 65.980 0.22 1 629 69 69 SER N N 121.008 0.24 1 630 70 70 ILE H H 9.466 0.05 1 631 70 70 ILE HA H 5.881 0.05 1 632 70 70 ILE HB H 2.071 0.05 1 633 70 70 ILE HG12 H 1.160 0.05 2 634 70 70 ILE HG13 H 1.606 0.05 2 635 70 70 ILE HG2 H 1.300 0.05 1 636 70 70 ILE HD1 H 0.228 0.05 1 637 70 70 ILE C C 173.925 0.10 1 638 70 70 ILE CA C 58.455 0.15 1 639 70 70 ILE CB C 43.261 0.17 1 640 70 70 ILE CG1 C 30.658 0.18 1 641 70 70 ILE CG2 C 16.654 0.17 1 642 70 70 ILE CD1 C 14.113 0.13 1 643 70 70 ILE N N 126.261 0.19 1 644 71 71 ALA H H 8.466 0.05 1 645 71 71 ALA HA H 5.189 0.05 1 646 71 71 ALA HB H 1.323 0.05 1 647 71 71 ALA C C 176.400 0.10 1 648 71 71 ALA CA C 52.471 0.12 1 649 71 71 ALA CB C 21.991 0.26 1 650 71 71 ALA N N 130.816 0.16 1 651 72 72 VAL H H 8.203 0.05 1 652 72 72 VAL HA H 5.002 0.05 1 653 72 72 VAL HB H 2.199 0.05 1 654 72 72 VAL HG2 H 1.095 0.05 2 655 72 72 VAL C C 175.158 0.10 1 656 72 72 VAL CA C 61.232 0.12 1 657 72 72 VAL CB C 34.179 0.16 1 658 72 72 VAL CG1 C 22.303 0.31 1 659 72 72 VAL N N 126.137 0.22 1 660 73 73 THR H H 9.139 0.05 1 661 73 73 THR HA H 5.003 0.05 1 662 73 73 THR HB H 4.098 0.05 1 663 73 73 THR HG2 H 1.270 0.05 1 664 73 73 THR CA C 58.419 0.21 1 665 73 73 THR CB C 71.463 0.25 1 666 73 73 THR CG2 C 21.723 0.11 1 667 73 73 THR N N 122.106 0.18 1 668 74 74 PRO HA H 4.647 0.05 1 669 74 74 PRO HB2 H 1.859 0.05 2 670 74 74 PRO HB3 H 2.472 0.05 2 671 74 74 PRO HD2 H 3.061 0.05 2 672 74 74 PRO C C 177.031 0.10 1 673 74 74 PRO CA C 63.262 0.18 1 674 74 74 PRO CB C 32.683 0.16 1 675 74 74 PRO CG C 27.729 0.10 1 676 75 75 ILE H H 8.049 0.05 1 677 75 75 ILE HA H 3.573 0.05 1 678 75 75 ILE HB H 1.283 0.05 1 679 75 75 ILE HG12 H 0.952 0.05 2 680 75 75 ILE HG13 H -0.288 0.05 2 681 75 75 ILE HG2 H 0.673 0.05 1 682 75 75 ILE HD1 H 0.529 0.05 1 683 75 75 ILE C C 177.183 0.10 1 684 75 75 ILE CA C 63.589 0.26 1 685 75 75 ILE CB C 38.044 0.24 1 686 75 75 ILE CG1 C 28.013 0.13 1 687 75 75 ILE CG2 C 17.110 0.18 1 688 75 75 ILE CD1 C 13.405 0.12 1 689 75 75 ILE N N 125.021 0.18 1 690 76 76 GLY H H 8.444 0.05 1 691 76 76 GLY HA2 H 3.770 0.05 2 692 76 76 GLY HA3 H 4.129 0.05 2 693 76 76 GLY C C 174.045 0.10 1 694 76 76 GLY CA C 45.899 0.18 1 695 76 76 GLY N N 111.484 0.19 1 696 77 77 VAL H H 7.817 0.05 1 697 77 77 VAL HA H 4.103 0.05 1 698 77 77 VAL HB H 2.069 0.05 1 699 77 77 VAL HG1 H 0.928 0.05 2 700 77 77 VAL C C 176.399 0.10 1 701 77 77 VAL CA C 62.817 0.23 1 702 77 77 VAL CB C 32.419 0.18 1 703 77 77 VAL CG1 C 20.687 0.13 1 704 77 77 VAL N N 122.234 0.17 1 705 78 78 GLY H H 8.449 0.05 1 706 78 78 GLY HA2 H 3.905 0.05 2 707 78 78 GLY HA3 H 4.117 0.05 2 708 78 78 GLY C C 173.494 0.10 1 709 78 78 GLY CA C 45.071 0.15 1 710 78 78 GLY N N 114.251 0.23 1 711 79 79 ASP H H 8.125 0.05 1 712 79 79 ASP HA H 4.774 0.05 1 713 79 79 ASP HB2 H 2.456 0.05 2 714 79 79 ASP HB3 H 2.759 0.05 2 715 79 79 ASP C C 175.721 0.12 1 716 79 79 ASP CA C 54.442 0.14 1 717 79 79 ASP CB C 42.467 0.16 1 718 79 79 ASP N N 121.692 0.14 1 719 80 80 GLY H H 8.089 0.05 1 720 80 80 GLY HA2 H 3.732 0.05 2 721 80 80 GLY HA3 H 4.242 0.05 2 722 80 80 GLY C C 175.160 0.10 1 723 80 80 GLY CA C 44.874 0.15 1 724 80 80 GLY N N 108.219 0.16 1 725 81 81 SER H H 8.267 0.05 1 726 81 81 SER HA H 5.071 0.05 1 727 81 81 SER HB2 H 3.070 0.05 2 728 81 81 SER HB3 H 3.364 0.05 2 729 81 81 SER C C 171.739 0.10 1 730 81 81 SER CA C 58.477 0.15 1 731 81 81 SER CB C 65.871 0.20 1 732 81 81 SER N N 115.693 0.17 1 733 82 82 HIS H H 9.423 0.05 1 734 82 82 HIS HA H 5.236 0.05 1 735 82 82 HIS HB2 H 3.031 0.05 1 736 82 82 HIS C C 174.072 0.10 1 737 82 82 HIS CA C 54.257 0.13 1 738 82 82 HIS CB C 30.410 0.39 1 739 82 82 HIS N N 123.380 0.26 1 740 83 83 VAL H H 8.965 0.05 1 741 83 83 VAL HA H 4.453 0.05 1 742 83 83 VAL HB H 0.313 0.05 1 743 83 83 VAL HG1 H 0.214 0.05 2 744 83 83 VAL C C 174.505 0.10 1 745 83 83 VAL CA C 61.119 0.17 1 746 83 83 VAL CB C 32.742 0.17 1 747 83 83 VAL CG1 C 22.450 0.10 1 748 83 83 VAL N N 126.741 0.17 1 749 84 84 VAL H H 8.239 0.05 1 750 84 84 VAL HA H 4.645 0.05 1 751 84 84 VAL HB H 1.864 0.05 1 752 84 84 VAL HG1 H 0.833 0.05 2 753 84 84 VAL C C 174.672 0.10 1 754 84 84 VAL CA C 61.371 0.20 1 755 84 84 VAL CB C 34.031 0.17 1 756 84 84 VAL CG1 C 21.003 0.10 1 757 84 84 VAL N N 126.722 0.29 1 758 85 85 TRP H H 8.938 0.05 1 759 85 85 TRP HA H 5.810 0.05 1 760 85 85 TRP HB2 H 2.779 0.05 2 761 85 85 TRP HB3 H 3.188 0.05 2 762 85 85 TRP C C 173.670 0.10 1 763 85 85 TRP CA C 54.699 0.11 1 764 85 85 TRP CB C 33.113 0.29 1 765 85 85 TRP N N 131.537 0.15 1 766 86 86 THR H H 8.373 0.05 1 767 86 86 THR HA H 5.316 0.05 1 768 86 86 THR HB H 4.017 0.05 1 769 86 86 THR HG2 H 1.203 0.05 2 770 86 86 THR C C 173.677 0.10 1 771 86 86 THR CA C 60.303 0.21 1 772 86 86 THR CB C 71.832 0.26 1 773 86 86 THR CG2 C 22.782 0.10 1 774 86 86 THR N N 123.452 0.18 1 775 87 87 PHE H H 9.093 0.05 1 776 87 87 PHE HA H 5.685 0.05 1 777 87 87 PHE HB2 H 2.793 0.05 1 778 87 87 PHE HD1 H 7.069 0.05 4 779 87 87 PHE HD2 H 7.069 0.05 4 780 87 87 PHE C C 174.847 0.10 1 781 87 87 PHE CA C 55.906 0.14 1 782 87 87 PHE CB C 41.806 0.18 1 783 87 87 PHE N N 124.035 0.18 1 784 88 88 HIS H H 9.167 0.05 1 785 88 88 HIS HA H 4.857 0.05 1 786 88 88 HIS HB2 H 2.760 0.05 2 787 88 88 HIS HB3 H 3.024 0.05 2 788 88 88 HIS C C 175.559 0.10 1 789 88 88 HIS CA C 55.962 0.14 1 790 88 88 HIS CB C 32.467 0.10 1 791 88 88 HIS N N 123.437 0.19 1 792 89 89 PHE H H 8.157 0.05 1 793 89 89 PHE HA H 5.558 0.05 1 794 89 89 PHE HB2 H 2.554 0.05 2 795 89 89 PHE HB3 H 2.965 0.05 2 796 89 89 PHE HD1 H 6.773 0.05 4 797 89 89 PHE HD2 H 6.773 0.05 4 798 89 89 PHE HE1 H 7.134 0.05 4 799 89 89 PHE HE2 H 7.134 0.05 4 800 89 89 PHE C C 173.849 0.10 1 801 89 89 PHE CA C 54.662 0.14 1 802 89 89 PHE CB C 43.721 0.16 1 803 89 89 PHE N N 121.292 0.19 1 804 90 90 GLU H H 8.380 0.05 1 805 90 90 GLU HA H 5.160 0.05 1 806 90 90 GLU HB2 H 2.024 0.05 2 807 90 90 GLU HG3 H 2.167 0.05 2 808 90 90 GLU C C 176.735 0.10 1 809 90 90 GLU CA C 55.453 0.13 1 810 90 90 GLU CB C 32.667 0.23 1 811 90 90 GLU CG C 36.523 0.18 1 812 90 90 GLU N N 120.750 0.15 1 813 91 91 LYS H H 9.526 0.05 1 814 91 91 LYS HA H 4.776 0.05 1 815 91 91 LYS HB2 H 2.160 0.05 2 816 91 91 LYS HB3 H 1.836 0.05 2 817 91 91 LYS C C 176.331 0.10 1 818 91 91 LYS CA C 57.647 0.20 1 819 91 91 LYS CB C 35.980 0.14 1 820 91 91 LYS N N 129.658 0.15 1 821 92 92 VAL H H 8.107 0.05 1 822 92 92 VAL HA H 3.826 0.05 1 823 92 92 VAL HB H 1.882 0.05 1 824 92 92 VAL HG2 H 0.823 0.05 2 825 92 92 VAL C C 175.635 0.10 1 826 92 92 VAL CA C 65.242 0.22 1 827 92 92 VAL CB C 32.399 0.14 1 828 92 92 VAL CG1 C 21.056 0.10 1 829 92 92 VAL CG2 C 21.629 0.10 1 830 92 92 VAL N N 116.541 0.15 1 831 93 93 HIS H H 6.976 0.05 1 832 93 93 HIS HA H 4.552 0.05 1 833 93 93 HIS HB2 H 4.590 0.05 2 834 93 93 HIS HB3 H 3.229 0.05 2 835 93 93 HIS C C 175.119 0.10 1 836 93 93 HIS CA C 55.951 0.13 1 837 93 93 HIS CB C 33.142 0.13 1 838 93 93 HIS N N 113.677 0.20 1 839 94 94 LYS H H 8.582 0.05 1 840 94 94 LYS HA H 4.037 0.05 1 841 94 94 LYS HB2 H 2.005 0.05 2 842 94 94 LYS HG3 H 1.411 0.05 2 843 94 94 LYS HD3 H 1.757 0.05 2 844 94 94 LYS C C 176.512 0.10 1 845 94 94 LYS CA C 58.633 0.15 1 846 94 94 LYS CB C 32.618 0.20 1 847 94 94 LYS CG C 23.820 0.10 1 848 94 94 LYS CD C 29.562 0.10 1 849 94 94 LYS N N 119.413 0.23 1 850 95 95 ASP H H 9.717 0.05 1 851 95 95 ASP HA H 4.939 0.05 1 852 95 95 ASP HB2 H 2.698 0.05 2 853 95 95 ASP HB3 H 3.037 0.05 2 854 95 95 ASP C C 175.988 0.12 1 855 95 95 ASP CA C 55.016 0.12 1 856 95 95 ASP CB C 41.021 0.11 1 857 95 95 ASP N N 123.165 0.15 1 858 96 96 ILE H H 7.101 0.05 1 859 96 96 ILE HA H 3.943 0.05 1 860 96 96 ILE HB H 1.939 0.05 1 861 96 96 ILE HG12 H 1.447 0.05 2 862 96 96 ILE HG13 H 1.265 0.05 2 863 96 96 ILE HG2 H 0.833 0.05 2 864 96 96 ILE HD1 H 0.780 0.05 2 865 96 96 ILE C C 175.767 0.10 1 866 96 96 ILE CA C 58.601 0.13 1 867 96 96 ILE CB C 37.621 0.11 1 868 96 96 ILE CG1 C 26.881 0.10 1 869 96 96 ILE CG2 C 16.916 0.10 1 870 96 96 ILE CD1 C 11.754 0.21 1 871 96 96 ILE N N 124.264 0.18 1 872 97 97 ASP H H 8.561 0.05 1 873 97 97 ASP HA H 4.609 0.05 1 874 97 97 ASP HB2 H 2.550 0.05 2 875 97 97 ASP HB3 H 2.837 0.05 2 876 97 97 ASP C C 177.612 0.10 1 877 97 97 ASP CA C 54.675 0.10 1 878 97 97 ASP CB C 41.202 0.12 1 879 97 97 ASP N N 129.132 0.15 1 880 98 98 ASP H H 8.636 0.05 1 881 98 98 ASP HA H 4.081 0.05 1 882 98 98 ASP HB2 H 2.105 0.05 2 883 98 98 ASP HB3 H 2.413 0.05 2 884 98 98 ASP CA C 53.507 0.10 1 885 98 98 ASP CB C 39.105 0.17 1 886 98 98 ASP N N 122.991 0.17 1 887 101 101 SER HA H 4.329 0.05 1 888 101 101 SER HB2 H 3.933 0.05 2 889 101 101 SER C C 177.070 0.10 1 890 101 101 SER CA C 61.901 0.22 1 891 101 101 SER CB C 62.058 0.10 1 892 102 102 ILE H H 7.140 0.05 1 893 102 102 ILE HA H 4.123 0.05 1 894 102 102 ILE HB H 1.634 0.05 1 895 102 102 ILE HG12 H 0.987 0.05 2 896 102 102 ILE HG13 H 1.413 0.05 2 897 102 102 ILE HG2 H 0.840 0.05 1 898 102 102 ILE HD1 H 0.477 0.05 1 899 102 102 ILE C C 180.293 0.10 1 900 102 102 ILE CA C 64.026 0.11 1 901 102 102 ILE CB C 37.849 0.13 1 902 102 102 ILE CG2 C 18.175 0.17 1 903 102 102 ILE CD1 C 12.881 0.18 1 904 102 102 ILE N N 120.842 0.21 1 905 103 103 ILE H H 8.159 0.05 1 906 103 103 ILE HA H 4.171 0.05 1 907 103 103 ILE HB H 2.317 0.05 1 908 103 103 ILE HG12 H 1.575 0.05 2 909 103 103 ILE HG2 H 1.157 0.05 2 910 103 103 ILE HD1 H 0.829 0.05 2 911 103 103 ILE C C 177.569 0.10 1 912 103 103 ILE CA C 64.912 0.24 1 913 103 103 ILE CB C 36.619 0.15 1 914 103 103 ILE CG2 C 16.935 0.18 1 915 103 103 ILE CD1 C 11.902 0.16 1 916 103 103 ILE N N 127.131 0.13 1 917 104 104 ASP H H 8.247 0.05 1 918 104 104 ASP HA H 4.470 0.05 1 919 104 104 ASP HB3 H 2.792 0.05 2 920 104 104 ASP C C 179.502 0.10 1 921 104 104 ASP CA C 57.977 0.15 1 922 104 104 ASP CB C 40.644 0.16 1 923 104 104 ASP N N 123.837 0.21 1 924 105 105 GLU H H 7.910 0.05 1 925 105 105 GLU HA H 4.040 0.05 1 926 105 105 GLU HB2 H 2.158 0.05 2 927 105 105 GLU HG3 H 2.351 0.05 2 928 105 105 GLU C C 179.680 0.10 1 929 105 105 GLU CA C 59.344 0.20 1 930 105 105 GLU CB C 30.030 0.11 1 931 105 105 GLU CG C 36.406 0.11 1 932 105 105 GLU N N 119.884 0.25 1 933 106 106 SER H H 8.258 0.05 1 934 106 106 SER HA H 3.974 0.05 1 935 106 106 SER HB2 H 3.533 0.05 2 936 106 106 SER HB3 H 4.244 0.05 2 937 106 106 SER C C 174.253 0.10 1 938 106 106 SER CA C 62.570 0.22 1 939 106 106 SER N N 118.918 0.15 1 940 107 107 VAL H H 8.308 0.05 1 941 107 107 VAL HA H 3.293 0.05 1 942 107 107 VAL HB H 2.088 0.05 1 943 107 107 VAL HG1 H 0.471 0.05 2 944 107 107 VAL HG2 H 1.065 0.05 2 945 107 107 VAL C C 177.346 0.10 1 946 107 107 VAL CA C 67.574 0.20 1 947 107 107 VAL CB C 31.712 0.22 1 948 107 107 VAL CG1 C 20.722 0.19 1 949 107 107 VAL CG2 C 24.094 0.20 1 950 107 107 VAL N N 123.949 0.15 1 951 108 108 LYS H H 7.516 0.05 1 952 108 108 LYS HA H 3.855 0.05 1 953 108 108 LYS HB3 H 1.863 0.05 2 954 108 108 LYS HG2 H 1.395 0.05 2 955 108 108 LYS HG3 H 1.517 0.05 2 956 108 108 LYS HD3 H 1.641 0.05 1 957 108 108 LYS HE3 H 2.736 0.05 1 958 108 108 LYS C C 179.294 0.10 1 959 108 108 LYS CA C 60.028 0.13 1 960 108 108 LYS CB C 32.630 0.13 1 961 108 108 LYS CG C 25.853 0.12 1 962 108 108 LYS CD C 29.747 0.10 1 963 108 108 LYS CE C 39.300 0.10 1 964 108 108 LYS N N 119.294 0.18 1 965 109 109 TYR H H 7.540 0.05 1 966 109 109 TYR HA H 4.138 0.05 1 967 109 109 TYR HB3 H 2.965 0.05 1 968 109 109 TYR C C 176.959 0.10 1 969 109 109 TYR CA C 60.862 0.10 1 970 109 109 TYR CB C 37.183 0.17 1 971 109 109 TYR N N 121.510 0.18 1 972 110 110 PHE H H 8.485 0.05 1 973 110 110 PHE HB2 H 1.987 0.05 1 974 110 110 PHE HD1 H 6.341 0.05 4 975 110 110 PHE HD2 H 6.341 0.05 4 976 110 110 PHE HE1 H 6.628 0.05 4 977 110 110 PHE HE2 H 6.628 0.05 4 978 110 110 PHE C C 178.376 0.10 1 979 110 110 PHE CA C 61.449 0.15 1 980 110 110 PHE CB C 39.773 0.16 1 981 110 110 PHE N N 121.716 0.18 1 982 111 111 LYS H H 8.360 0.05 1 983 111 111 LYS HA H 4.158 0.05 1 984 111 111 LYS HB3 H 2.110 0.05 2 985 111 111 LYS HG2 H 1.465 0.05 2 986 111 111 LYS HD3 H 1.740 0.05 2 987 111 111 LYS C C 179.429 0.10 1 988 111 111 LYS CA C 59.650 0.16 1 989 111 111 LYS CB C 32.335 0.15 1 990 111 111 LYS CG C 26.306 0.10 1 991 111 111 LYS CD C 29.494 0.10 1 992 111 111 LYS N N 119.811 0.14 1 993 112 112 LYS H H 7.786 0.05 1 994 112 112 LYS HA H 4.127 0.05 1 995 112 112 LYS HB3 H 1.875 0.05 2 996 112 112 LYS HG3 H 1.480 0.05 2 997 112 112 LYS HD2 H 1.652 0.05 2 998 112 112 LYS HE2 H 2.984 0.05 2 999 112 112 LYS HE3 H 3.114 0.05 2 1000 112 112 LYS C C 179.221 0.10 1 1001 112 112 LYS CA C 59.041 0.14 1 1002 112 112 LYS CB C 32.118 0.11 1 1003 112 112 LYS CG C 25.441 0.11 1 1004 112 112 LYS CD C 29.532 0.12 1 1005 112 112 LYS N N 122.682 0.23 1 1006 113 113 LEU H H 8.335 0.05 1 1007 113 113 LEU HA H 4.008 0.05 1 1008 113 113 LEU HB3 H 1.948 0.05 2 1009 113 113 LEU HG H 1.380 0.05 1 1010 113 113 LEU HD1 H 0.764 0.05 2 1011 113 113 LEU HD2 H 0.578 0.05 2 1012 113 113 LEU C C 177.703 0.10 1 1013 113 113 LEU CA C 58.041 0.23 1 1014 113 113 LEU CB C 42.056 0.18 1 1015 113 113 LEU CG C 26.022 0.10 1 1016 113 113 LEU CD1 C 22.846 0.18 1 1017 113 113 LEU CD2 C 24.319 0.24 1 1018 113 113 LEU N N 125.657 0.17 1 1019 114 114 ASP H H 8.018 0.05 1 1020 114 114 ASP HA H 4.596 0.05 1 1021 114 114 ASP HB2 H 2.898 0.05 2 1022 114 114 ASP HB3 H 3.095 0.05 2 1023 114 114 ASP C C 177.431 0.10 1 1024 114 114 ASP CA C 57.729 0.23 1 1025 114 114 ASP CB C 43.160 0.16 1 1026 114 114 ASP N N 118.345 0.21 1 1027 115 115 GLU H H 7.465 0.05 1 1028 115 115 GLU HA H 3.904 0.05 1 1029 115 115 GLU HB3 H 2.037 0.05 2 1030 115 115 GLU HG2 H 2.259 0.05 2 1031 115 115 GLU HG3 H 2.483 0.05 2 1032 115 115 GLU C C 178.612 0.10 1 1033 115 115 GLU CA C 59.106 0.18 1 1034 115 115 GLU CB C 30.249 0.12 1 1035 115 115 GLU CG C 36.570 0.10 1 1036 115 115 GLU N N 115.856 0.18 1 1037 116 116 ALA H H 8.254 0.05 1 1038 116 116 ALA HA H 4.129 0.05 1 1039 116 116 ALA HB H 1.541 0.05 1 1040 116 116 ALA C C 180.928 0.10 1 1041 116 116 ALA CA C 54.775 0.13 1 1042 116 116 ALA CB C 18.462 0.23 1 1043 116 116 ALA N N 123.223 0.13 1 1044 117 117 ILE H H 8.277 0.05 1 1045 117 117 ILE HA H 3.769 0.05 1 1046 117 117 ILE HB H 2.110 0.05 1 1047 117 117 ILE HG12 H 1.683 0.05 2 1048 117 117 ILE HG13 H 1.249 0.05 2 1049 117 117 ILE HG2 H 0.943 0.05 1 1050 117 117 ILE HD1 H 0.847 0.05 1 1051 117 117 ILE C C 178.938 0.10 1 1052 117 117 ILE CA C 63.340 0.16 1 1053 117 117 ILE CB C 38.119 0.12 1 1054 117 117 ILE CG2 C 18.625 0.11 1 1055 117 117 ILE CD1 C 14.624 0.34 1 1056 117 117 ILE N N 119.650 0.20 1 1057 118 118 LEU H H 7.807 0.05 1 1058 118 118 LEU HA H 4.150 0.05 1 1059 118 118 LEU HB2 H 1.583 0.05 2 1060 118 118 LEU HB3 H 1.780 0.05 2 1061 118 118 LEU HG H 0.879 0.05 1 1062 118 118 LEU HD2 H 0.885 0.05 2 1063 118 118 LEU C C 178.135 0.10 1 1064 118 118 LEU CA C 56.883 0.13 1 1065 118 118 LEU CB C 42.353 0.15 1 1066 118 118 LEU CG C 25.783 0.16 1 1067 118 118 LEU CD2 C 24.052 0.23 1 1068 118 118 LEU N N 122.184 0.16 1 1069 119 119 ASN H H 7.787 0.05 1 1070 119 119 ASN HA H 4.707 0.05 1 1071 119 119 ASN HB2 H 2.833 0.05 2 1072 119 119 ASN HB3 H 2.755 0.05 2 1073 119 119 ASN HD21 H 6.981 0.05 2 1074 119 119 ASN HD22 H 7.683 0.05 2 1075 119 119 ASN C C 174.746 0.10 1 1076 119 119 ASN CA C 53.459 0.18 1 1077 119 119 ASN CB C 39.312 0.11 1 1078 119 119 ASN N N 117.027 0.15 1 1079 119 119 ASN ND2 N 115.009 0.10 1 1080 120 120 PHE H H 7.756 0.05 1 1081 120 120 PHE HA H 4.567 0.05 1 1082 120 120 PHE HB3 H 3.185 0.05 2 1083 120 120 PHE HD1 H 7.298 0.05 4 1084 120 120 PHE HD2 H 7.298 0.05 4 1085 120 120 PHE C C 175.301 0.10 1 1086 120 120 PHE CA C 58.508 0.11 1 1087 120 120 PHE CB C 39.413 0.12 1 1088 120 120 PHE N N 122.568 0.17 1 1089 121 121 LYS H H 8.016 0.05 1 1090 121 121 LYS HA H 4.315 0.05 1 1091 121 121 LYS HB2 H 1.654 0.05 2 1092 121 121 LYS HG3 H 1.389 0.05 2 1093 121 121 LYS HE2 H 2.992 0.05 2 1094 121 121 LYS C C 174.764 0.10 1 1095 121 121 LYS CA C 55.731 0.18 1 1096 121 121 LYS CB C 33.825 0.13 1 1097 121 121 LYS CG C 24.605 0.10 1 1098 121 121 LYS CD C 29.971 0.10 1 1099 121 121 LYS CE C 42.417 0.10 1 1100 121 121 LYS N N 127.143 0.19 1 1101 122 122 GLU H H 7.891 0.05 1 1102 122 122 GLU HA H 4.025 0.05 1 1103 122 122 GLU HB2 H 1.914 0.05 2 1104 122 122 GLU HB3 H 2.077 0.05 2 1105 122 122 GLU HG2 H 2.197 0.05 2 1106 122 122 GLU CA C 58.065 0.10 1 1107 122 122 GLU CB C 31.194 0.10 1 1108 122 122 GLU N N 128.950 0.16 1 stop_ save_