data_6340 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of AT3g03773 from Arabidopsis Thaliana ; _BMRB_accession_number 6340 _BMRB_flat_file_name bmr6340.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" 795 "13C chemical shifts" 590 "15N chemical shifts" 158 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-06 update BMRB 'added time domain data' 2004-10-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of AT3g03773 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 'p23 domain' loop_ _Keyword 'Structural Genomics' 'Protein Structure Initiative' stop_ save_ ################################## # Molecular system description # ################################## save_system_AT3g03773 _Saveframe_category molecular_system _Mol_system_name 'AT3g03773 monomer' _Abbreviation_common AT3g03773 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AT3g03773 monomer' $AT3g03773_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_AT3g03773_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 150 _Mol_residue_sequence ; MSRNPEVLWAQRSDKVYLTV ALPDAKDISVKCEPQGLFSF SALGAQGERFEFSLELYGKI MTEYRKNVGLRNIIFSIQKE ERSWWTRLLKSEEKPAPYIK VDWNKWCDEDEEVNSETASD DESAFVNQDSESSDDDGLLY LPDLEKARNK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ARG 4 ASN 5 PRO 6 GLU 7 VAL 8 LEU 9 TRP 10 ALA 11 GLN 12 ARG 13 SER 14 ASP 15 LYS 16 VAL 17 TYR 18 LEU 19 THR 20 VAL 21 ALA 22 LEU 23 PRO 24 ASP 25 ALA 26 LYS 27 ASP 28 ILE 29 SER 30 VAL 31 LYS 32 CYS 33 GLU 34 PRO 35 GLN 36 GLY 37 LEU 38 PHE 39 SER 40 PHE 41 SER 42 ALA 43 LEU 44 GLY 45 ALA 46 GLN 47 GLY 48 GLU 49 ARG 50 PHE 51 GLU 52 PHE 53 SER 54 LEU 55 GLU 56 LEU 57 TYR 58 GLY 59 LYS 60 ILE 61 MET 62 THR 63 GLU 64 TYR 65 ARG 66 LYS 67 ASN 68 VAL 69 GLY 70 LEU 71 ARG 72 ASN 73 ILE 74 ILE 75 PHE 76 SER 77 ILE 78 GLN 79 LYS 80 GLU 81 GLU 82 ARG 83 SER 84 TRP 85 TRP 86 THR 87 ARG 88 LEU 89 LEU 90 LYS 91 SER 92 GLU 93 GLU 94 LYS 95 PRO 96 ALA 97 PRO 98 TYR 99 ILE 100 LYS 101 VAL 102 ASP 103 TRP 104 ASN 105 LYS 106 TRP 107 CYS 108 ASP 109 GLU 110 ASP 111 GLU 112 GLU 113 VAL 114 ASN 115 SER 116 GLU 117 THR 118 ALA 119 SER 120 ASP 121 ASP 122 GLU 123 SER 124 ALA 125 PHE 126 VAL 127 ASN 128 GLN 129 ASP 130 SER 131 GLU 132 SER 133 SER 134 ASP 135 ASP 136 ASP 137 GLY 138 LEU 139 LEU 140 TYR 141 LEU 142 PRO 143 ASP 144 LEU 145 GLU 146 LYS 147 ALA 148 ARG 149 ASN 150 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 16442 At3g03773.1 99.33 150 100.00 100.00 3.60e-103 PDB 2KMW "Solution Structure Of At3g03773.1 Protein From Arabidopsis Thaliana" 99.33 150 100.00 100.00 3.60e-103 GB AAT41786 "At3g03773 [Arabidopsis thaliana]" 100.00 150 100.00 100.00 4.18e-104 GB AAT68743 "hypothetical protein At3g03773 [Arabidopsis thaliana]" 100.00 150 100.00 100.00 4.18e-104 GB AAT68744 "hypothetical protein At3g03773 [Arabidopsis thaliana]" 78.00 117 97.44 99.15 1.38e-77 GB AAT70471 "At3g03773 [Arabidopsis thaliana]" 100.00 150 100.00 100.00 4.18e-104 GB AAX55169 "hypothetical protein At3g03773 [Arabidopsis thaliana]" 100.00 150 100.00 100.00 4.18e-104 REF NP_001154589 "p23 co-chaperone protein [Arabidopsis thaliana]" 100.00 204 99.33 99.33 1.03e-102 REF NP_683525 "p23 co-chaperone protein [Arabidopsis thaliana]" 100.00 150 100.00 100.00 4.18e-104 SP Q6ID70 "RecName: Full=Uncharacterized protein At3g03773 [Arabidopsis thaliana]" 100.00 150 100.00 100.00 4.18e-104 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AT3g03773_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 $AT3g03773_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 $AT3g03773_monomer 1 mM 0.5 1.0 '[U-13C; U-15N]' Bis-Tris 10 mM . . . NaCl 50 mM . . . 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_N15_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'N15 HSQC' _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HBHACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _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_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-TOCSY _Sample_label . save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'N15 HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _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 HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-TOCSY _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 'ionic strength' 0.05 0.002 M 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 'AT3g03773 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 SER CA C 58.295 0.3 1 2 . 2 SER HA H 4.609 0.03 1 3 . 2 SER CB C 64.451 0.3 1 4 . 2 SER HB3 H 3.701 0.03 2 5 . 2 SER C C 173.453 0.3 1 6 . 3 ARG N N 121.912 0.3 1 7 . 3 ARG H H 8.436 0.03 1 8 . 3 ARG CA C 55.463 0.3 1 9 . 3 ARG HA H 4.400 0.03 1 10 . 3 ARG CB C 32.352 0.3 1 11 . 3 ARG HB3 H 1.604 0.03 2 12 . 3 ARG HB2 H 1.288 0.03 2 13 . 3 ARG CG C 27.073 0.3 1 14 . 3 ARG HG3 H 1.410 0.03 2 15 . 3 ARG CD C 43.695 0.3 1 16 . 3 ARG HD3 H 2.924 0.03 2 17 . 3 ARG HD2 H 2.983 0.03 2 18 . 3 ARG C C 175.217 0.3 1 19 . 4 ASN N N 119.649 0.3 1 20 . 4 ASN H H 8.542 0.03 1 21 . 4 ASN CA C 50.787 0.3 1 22 . 4 ASN HA H 5.451 0.03 1 23 . 4 ASN CB C 39.321 0.3 1 24 . 4 ASN HB3 H 1.916 0.03 2 25 . 4 ASN HB2 H 1.612 0.03 2 26 . 4 ASN ND2 N 109.812 0.3 1 27 . 4 ASN HD21 H 7.630 0.03 2 28 . 4 ASN HD22 H 6.970 0.03 2 29 . 5 PRO CA C 61.948 0.3 1 30 . 5 PRO HA H 4.760 0.03 1 31 . 5 PRO CB C 31.571 0.3 1 32 . 5 PRO HB3 H 1.730 0.03 2 33 . 5 PRO HB2 H 1.840 0.03 2 34 . 5 PRO CG C 26.848 0.3 1 35 . 5 PRO HG3 H 1.724 0.03 2 36 . 5 PRO CD C 50.138 0.3 1 37 . 5 PRO HD3 H 4.014 0.03 2 38 . 5 PRO HD2 H 3.630 0.03 2 39 . 5 PRO C C 172.920 0.3 1 40 . 6 GLU N N 116.933 0.3 1 41 . 6 GLU H H 8.142 0.03 1 42 . 6 GLU CA C 57.527 0.3 1 43 . 6 GLU HA H 4.646 0.03 1 44 . 6 GLU CB C 31.044 0.3 1 45 . 6 GLU HB3 H 1.961 0.03 2 46 . 6 GLU HB2 H 1.977 0.03 2 47 . 6 GLU CG C 37.814 0.3 1 48 . 6 GLU HG3 H 2.329 0.03 2 49 . 6 GLU HG2 H 2.160 0.03 2 50 . 6 GLU C C 175.455 0.3 1 51 . 7 VAL N N 124.930 0.3 1 52 . 7 VAL H H 8.893 0.03 1 53 . 7 VAL CA C 61.046 0.3 1 54 . 7 VAL HA H 4.671 0.03 1 55 . 7 VAL CB C 34.932 0.3 1 56 . 7 VAL HB H 1.640 0.03 1 57 . 7 VAL CG2 C 21.222 0.3 1 58 . 7 VAL HG2 H 0.502 0.03 2 59 . 7 VAL CG1 C 21.255 0.3 1 60 . 7 VAL HG1 H 0.130 0.03 2 61 . 7 VAL C C 173.641 0.3 1 62 . 8 LEU N N 125.232 0.3 1 63 . 8 LEU H H 9.291 0.03 1 64 . 8 LEU CA C 52.722 0.3 1 65 . 8 LEU HA H 5.704 0.03 1 66 . 8 LEU CB C 44.101 0.3 1 67 . 8 LEU HB3 H 1.122 0.03 2 68 . 8 LEU HB2 H 1.570 0.03 2 69 . 8 LEU CG C 27.935 0.3 1 70 . 8 LEU HG H 1.353 0.03 1 71 . 8 LEU CD1 C 24.414 0.3 1 72 . 8 LEU CD2 C 25.789 0.3 1 73 . 8 LEU HD2 H 0.774 0.03 2 74 . 8 LEU C C 178.008 0.3 1 75 . 9 TRP N N 124.025 0.3 1 76 . 9 TRP H H 9.233 0.03 1 77 . 9 TRP CA C 54.651 0.3 1 78 . 9 TRP HA H 6.380 0.03 1 79 . 9 TRP CB C 34.694 0.3 1 80 . 9 TRP HB3 H 3.547 0.03 2 81 . 9 TRP HB2 H 2.646 0.03 2 82 . 9 TRP HD1 H 6.971 0.03 1 83 . 9 TRP NE1 N 130.769 0.3 1 84 . 9 TRP HE1 H 10.543 0.03 4 85 . 9 TRP HZ2 H 7.499 0.03 4 86 . 9 TRP C C 173.300 0.3 1 87 . 10 ALA N N 120.263 0.3 1 88 . 10 ALA H H 9.014 0.03 1 89 . 10 ALA CA C 51.361 0.3 1 90 . 10 ALA HA H 4.050 0.03 1 91 . 10 ALA CB C 23.144 0.3 1 92 . 10 ALA HB H 1.410 0.03 1 93 . 10 ALA C C 174.733 0.3 1 94 . 11 GLN N N 113.335 0.3 1 95 . 11 GLN H H 8.409 0.03 1 96 . 11 GLN CA C 54.376 0.3 1 97 . 11 GLN HA H 4.645 0.03 1 98 . 11 GLN CB C 32.834 0.3 1 99 . 11 GLN HB3 H 1.951 0.03 2 100 . 11 GLN HB2 H 1.895 0.03 2 101 . 11 GLN CG C 36.414 0.3 1 102 . 11 GLN HG3 H 1.815 0.03 2 103 . 11 GLN HG2 H 1.660 0.03 2 104 . 11 GLN NE2 N 113.557 0.3 1 105 . 11 GLN HE21 H 7.644 0.03 2 106 . 11 GLN HE22 H 6.930 0.03 2 107 . 11 GLN C C 174.385 0.3 1 108 . 12 ARG N N 119.800 0.3 1 109 . 12 ARG H H 8.741 0.03 1 110 . 12 ARG CA C 53.506 0.3 1 111 . 12 ARG HA H 4.669 0.03 1 112 . 12 ARG CB C 33.553 0.3 1 113 . 12 ARG HB3 H 1.536 0.03 2 114 . 12 ARG HB2 H 2.388 0.03 2 115 . 12 ARG CG C 29.388 0.3 1 116 . 12 ARG HG3 H 1.624 0.03 2 117 . 12 ARG CD C 45.254 0.3 1 118 . 12 ARG HD3 H 2.955 0.03 2 119 . 12 ARG HD2 H 3.105 0.03 2 120 . 12 ARG C C 177.142 0.3 1 121 . 13 SER N N 122.333 0.3 1 122 . 13 SER H H 10.845 0.03 1 123 . 13 SER CA C 64.478 0.3 1 124 . 13 SER HA H 3.715 0.03 1 125 . 13 SER CB C 62.374 0.3 1 126 . 13 SER HB3 H 3.900 0.03 2 127 . 13 SER C C 172.861 0.3 1 128 . 14 ASP N N 110.634 0.3 1 129 . 14 ASP H H 8.491 0.03 1 130 . 14 ASP CA C 52.979 0.3 1 131 . 14 ASP HA H 4.599 0.03 1 132 . 14 ASP CB C 42.030 0.3 1 133 . 14 ASP HB3 H 2.863 0.03 2 134 . 14 ASP HB2 H 2.310 0.03 2 135 . 14 ASP C C 176.380 0.3 1 136 . 15 LYS N N 116.821 0.3 1 137 . 15 LYS H H 6.693 0.03 1 138 . 15 LYS CA C 55.420 0.3 1 139 . 15 LYS HA H 5.197 0.03 1 140 . 15 LYS CB C 37.268 0.3 1 141 . 15 LYS HB3 H 1.260 0.03 2 142 . 15 LYS HB2 H 0.970 0.03 2 143 . 15 LYS CG C 23.447 0.3 1 144 . 15 LYS HG3 H 1.012 0.03 2 145 . 15 LYS HG2 H 0.712 0.03 2 146 . 15 LYS CD C 29.297 0.3 1 147 . 15 LYS HD3 H 1.298 0.03 2 148 . 15 LYS HD2 H 1.194 0.03 2 149 . 15 LYS CE C 41.697 0.3 1 150 . 15 LYS HE3 H 2.735 0.03 2 151 . 15 LYS HE2 H 3.067 0.03 2 152 . 15 LYS C C 173.701 0.3 1 153 . 16 VAL N N 121.309 0.3 1 154 . 16 VAL H H 9.185 0.03 1 155 . 16 VAL CA C 61.514 0.3 1 156 . 16 VAL HA H 4.078 0.03 1 157 . 16 VAL CB C 35.363 0.3 1 158 . 16 VAL HB H 1.400 0.03 1 159 . 16 VAL CG2 C 21.887 0.3 1 160 . 16 VAL HG2 H 0.097 0.03 2 161 . 16 VAL CG1 C 20.840 0.3 1 162 . 16 VAL HG1 H 0.731 0.03 2 163 . 16 VAL C C 173.314 0.3 1 164 . 17 TYR N N 124.243 0.3 1 165 . 17 TYR H H 8.660 0.03 1 166 . 17 TYR CA C 56.309 0.3 1 167 . 17 TYR HA H 5.500 0.03 1 168 . 17 TYR CB C 41.154 0.3 1 169 . 17 TYR HB3 H 2.930 0.03 2 170 . 17 TYR HB2 H 2.360 0.03 2 171 . 17 TYR HD1 H 6.676 0.03 3 172 . 17 TYR HE1 H 6.508 0.03 3 173 . 17 TYR C C 175.467 0.3 1 174 . 18 LEU N N 120.693 0.3 1 175 . 18 LEU H H 8.750 0.03 1 176 . 18 LEU CA C 53.393 0.3 1 177 . 18 LEU HA H 5.201 0.03 1 178 . 18 LEU CB C 45.765 0.3 1 179 . 18 LEU HB3 H 1.615 0.03 2 180 . 18 LEU HB2 H 1.066 0.03 2 181 . 18 LEU CG C 26.641 0.3 1 182 . 18 LEU HG H 1.299 0.03 1 183 . 18 LEU CD1 C 24.167 0.3 1 184 . 18 LEU HD1 H 0.669 0.03 2 185 . 18 LEU CD2 C 26.069 0.3 1 186 . 18 LEU HD2 H 0.130 0.03 2 187 . 18 LEU C C 175.516 0.3 1 188 . 19 THR N N 122.507 0.3 1 189 . 19 THR H H 9.542 0.03 1 190 . 19 THR CA C 62.547 0.3 1 191 . 19 THR HA H 5.170 0.03 1 192 . 19 THR CB C 69.314 0.3 1 193 . 19 THR HB H 4.023 0.03 1 194 . 19 THR CG2 C 20.661 0.3 1 195 . 19 THR HG2 H 0.931 0.03 1 196 . 19 THR C C 173.566 0.3 1 197 . 20 VAL N N 127.242 0.3 1 198 . 20 VAL H H 9.689 0.03 1 199 . 20 VAL CA C 61.155 0.3 1 200 . 20 VAL HA H 4.517 0.03 1 201 . 20 VAL CB C 33.153 0.3 1 202 . 20 VAL HB H 2.040 0.03 1 203 . 20 VAL CG2 C 21.604 0.3 1 204 . 20 VAL HG2 H 0.506 0.03 2 205 . 20 VAL CG1 C 21.171 0.3 1 206 . 20 VAL HG1 H 0.826 0.03 2 207 . 20 VAL C C 176.093 0.3 1 208 . 21 ALA N N 134.403 0.3 1 209 . 21 ALA H H 8.816 0.03 1 210 . 21 ALA CA C 51.886 0.3 1 211 . 21 ALA HA H 4.583 0.03 1 212 . 21 ALA CB C 17.674 0.3 1 213 . 21 ALA HB H 1.340 0.03 1 214 . 21 ALA C C 174.974 0.3 1 215 . 22 LEU N N 125.685 0.3 1 216 . 22 LEU H H 7.595 0.03 1 217 . 22 LEU CA C 51.761 0.3 1 218 . 22 LEU HA H 4.576 0.03 1 219 . 22 LEU CB C 44.839 0.3 1 220 . 22 LEU HB3 H 0.805 0.03 2 221 . 22 LEU HB2 H 1.628 0.03 2 222 . 22 LEU CG C 27.236 0.3 1 223 . 22 LEU HG H 1.140 0.03 1 224 . 22 LEU CD1 C 26.323 0.3 1 225 . 22 LEU HD1 H 0.568 0.03 2 226 . 22 LEU CD2 C 23.888 0.3 1 227 . 22 LEU HD2 H 0.248 0.03 2 228 . 23 PRO CA C 62.312 0.3 1 229 . 23 PRO HA H 4.274 0.03 1 230 . 23 PRO CB C 33.053 0.3 1 231 . 23 PRO HB3 H 2.255 0.03 2 232 . 23 PRO HB2 H 1.920 0.03 2 233 . 23 PRO CG C 27.243 0.3 1 234 . 23 PRO HG3 H 2.031 0.03 2 235 . 23 PRO HG2 H 1.923 0.03 2 236 . 23 PRO CD C 51.076 0.3 1 237 . 23 PRO HD3 H 3.736 0.03 2 238 . 23 PRO HD2 H 3.863 0.03 2 239 . 23 PRO C C 175.812 0.3 1 240 . 24 ASP N N 118.354 0.3 1 241 . 24 ASP H H 8.113 0.03 1 242 . 24 ASP CA C 54.990 0.3 1 243 . 24 ASP HA H 4.529 0.03 1 244 . 24 ASP CB C 40.464 0.3 1 245 . 24 ASP HB3 H 2.850 0.03 2 246 . 24 ASP HB2 H 2.460 0.03 2 247 . 24 ASP C C 174.468 0.3 1 248 . 25 ALA N N 118.984 0.3 1 249 . 25 ALA H H 8.119 0.03 1 250 . 25 ALA CA C 53.059 0.3 1 251 . 25 ALA HA H 4.410 0.03 1 252 . 25 ALA CB C 20.861 0.3 1 253 . 25 ALA HB H 1.256 0.03 1 254 . 25 ALA C C 178.287 0.3 1 255 . 26 LYS N N 119.881 0.3 1 256 . 26 LYS H H 8.924 0.03 1 257 . 26 LYS CA C 54.425 0.3 1 258 . 26 LYS HA H 4.645 0.03 1 259 . 26 LYS CB C 36.208 0.3 1 260 . 26 LYS HB3 H 1.815 0.03 2 261 . 26 LYS HB2 H 1.660 0.03 2 262 . 26 LYS CG C 24.377 0.3 1 263 . 26 LYS HG3 H 1.374 0.03 1 264 . 26 LYS HG2 H 1.374 0.03 1 265 . 26 LYS CD C 29.061 0.3 1 266 . 26 LYS HD3 H 1.641 0.03 2 267 . 26 LYS HD2 H 1.586 0.03 2 268 . 26 LYS CE C 42.441 0.3 1 269 . 26 LYS HE3 H 2.912 0.03 2 270 . 26 LYS C C 174.385 0.3 1 271 . 27 ASP N N 120.103 0.3 1 272 . 27 ASP H H 8.717 0.03 1 273 . 27 ASP CA C 54.960 0.3 1 274 . 27 ASP HA H 4.145 0.03 1 275 . 27 ASP CB C 39.646 0.3 1 276 . 27 ASP HB3 H 2.820 0.03 2 277 . 27 ASP HB2 H 2.430 0.03 2 278 . 27 ASP C C 174.714 0.3 1 279 . 28 ILE N N 117.838 0.3 1 280 . 28 ILE H H 8.131 0.03 1 281 . 28 ILE CA C 62.545 0.3 1 282 . 28 ILE HA H 4.008 0.03 1 283 . 28 ILE CB C 39.048 0.3 1 284 . 28 ILE HB H 1.702 0.03 1 285 . 28 ILE CG1 C 29.162 0.3 2 286 . 28 ILE HG13 H 1.452 0.03 1 287 . 28 ILE HG12 H 0.812 0.03 1 288 . 28 ILE CD1 C 15.791 0.3 1 289 . 28 ILE HD1 H 0.934 0.03 1 290 . 28 ILE CG2 C 18.203 0.3 1 291 . 28 ILE HG2 H 0.841 0.03 1 292 . 28 ILE C C 177.229 0.3 1 293 . 29 SER N N 125.524 0.3 1 294 . 29 SER H H 9.140 0.03 1 295 . 29 SER CA C 57.293 0.3 1 296 . 29 SER HA H 4.688 0.03 1 297 . 29 SER CB C 64.512 0.3 1 298 . 29 SER HB3 H 3.583 0.03 2 299 . 29 SER HB2 H 3.511 0.03 2 300 . 29 SER C C 173.048 0.3 1 301 . 30 VAL N N 126.891 0.3 1 302 . 30 VAL H H 8.373 0.03 1 303 . 30 VAL CA C 59.908 0.3 1 304 . 30 VAL HA H 4.690 0.03 1 305 . 30 VAL CB C 36.628 0.3 1 306 . 30 VAL HB H 1.695 0.03 1 307 . 30 VAL CG2 C 22.629 0.3 1 308 . 30 VAL HG2 H 0.720 0.03 2 309 . 30 VAL CG1 C 22.633 0.3 1 310 . 30 VAL HG1 H -0.078 0.03 2 311 . 30 VAL C C 175.420 0.3 1 312 . 31 LYS N N 127.029 0.3 1 313 . 31 LYS H H 8.148 0.03 1 314 . 31 LYS CA C 55.319 0.3 1 315 . 31 LYS HA H 4.507 0.03 1 316 . 31 LYS CB C 35.137 0.3 1 317 . 31 LYS HB3 H 1.600 0.03 2 318 . 31 LYS HB2 H 1.495 0.03 2 319 . 31 LYS CG C 24.791 0.3 1 320 . 31 LYS HG3 H 1.210 0.03 2 321 . 31 LYS HG2 H 1.193 0.03 2 322 . 31 LYS CD C 29.158 0.3 1 323 . 31 LYS HD3 H 1.550 0.03 2 324 . 31 LYS HD2 H 1.551 0.03 2 325 . 31 LYS CE C 42.173 0.3 1 326 . 31 LYS HE3 H 2.831 0.03 2 327 . 31 LYS HE2 H 2.828 0.03 2 328 . 31 LYS C C 173.874 0.3 1 329 . 32 CYS N N 125.723 0.3 1 330 . 32 CYS H H 8.782 0.03 1 331 . 32 CYS CA C 57.696 0.3 1 332 . 32 CYS HA H 5.169 0.03 1 333 . 32 CYS CB C 29.158 0.3 1 334 . 32 CYS HB3 H 3.030 0.03 2 335 . 32 CYS HB2 H 2.500 0.03 2 336 . 32 CYS C C 173.435 0.3 1 337 . 33 GLU N N 124.192 0.3 1 338 . 33 GLU H H 9.028 0.03 1 339 . 33 GLU CA C 53.628 0.3 1 340 . 33 GLU HA H 4.995 0.03 1 341 . 33 GLU CB C 31.067 0.3 1 342 . 33 GLU HB3 H 2.503 0.03 2 343 . 33 GLU HB2 H 1.783 0.03 2 344 . 33 GLU CG C 36.278 0.3 1 345 . 33 GLU HG3 H 2.164 0.03 1 346 . 33 GLU HG2 H 2.164 0.03 1 347 . 34 PRO CA C 64.891 0.3 1 348 . 34 PRO HA H 4.708 0.03 1 349 . 34 PRO CB C 33.012 0.3 1 350 . 34 PRO HB3 H 2.490 0.03 2 351 . 34 PRO HB2 H 2.145 0.03 2 352 . 34 PRO CG C 27.626 0.3 1 353 . 34 PRO HG3 H 2.458 0.03 2 354 . 34 PRO HG2 H 2.145 0.03 2 355 . 34 PRO CD C 51.499 0.3 1 356 . 34 PRO HD3 H 3.850 0.03 2 357 . 34 PRO C C 176.875 0.3 1 358 . 35 GLN N N 115.362 0.3 1 359 . 35 GLN H H 8.983 0.03 1 360 . 35 GLN CA C 57.789 0.3 1 361 . 35 GLN HA H 4.160 0.03 1 362 . 35 GLN CB C 27.056 0.3 1 363 . 35 GLN HB3 H 2.075 0.03 2 364 . 35 GLN HB2 H 1.925 0.03 2 365 . 35 GLN CG C 33.129 0.3 1 366 . 35 GLN HG3 H 2.490 0.03 2 367 . 35 GLN HG2 H 2.121 0.03 2 368 . 35 GLN NE2 N 113.013 0.3 1 369 . 35 GLN HE21 H 7.680 0.03 2 370 . 35 GLN HE22 H 7.381 0.03 2 371 . 35 GLN C C 175.331 0.3 1 372 . 36 GLY N N 107.524 0.3 1 373 . 36 GLY H H 8.574 0.03 1 374 . 36 GLY CA C 45.737 0.3 1 375 . 36 GLY HA3 H 4.410 0.03 2 376 . 36 GLY HA2 H 3.540 0.03 2 377 . 36 GLY C C 172.218 0.3 1 378 . 37 LEU N N 123.000 0.3 1 379 . 37 LEU H H 7.214 0.03 1 380 . 37 LEU CA C 54.535 0.3 1 381 . 37 LEU HA H 5.204 0.03 1 382 . 37 LEU CB C 44.488 0.3 1 383 . 37 LEU HB3 H 1.580 0.03 2 384 . 37 LEU HB2 H 1.412 0.03 2 385 . 37 LEU CG C 27.794 0.3 1 386 . 37 LEU HG H 1.365 0.03 1 387 . 37 LEU CD1 C 25.001 0.3 1 388 . 37 LEU HD1 H 0.720 0.03 2 389 . 37 LEU CD2 C 24.219 0.3 1 390 . 37 LEU HD2 H 0.742 0.03 2 391 . 37 LEU C C 174.364 0.3 1 392 . 38 PHE N N 127.058 0.3 1 393 . 38 PHE H H 8.855 0.03 1 394 . 38 PHE CA C 57.295 0.3 1 395 . 38 PHE HA H 5.158 0.03 1 396 . 38 PHE CB C 43.118 0.3 1 397 . 38 PHE HB3 H 2.920 0.03 2 398 . 38 PHE HB2 H 2.558 0.03 2 399 . 38 PHE HD1 H 6.838 0.03 3 400 . 38 PHE C C 174.805 0.3 1 401 . 39 SER N N 122.667 0.3 1 402 . 39 SER H H 8.537 0.03 1 403 . 39 SER CA C 56.851 0.3 1 404 . 39 SER HA H 4.956 0.03 1 405 . 39 SER CB C 65.304 0.3 1 406 . 39 SER HB3 H 3.615 0.03 2 407 . 39 SER HB2 H 3.569 0.03 2 408 . 39 SER C C 170.917 0.3 1 409 . 40 PHE N N 124.529 0.3 1 410 . 40 PHE H H 8.331 0.03 1 411 . 40 PHE CA C 56.449 0.3 1 412 . 40 PHE HA H 4.748 0.03 1 413 . 40 PHE CB C 44.257 0.3 1 414 . 40 PHE HB3 H 1.962 0.03 2 415 . 40 PHE HB2 H 1.346 0.03 2 416 . 40 PHE C C 173.909 0.3 1 417 . 41 SER N N 123.120 0.3 1 418 . 41 SER H H 7.871 0.03 1 419 . 41 SER CA C 56.916 0.3 1 420 . 41 SER HA H 5.126 0.03 1 421 . 41 SER CB C 65.438 0.3 1 422 . 41 SER HB3 H 3.572 0.03 2 423 . 41 SER HB2 H 3.681 0.03 2 424 . 41 SER C C 171.828 0.3 1 425 . 42 ALA N N 122.818 0.3 1 426 . 42 ALA H H 8.755 0.03 1 427 . 42 ALA CA C 51.875 0.3 1 428 . 42 ALA HA H 4.559 0.03 1 429 . 42 ALA CB C 24.835 0.3 1 430 . 42 ALA HB H 1.200 0.03 1 431 . 42 ALA C C 174.949 0.3 1 432 . 43 LEU N N 119.498 0.3 1 433 . 43 LEU H H 8.763 0.03 1 434 . 43 LEU CA C 53.705 0.3 1 435 . 43 LEU HA H 5.285 0.03 1 436 . 43 LEU CB C 45.121 0.3 1 437 . 43 LEU HB3 H 1.560 0.03 2 438 . 43 LEU HB2 H 1.390 0.03 2 439 . 43 LEU CG C 27.317 0.3 1 440 . 43 LEU HG H 1.618 0.03 1 441 . 43 LEU CD1 C 25.402 0.3 1 442 . 43 LEU HD1 H 0.826 0.03 2 443 . 43 LEU CD2 C 23.848 0.3 1 444 . 43 LEU HD2 H 0.732 0.03 2 445 . 43 LEU C C 177.536 0.3 1 446 . 44 GLY N N 107.551 0.3 1 447 . 44 GLY H H 8.994 0.03 1 448 . 44 GLY CA C 43.815 0.3 1 449 . 44 GLY HA3 H 4.590 0.03 2 450 . 44 GLY HA2 H 3.825 0.03 2 451 . 44 GLY C C 175.107 0.3 1 452 . 45 ALA N N 123.723 0.3 1 453 . 45 ALA H H 8.829 0.03 1 454 . 45 ALA CA C 54.360 0.3 1 455 . 45 ALA HA H 4.170 0.03 1 456 . 45 ALA CB C 19.122 0.3 1 457 . 45 ALA HB H 1.491 0.03 1 458 . 45 ALA C C 179.098 0.3 1 459 . 46 GLN N N 114.830 0.3 1 460 . 46 GLN H H 8.865 0.03 1 461 . 46 GLN CA C 56.056 0.3 1 462 . 46 GLN HA H 4.280 0.03 1 463 . 46 GLN CB C 27.750 0.3 1 464 . 46 GLN HB3 H 2.351 0.03 2 465 . 46 GLN HB2 H 2.200 0.03 2 466 . 46 GLN CG C 34.801 0.3 1 467 . 46 GLN HG3 H 2.362 0.03 2 468 . 46 GLN HG2 H 2.345 0.03 2 469 . 46 GLN NE2 N 112.404 0.3 1 470 . 46 GLN HE21 H 7.611 0.03 2 471 . 46 GLN HE22 H 6.859 0.03 2 472 . 46 GLN C C 176.386 0.3 1 473 . 47 GLY N N 107.007 0.3 1 474 . 47 GLY H H 8.244 0.03 1 475 . 47 GLY CA C 46.177 0.3 1 476 . 47 GLY HA3 H 4.125 0.03 2 477 . 47 GLY HA2 H 3.574 0.03 2 478 . 47 GLY C C 173.732 0.3 1 479 . 48 GLU N N 121.460 0.3 1 480 . 48 GLU H H 7.940 0.03 1 481 . 48 GLU CA C 56.357 0.3 1 482 . 48 GLU HA H 4.120 0.03 1 483 . 48 GLU CB C 30.569 0.3 1 484 . 48 GLU HB3 H 1.877 0.03 2 485 . 48 GLU HB2 H 1.745 0.03 2 486 . 48 GLU CG C 36.560 0.3 1 487 . 48 GLU HG3 H 2.137 0.03 2 488 . 48 GLU HG2 H 1.901 0.03 2 489 . 48 GLU C C 174.453 0.3 1 490 . 49 ARG N N 124.176 0.3 1 491 . 49 ARG H H 8.378 0.03 1 492 . 49 ARG CA C 55.763 0.3 1 493 . 49 ARG HA H 4.848 0.03 1 494 . 49 ARG CB C 31.219 0.3 1 495 . 49 ARG HB3 H 1.751 0.03 2 496 . 49 ARG HB2 H 1.491 0.03 2 497 . 49 ARG CG C 27.528 0.3 1 498 . 49 ARG CD C 42.820 0.3 1 499 . 49 ARG HD3 H 3.074 0.03 2 500 . 49 ARG C C 175.045 0.3 1 501 . 50 PHE N N 125.202 0.3 1 502 . 50 PHE H H 9.258 0.03 1 503 . 50 PHE CA C 56.724 0.3 1 504 . 50 PHE HA H 5.376 0.03 1 505 . 50 PHE CB C 43.352 0.3 1 506 . 50 PHE HB3 H 2.879 0.03 2 507 . 50 PHE HB2 H 2.728 0.03 2 508 . 50 PHE C C 175.041 0.3 1 509 . 51 GLU N N 117.986 0.3 1 510 . 51 GLU H H 8.732 0.03 1 511 . 51 GLU CA C 54.942 0.3 1 512 . 51 GLU HA H 5.607 0.03 1 513 . 51 GLU CB C 35.116 0.3 1 514 . 51 GLU HB3 H 2.060 0.03 2 515 . 51 GLU HB2 H 1.979 0.03 2 516 . 51 GLU CG C 36.282 0.3 1 517 . 51 GLU HG3 H 2.221 0.03 2 518 . 51 GLU HG2 H 2.099 0.03 2 519 . 51 GLU C C 175.360 0.3 1 520 . 52 PHE N N 113.900 0.3 1 521 . 52 PHE H H 8.480 0.03 1 522 . 52 PHE CA C 58.492 0.3 1 523 . 52 PHE HA H 4.863 0.03 1 524 . 52 PHE CB C 40.753 0.3 1 525 . 52 PHE HB3 H 3.357 0.03 2 526 . 52 PHE HB2 H 3.341 0.03 2 527 . 52 PHE HD1 H 6.855 0.03 3 528 . 52 PHE C C 172.675 0.3 1 529 . 53 SER N N 114.536 0.3 1 530 . 53 SER H H 8.569 0.03 1 531 . 53 SER CA C 57.701 0.3 1 532 . 53 SER HA H 5.252 0.03 1 533 . 53 SER CB C 65.030 0.3 1 534 . 53 SER HB3 H 3.714 0.03 2 535 . 53 SER C C 172.778 0.3 1 536 . 54 LEU N N 123.408 0.3 1 537 . 54 LEU H H 9.394 0.03 1 538 . 54 LEU CA C 53.417 0.3 1 539 . 54 LEU HA H 4.879 0.03 1 540 . 54 LEU CB C 45.402 0.3 1 541 . 54 LEU HB3 H 1.930 0.03 2 542 . 54 LEU HB2 H 1.280 0.03 2 543 . 54 LEU CG C 27.330 0.3 1 544 . 54 LEU HG H 0.855 0.03 1 545 . 54 LEU CD1 C 23.476 0.3 1 546 . 54 LEU HD1 H 1.010 0.03 2 547 . 54 LEU CD2 C 23.504 0.3 1 548 . 54 LEU HD2 H 0.737 0.03 2 549 . 54 LEU C C 175.175 0.3 1 550 . 55 GLU N N 123.743 0.3 1 551 . 55 GLU H H 8.494 0.03 1 552 . 55 GLU CA C 55.609 0.3 1 553 . 55 GLU HA H 4.734 0.03 1 554 . 55 GLU CB C 29.579 0.3 1 555 . 55 GLU HB3 H 1.960 0.03 2 556 . 55 GLU HB2 H 1.799 0.03 2 557 . 55 GLU CG C 36.837 0.3 1 558 . 55 GLU HG3 H 2.117 0.03 2 559 . 55 GLU HG2 H 1.981 0.03 2 560 . 55 GLU C C 176.048 0.3 1 561 . 56 LEU N N 125.524 0.3 1 562 . 56 LEU H H 8.982 0.03 1 563 . 56 LEU CA C 55.520 0.3 1 564 . 56 LEU CB C 43.347 0.3 1 565 . 57 TYR N N 119.474 0.3 1 566 . 57 TYR H H 8.113 0.03 1 567 . 57 TYR CA C 61.159 0.3 1 568 . 57 TYR HA H 2.939 0.03 1 569 . 57 TYR CB C 39.674 0.3 1 570 . 57 TYR HB3 H 2.215 0.03 2 571 . 57 TYR HB2 H 1.277 0.03 2 572 . 57 TYR HD1 H 5.934 0.03 3 573 . 57 TYR HE1 H 6.609 0.03 3 574 . 58 GLY CA C 42.569 0.3 1 575 . 58 GLY HA3 H 4.131 0.03 2 576 . 58 GLY HA2 H 2.870 0.03 2 577 . 58 GLY C C 170.013 0.3 1 578 . 59 LYS N N 112.574 0.3 1 579 . 59 LYS H H 7.489 0.03 1 580 . 59 LYS CA C 57.320 0.3 1 581 . 59 LYS HA H 4.108 0.03 1 582 . 59 LYS CB C 33.559 0.3 1 583 . 59 LYS HB3 H 1.499 0.03 2 584 . 59 LYS CG C 24.844 0.3 1 585 . 59 LYS CD C 29.128 0.3 1 586 . 59 LYS HD3 H 2.109 0.03 2 587 . 59 LYS HD2 H 2.036 0.03 2 588 . 59 LYS CE C 41.897 0.3 1 589 . 59 LYS HE3 H 2.882 0.03 2 590 . 59 LYS C C 179.037 0.3 1 591 . 60 ILE N N 114.013 0.3 1 592 . 60 ILE H H 8.504 0.03 1 593 . 60 ILE CA C 60.090 0.3 1 594 . 60 ILE HA H 5.150 0.03 1 595 . 60 ILE CB C 42.923 0.3 1 596 . 60 ILE HB H 2.035 0.03 1 597 . 60 ILE CG1 C 25.447 0.3 2 598 . 60 ILE CD1 C 18.187 0.3 1 599 . 60 ILE HD1 H 0.940 0.03 1 600 . 60 ILE CG2 C 22.705 0.3 1 601 . 60 ILE C C 174.989 0.3 1 602 . 61 MET N N 117.477 0.3 1 603 . 61 MET H H 8.342 0.03 1 604 . 61 MET CA C 54.192 0.3 1 605 . 61 MET HA H 4.815 0.03 1 606 . 61 MET CB C 32.420 0.3 1 607 . 61 MET HB3 H 2.427 0.03 2 608 . 61 MET HB2 H 2.396 0.03 2 609 . 61 MET C C 177.674 0.3 1 610 . 62 THR N N 111.039 0.3 1 611 . 62 THR H H 8.491 0.03 1 612 . 62 THR CA C 64.518 0.3 1 613 . 62 THR HA H 4.224 0.03 1 614 . 62 THR CB C 68.964 0.3 1 615 . 62 THR HB H 4.425 0.03 1 616 . 62 THR CG2 C 22.541 0.3 1 617 . 62 THR HG2 H 1.313 0.03 1 618 . 62 THR C C 175.493 0.3 1 619 . 63 GLU N N 120.705 0.3 1 620 . 63 GLU H H 7.582 0.03 1 621 . 63 GLU CA C 56.300 0.3 1 622 . 63 GLU HA H 4.531 0.03 1 623 . 63 GLU CB C 29.058 0.3 1 624 . 63 GLU HB3 H 1.920 0.03 2 625 . 63 GLU HB2 H 2.050 0.03 2 626 . 63 GLU CG C 36.389 0.3 1 627 . 63 GLU HG3 H 2.193 0.03 2 628 . 63 GLU C C 175.723 0.3 1 629 . 64 TYR N N 124.643 0.3 1 630 . 64 TYR H H 7.802 0.03 1 631 . 64 TYR CA C 55.815 0.3 1 632 . 64 TYR HA H 5.170 0.03 1 633 . 64 TYR CB C 40.938 0.3 1 634 . 64 TYR HB3 H 3.340 0.03 2 635 . 64 TYR HB2 H 3.242 0.03 2 636 . 64 TYR C C 173.864 0.3 1 637 . 65 ARG N N 119.177 0.3 1 638 . 65 ARG H H 8.650 0.03 1 639 . 65 ARG CA C 54.700 0.3 1 640 . 65 ARG HA H 4.919 0.03 1 641 . 65 ARG CB C 33.579 0.3 1 642 . 65 ARG HB3 H 1.920 0.03 2 643 . 65 ARG HB2 H 1.737 0.03 2 644 . 65 ARG CG C 27.621 0.3 1 645 . 65 ARG HG3 H 1.598 0.03 2 646 . 65 ARG HG2 H 1.706 0.03 2 647 . 65 ARG CD C 43.595 0.3 1 648 . 65 ARG HD3 H 3.122 0.03 2 649 . 65 ARG C C 175.286 0.3 1 650 . 66 LYS N N 121.620 0.3 1 651 . 66 LYS H H 9.027 0.03 1 652 . 66 LYS CA C 54.615 0.3 1 653 . 66 LYS HA H 5.439 0.03 1 654 . 66 LYS CB C 37.420 0.3 1 655 . 66 LYS HB3 H 1.910 0.03 2 656 . 66 LYS HB2 H 1.424 0.03 2 657 . 66 LYS CG C 24.290 0.3 1 658 . 66 LYS HG3 H 1.424 0.03 2 659 . 66 LYS HG2 H 1.158 0.03 2 660 . 66 LYS CD C 30.164 0.3 1 661 . 66 LYS HD3 H 1.854 0.03 2 662 . 66 LYS HD2 H 1.556 0.03 2 663 . 66 LYS CE C 42.225 0.3 1 664 . 66 LYS HE3 H 3.072 0.03 2 665 . 66 LYS HE2 H 2.733 0.03 2 666 . 66 LYS C C 173.964 0.3 1 667 . 67 ASN N N 122.210 0.3 1 668 . 67 ASN H H 8.749 0.03 1 669 . 67 ASN CA C 52.876 0.3 1 670 . 67 ASN HA H 4.887 0.03 1 671 . 67 ASN CB C 41.079 0.3 1 672 . 67 ASN HB3 H 2.611 0.03 2 673 . 67 ASN HB2 H 2.310 0.03 2 674 . 67 ASN ND2 N 111.348 0.3 1 675 . 67 ASN HD21 H 6.750 0.03 2 676 . 67 ASN HD22 H 7.367 0.03 2 677 . 67 ASN C C 174.144 0.3 1 678 . 68 VAL N N 127.894 0.3 1 679 . 68 VAL H H 9.030 0.03 1 680 . 68 VAL CA C 63.712 0.3 1 681 . 68 VAL HA H 3.964 0.03 1 682 . 68 VAL CB C 31.975 0.3 1 683 . 68 VAL HB H 2.139 0.03 1 684 . 68 VAL CG2 C 21.563 0.3 1 685 . 68 VAL HG2 H 0.905 0.03 2 686 . 68 VAL CG1 C 21.563 0.3 1 687 . 68 VAL HG1 H 0.998 0.03 2 688 . 68 VAL C C 174.989 0.3 1 689 . 69 GLY N N 117.729 0.3 1 690 . 69 GLY H H 8.373 0.03 1 691 . 69 GLY CA C 43.931 0.3 1 692 . 69 GLY HA3 H 4.663 0.03 2 693 . 69 GLY HA2 H 3.959 0.03 2 694 . 69 GLY C C 173.562 0.3 1 695 . 70 LEU N N 118.895 0.3 1 696 . 70 LEU H H 8.556 0.03 1 697 . 70 LEU CA C 57.713 0.3 1 698 . 70 LEU HA H 4.211 0.03 1 699 . 70 LEU CB C 42.800 0.3 1 700 . 70 LEU HB3 H 1.658 0.03 2 701 . 70 LEU HB2 H 1.536 0.03 2 702 . 70 LEU CG C 27.342 0.3 1 703 . 70 LEU HG H 2.089 0.03 1 704 . 70 LEU CD1 C 25.082 0.3 1 705 . 70 LEU HD1 H 1.342 0.03 2 706 . 70 LEU CD2 C 23.452 0.3 1 707 . 70 LEU HD2 H 0.885 0.03 2 708 . 70 LEU C C 179.462 0.3 1 709 . 71 ARG N N 114.022 0.3 1 710 . 71 ARG H H 8.660 0.03 1 711 . 71 ARG CA C 55.964 0.3 1 712 . 71 ARG HA H 4.335 0.03 1 713 . 71 ARG CB C 32.188 0.3 1 714 . 71 ARG HB3 H 1.846 0.03 2 715 . 71 ARG HB2 H 1.625 0.03 2 716 . 71 ARG CG C 27.500 0.3 1 717 . 71 ARG HG3 H 1.590 0.03 2 718 . 71 ARG HG2 H 1.833 0.03 2 719 . 71 ARG CD C 42.906 0.3 1 720 . 71 ARG HD3 H 3.110 0.03 2 721 . 71 ARG C C 174.716 0.3 1 722 . 72 ASN N N 112.703 0.3 1 723 . 72 ASN H H 7.384 0.03 1 724 . 72 ASN CA C 51.894 0.3 1 725 . 72 ASN HA H 4.497 0.03 1 726 . 72 ASN CB C 41.261 0.3 1 727 . 72 ASN HB3 H 2.743 0.03 2 728 . 72 ASN HB2 H 2.471 0.03 2 729 . 72 ASN ND2 N 112.692 0.3 1 730 . 72 ASN HD21 H 7.294 0.03 2 731 . 72 ASN HD22 H 6.626 0.03 2 732 . 72 ASN C C 172.962 0.3 1 733 . 73 ILE N N 117.728 0.3 1 734 . 73 ILE H H 8.441 0.03 1 735 . 73 ILE CA C 60.816 0.3 1 736 . 73 ILE HA H 4.660 0.03 1 737 . 73 ILE CB C 42.998 0.3 1 738 . 73 ILE HB H 1.600 0.03 1 739 . 73 ILE CG1 C 27.986 0.3 2 740 . 73 ILE HG13 H 1.084 0.03 1 741 . 73 ILE HG12 H 1.819 0.03 1 742 . 73 ILE CD1 C 16.891 0.3 1 743 . 73 ILE HD1 H 0.800 0.03 1 744 . 73 ILE CG2 C 20.357 0.3 1 745 . 73 ILE HG2 H 0.403 0.03 1 746 . 73 ILE C C 174.485 0.3 1 747 . 74 ILE N N 125.232 0.3 1 748 . 74 ILE H H 8.535 0.03 1 749 . 74 ILE CA C 60.608 0.3 1 750 . 74 ILE HA H 4.957 0.03 1 751 . 74 ILE CB C 41.020 0.3 1 752 . 74 ILE HB H 1.571 0.03 1 753 . 74 ILE CG1 C 27.748 0.3 2 754 . 74 ILE HG13 H 1.523 0.03 1 755 . 74 ILE HG12 H 0.855 0.03 1 756 . 74 ILE CD1 C 14.418 0.3 1 757 . 74 ILE HD1 H 0.680 0.03 1 758 . 74 ILE CG2 C 17.066 0.3 1 759 . 74 ILE HG2 H 0.791 0.03 1 760 . 74 ILE C C 175.563 0.3 1 761 . 75 PHE N N 126.127 0.3 1 762 . 75 PHE H H 9.766 0.03 1 763 . 75 PHE CA C 57.176 0.3 1 764 . 75 PHE HA H 5.615 0.03 1 765 . 75 PHE CB C 42.116 0.3 1 766 . 75 PHE HB3 H 3.026 0.03 2 767 . 75 PHE HB2 H 2.822 0.03 2 768 . 75 PHE C C 175.078 0.3 1 769 . 76 SER N N 116.357 0.3 1 770 . 76 SER H H 8.961 0.03 1 771 . 76 SER CA C 56.933 0.3 1 772 . 76 SER HA H 5.035 0.03 1 773 . 76 SER CB C 64.208 0.3 1 774 . 76 SER HB3 H 3.580 0.03 2 775 . 76 SER C C 173.712 0.3 1 776 . 77 ILE N N 129.322 0.3 1 777 . 77 ILE H H 9.099 0.03 1 778 . 77 ILE CA C 59.621 0.3 1 779 . 77 ILE HA H 4.473 0.03 1 780 . 77 ILE CB C 40.956 0.3 1 781 . 77 ILE HB H 1.577 0.03 1 782 . 77 ILE CG1 C 27.748 0.3 2 783 . 77 ILE HG13 H 1.224 0.03 1 784 . 77 ILE HG12 H 0.854 0.03 1 785 . 77 ILE CD1 C 14.461 0.3 1 786 . 77 ILE HD1 H 0.230 0.03 1 787 . 77 ILE CG2 C 18.785 0.3 1 788 . 77 ILE HG2 H 0.789 0.03 1 789 . 77 ILE C C 175.059 0.3 1 790 . 78 GLN N N 128.258 0.3 1 791 . 78 GLN H H 9.956 0.03 1 792 . 78 GLN CA C 55.451 0.3 1 793 . 78 GLN HA H 4.377 0.03 1 794 . 78 GLN CB C 30.165 0.3 1 795 . 78 GLN HB3 H 1.988 0.03 2 796 . 78 GLN HB2 H 2.136 0.03 2 797 . 78 GLN CG C 34.142 0.3 1 798 . 78 GLN HG3 H 2.490 0.03 2 799 . 78 GLN HG2 H 2.375 0.03 2 800 . 78 GLN NE2 N 111.156 0.3 1 801 . 78 GLN HE21 H 7.453 0.03 2 802 . 78 GLN HE22 H 6.849 0.03 2 803 . 78 GLN C C 175.974 0.3 1 804 . 79 LYS N N 124.914 0.3 1 805 . 79 LYS H H 7.934 0.03 1 806 . 79 LYS CA C 57.022 0.3 1 807 . 79 LYS HA H 4.500 0.03 1 808 . 79 LYS CB C 34.972 0.3 1 809 . 79 LYS HB3 H 2.350 0.03 2 810 . 79 LYS HB2 H 1.200 0.03 2 811 . 79 LYS CG C 26.343 0.3 1 812 . 79 LYS HG3 H 0.882 0.03 2 813 . 79 LYS HG2 H 0.623 0.03 2 814 . 79 LYS CD C 31.218 0.3 1 815 . 79 LYS HD3 H 1.325 0.03 2 816 . 79 LYS HD2 H 1.677 0.03 2 817 . 79 LYS CE C 40.941 0.3 1 818 . 79 LYS HE3 H 1.778 0.03 2 819 . 79 LYS HE2 H 0.312 0.03 2 820 . 79 LYS HZ H 2.591 0.03 1 821 . 79 LYS C C 176.579 0.3 1 822 . 80 GLU N N 122.955 0.3 1 823 . 80 GLU H H 8.123 0.03 1 824 . 80 GLU CA C 59.607 0.3 1 825 . 80 GLU HA H 3.953 0.03 1 826 . 80 GLU CB C 30.720 0.3 1 827 . 80 GLU HB3 H 1.610 0.03 2 828 . 80 GLU HB2 H 1.820 0.03 2 829 . 80 GLU CG C 36.688 0.3 1 830 . 80 GLU HG3 H 2.104 0.03 2 831 . 80 GLU HG2 H 1.919 0.03 2 832 . 80 GLU C C 175.676 0.3 1 833 . 81 GLU N N 115.085 0.3 1 834 . 81 GLU H H 8.048 0.03 1 835 . 81 GLU CA C 53.997 0.3 1 836 . 81 GLU HA H 4.567 0.03 1 837 . 81 GLU CB C 32.840 0.3 1 838 . 81 GLU HB3 H 1.951 0.03 2 839 . 81 GLU HB2 H 1.875 0.03 2 840 . 81 GLU CG C 36.410 0.3 1 841 . 81 GLU HG3 H 2.174 0.03 2 842 . 81 GLU HG2 H 2.164 0.03 2 843 . 81 GLU C C 175.173 0.3 1 844 . 82 ARG N N 124.790 0.3 1 845 . 82 ARG H H 8.673 0.03 1 846 . 82 ARG CA C 56.963 0.3 1 847 . 82 ARG CB C 29.658 0.3 1 848 . 82 ARG HB3 H 1.685 0.03 2 849 . 82 ARG CG C 24.416 0.3 1 850 . 82 ARG HG3 H 1.411 0.03 2 851 . 82 ARG CD C 42.500 0.3 1 852 . 82 ARG HD3 H 2.700 0.03 2 853 . 82 ARG HD2 H 2.500 0.03 2 854 . 82 ARG C C 175.744 0.3 1 855 . 83 SER N N 121.158 0.3 1 856 . 83 SER H H 8.204 0.03 1 857 . 83 SER CA C 58.375 0.3 1 858 . 83 SER HA H 4.613 0.03 1 859 . 83 SER CB C 64.827 0.3 1 860 . 83 SER HB3 H 4.012 0.03 2 861 . 83 SER C C 172.944 0.3 1 862 . 84 TRP N N 128.627 0.3 1 863 . 84 TRP H H 9.483 0.03 1 864 . 84 TRP CA C 58.295 0.3 1 865 . 84 TRP HA H 3.910 0.03 1 866 . 84 TRP CB C 29.596 0.3 1 867 . 84 TRP HB3 H 3.173 0.03 2 868 . 84 TRP HB2 H 3.050 0.03 2 869 . 84 TRP HD1 H 6.930 0.03 1 870 . 84 TRP NE1 N 129.419 0.3 1 871 . 84 TRP HE1 H 9.965 0.03 4 872 . 84 TRP HZ2 H 7.288 0.03 4 873 . 84 TRP C C 176.317 0.3 1 874 . 85 TRP N N 130.012 0.3 1 875 . 85 TRP H H 8.884 0.03 1 876 . 85 TRP CA C 55.406 0.3 1 877 . 85 TRP HA H 4.693 0.03 1 878 . 85 TRP CB C 29.548 0.3 1 879 . 85 TRP HB3 H 3.069 0.03 2 880 . 85 TRP HB2 H 2.897 0.03 2 881 . 85 TRP HD1 H 6.999 0.03 1 882 . 85 TRP NE1 N 129.068 0.3 1 883 . 85 TRP HE1 H 10.998 0.03 4 884 . 85 TRP HZ2 H 7.140 0.03 4 885 . 85 TRP C C 177.593 0.3 1 886 . 86 THR N N 114.481 0.3 1 887 . 86 THR H H 7.047 0.03 1 888 . 86 THR CA C 63.855 0.3 1 889 . 86 THR HA H 4.128 0.03 1 890 . 86 THR CB C 68.844 0.3 1 891 . 86 THR HB H 4.147 0.03 1 892 . 86 THR CG2 C 21.998 0.3 1 893 . 86 THR HG2 H 1.283 0.03 1 894 . 86 THR C C 172.438 0.3 1 895 . 87 ARG N N 114.459 0.3 1 896 . 87 ARG H H 6.937 0.03 1 897 . 87 ARG CA C 54.048 0.3 1 898 . 87 ARG HA H 4.517 0.03 1 899 . 87 ARG CB C 30.875 0.3 1 900 . 87 ARG HB3 H 1.784 0.03 2 901 . 87 ARG HB2 H 1.941 0.03 2 902 . 87 ARG CG C 25.453 0.3 1 903 . 87 ARG HG3 H 1.511 0.03 2 904 . 87 ARG HG2 H 1.144 0.03 2 905 . 87 ARG CD C 42.151 0.3 1 906 . 87 ARG HD3 H 2.728 0.03 2 907 . 87 ARG HD2 H 2.437 0.03 2 908 . 87 ARG C C 171.812 0.3 1 909 . 88 LEU N N 117.800 0.3 1 910 . 88 LEU H H 6.980 0.03 1 911 . 88 LEU CA C 57.585 0.3 1 912 . 88 LEU HA H 3.456 0.03 1 913 . 88 LEU CB C 41.104 0.3 1 914 . 88 LEU HB3 H 0.664 0.03 2 915 . 88 LEU HB2 H -1.112 0.03 2 916 . 88 LEU CG C 25.749 0.3 1 917 . 88 LEU HG H 1.064 0.03 1 918 . 88 LEU CD1 C 25.006 0.3 1 919 . 88 LEU HD1 H 0.079 0.03 2 920 . 88 LEU CD2 C 22.018 0.3 1 921 . 88 LEU HD2 H 0.364 0.03 2 922 . 88 LEU C C 176.956 0.3 1 923 . 89 LEU N N 114.214 0.3 1 924 . 89 LEU H H 7.930 0.03 1 925 . 89 LEU CA C 53.452 0.3 1 926 . 89 LEU HA H 4.601 0.03 1 927 . 89 LEU CB C 42.811 0.3 1 928 . 89 LEU HB3 H 1.531 0.03 2 929 . 89 LEU HB2 H 1.476 0.03 2 930 . 89 LEU CG C 27.216 0.3 1 931 . 89 LEU HG H 1.521 0.03 1 932 . 89 LEU CD1 C 25.316 0.3 1 933 . 89 LEU HD1 H 0.874 0.03 2 934 . 89 LEU CD2 C 23.700 0.3 1 935 . 89 LEU HD2 H 0.842 0.03 2 936 . 89 LEU C C 176.479 0.3 1 937 . 90 LYS N N 119.800 0.3 1 938 . 90 LYS H H 7.882 0.03 1 939 . 90 LYS CA C 59.639 0.3 1 940 . 90 LYS HA H 3.660 0.03 1 941 . 90 LYS CB C 32.138 0.3 1 942 . 90 LYS HB3 H 1.608 0.03 2 943 . 90 LYS HB2 H 1.400 0.03 2 944 . 90 LYS CG C 24.145 0.3 1 945 . 90 LYS HG3 H 1.173 0.03 2 946 . 90 LYS CD C 28.863 0.3 1 947 . 90 LYS HD3 H 1.442 0.03 2 948 . 90 LYS HD2 H 1.184 0.03 2 949 . 90 LYS CE C 42.179 0.3 1 950 . 90 LYS HE3 H 2.790 0.03 2 951 . 90 LYS C C 178.912 0.3 1 952 . 91 SER N N 112.714 0.3 1 953 . 91 SER H H 8.333 0.03 1 954 . 91 SER CA C 57.998 0.3 1 955 . 91 SER HA H 4.185 0.03 1 956 . 91 SER CB C 63.818 0.3 1 957 . 91 SER HB3 H 3.937 0.03 2 958 . 91 SER HB2 H 3.593 0.03 2 959 . 91 SER C C 175.133 0.3 1 960 . 92 GLU N N 124.354 0.3 1 961 . 92 GLU H H 8.831 0.03 1 962 . 92 GLU CA C 57.093 0.3 1 963 . 92 GLU HA H 4.031 0.03 1 964 . 92 GLU CB C 30.518 0.3 1 965 . 92 GLU HB3 H 1.920 0.03 2 966 . 92 GLU HB2 H 2.070 0.03 2 967 . 92 GLU CG C 36.495 0.3 1 968 . 92 GLU HG3 H 2.220 0.03 2 969 . 92 GLU C C 176.824 0.3 1 970 . 93 GLU N N 120.253 0.3 1 971 . 93 GLU H H 8.093 0.03 1 972 . 93 GLU CA C 56.380 0.3 1 973 . 93 GLU HA H 4.090 0.03 1 974 . 93 GLU CB C 30.360 0.3 1 975 . 93 GLU HB3 H 1.806 0.03 2 976 . 93 GLU HB2 H 1.973 0.03 2 977 . 93 GLU CG C 36.477 0.3 1 978 . 93 GLU HG3 H 2.227 0.03 2 979 . 93 GLU HG2 H 2.215 0.03 2 980 . 93 GLU C C 175.998 0.3 1 981 . 94 LYS N N 125.081 0.3 1 982 . 94 LYS H H 8.520 0.03 1 983 . 94 LYS CA C 55.251 0.3 1 984 . 94 LYS HA H 4.915 0.03 1 985 . 94 LYS CB C 32.380 0.3 1 986 . 94 LYS HB3 H 1.852 0.03 2 987 . 94 LYS CE C 42.771 0.3 1 988 . 95 PRO CA C 62.664 0.3 1 989 . 95 PRO HA H 4.191 0.03 1 990 . 95 PRO CB C 32.570 0.3 1 991 . 95 PRO HB3 H 2.040 0.03 2 992 . 95 PRO HB2 H 1.880 0.03 2 993 . 95 PRO CG C 27.477 0.3 1 994 . 95 PRO HG3 H 1.922 0.03 2 995 . 95 PRO HG2 H 2.032 0.03 2 996 . 95 PRO CD C 51.147 0.3 1 997 . 95 PRO HD3 H 3.863 0.03 2 998 . 95 PRO HD2 H 3.736 0.03 2 999 . 95 PRO C C 175.803 0.3 1 1000 . 96 ALA N N 125.024 0.3 1 1001 . 96 ALA H H 8.166 0.03 1 1002 . 96 ALA CA C 50.957 0.3 1 1003 . 96 ALA HA H 4.355 0.03 1 1004 . 96 ALA CB C 18.666 0.3 1 1005 . 96 ALA HB H 1.180 0.03 1 1006 . 97 PRO CA C 64.950 0.3 1 1007 . 97 PRO HA H 4.364 0.03 1 1008 . 97 PRO CB C 32.234 0.3 1 1009 . 97 PRO HB3 H 2.378 0.03 2 1010 . 97 PRO HB2 H 2.068 0.03 2 1011 . 97 PRO CG C 27.803 0.3 1 1012 . 97 PRO HG3 H 2.106 0.03 2 1013 . 97 PRO CD C 50.873 0.3 1 1014 . 97 PRO HD3 H 3.614 0.03 2 1015 . 97 PRO HD2 H 3.523 0.03 2 1016 . 97 PRO C C 176.308 0.3 1 1017 . 98 TYR N N 111.917 0.3 1 1018 . 98 TYR H H 6.414 0.03 1 1019 . 98 TYR CA C 56.956 0.3 1 1020 . 98 TYR HA H 4.616 0.03 1 1021 . 98 TYR CB C 36.727 0.3 1 1022 . 98 TYR HB3 H 3.580 0.03 2 1023 . 98 TYR HB2 H 2.668 0.03 2 1024 . 98 TYR HD1 H 7.033 0.03 3 1025 . 98 TYR C C 172.701 0.3 1 1026 . 99 ILE N N 122.403 0.3 1 1027 . 99 ILE H H 7.274 0.03 1 1028 . 99 ILE CA C 60.724 0.3 1 1029 . 99 ILE HA H 4.673 0.03 1 1030 . 99 ILE CB C 37.591 0.3 1 1031 . 99 ILE HB H 1.632 0.03 1 1032 . 99 ILE CG1 C 27.804 0.3 2 1033 . 99 ILE HG13 H 0.652 0.03 1 1034 . 99 ILE HG12 H 0.236 0.03 1 1035 . 99 ILE CD1 C 14.364 0.3 1 1036 . 99 ILE HD1 H 0.568 0.03 1 1037 . 99 ILE CG2 C 17.568 0.3 1 1038 . 99 ILE HG2 H 0.545 0.03 1 1039 . 99 ILE C C 175.601 0.3 1 1040 . 100 LYS N N 127.961 0.3 1 1041 . 100 LYS H H 9.344 0.03 1 1042 . 100 LYS CA C 54.103 0.3 1 1043 . 100 LYS HA H 4.775 0.03 1 1044 . 100 LYS CB C 37.296 0.3 1 1045 . 100 LYS HB3 H 1.971 0.03 2 1046 . 100 LYS HB2 H 1.543 0.03 2 1047 . 100 LYS CG C 25.155 0.3 1 1048 . 100 LYS HG3 H 1.354 0.03 2 1049 . 100 LYS CD C 29.494 0.3 1 1050 . 100 LYS HD3 H 1.595 0.03 2 1051 . 100 LYS HD2 H 1.658 0.03 2 1052 . 100 LYS CE C 42.732 0.3 1 1053 . 100 LYS C C 174.926 0.3 1 1054 . 101 VAL N N 121.007 0.3 1 1055 . 101 VAL H H 8.041 0.03 1 1056 . 101 VAL CA C 63.353 0.3 1 1057 . 101 VAL HA H 3.209 0.03 1 1058 . 101 VAL CB C 32.833 0.3 1 1059 . 101 VAL HB H 0.730 0.03 1 1060 . 101 VAL CG2 C 21.481 0.3 1 1061 . 101 VAL HG2 H 0.115 0.03 2 1062 . 101 VAL CG1 C 19.474 0.3 1 1063 . 101 VAL HG1 H -1.192 0.03 2 1064 . 101 VAL C C 175.396 0.3 1 1065 . 102 ASP N N 123.874 0.3 1 1066 . 102 ASP H H 8.765 0.03 1 1067 . 102 ASP CA C 51.541 0.3 1 1068 . 102 ASP HA H 4.420 0.03 1 1069 . 102 ASP CB C 39.543 0.3 1 1070 . 102 ASP HB3 H 2.715 0.03 2 1071 . 102 ASP HB2 H 1.926 0.03 2 1072 . 102 ASP C C 175.971 0.3 1 1073 . 103 TRP N N 125.988 0.3 1 1074 . 103 TRP H H 7.827 0.03 1 1075 . 103 TRP CA C 59.671 0.3 1 1076 . 103 TRP HA H 4.389 0.03 1 1077 . 103 TRP CB C 29.197 0.3 1 1078 . 103 TRP HB3 H 3.034 0.03 2 1079 . 103 TRP HB2 H 3.410 0.03 2 1080 . 103 TRP HD1 H 7.235 0.03 1 1081 . 103 TRP NE1 N 128.262 0.3 1 1082 . 103 TRP HE1 H 9.824 0.03 4 1083 . 103 TRP HZ2 H 7.235 0.03 4 1084 . 103 TRP C C 177.461 0.3 1 1085 . 104 ASN N N 115.877 0.3 1 1086 . 104 ASN H H 8.152 0.03 1 1087 . 104 ASN CA C 55.805 0.3 1 1088 . 104 ASN HA H 4.620 0.03 1 1089 . 104 ASN CB C 38.819 0.3 1 1090 . 104 ASN HB3 H 2.820 0.03 2 1091 . 104 ASN HB2 H 2.700 0.03 2 1092 . 104 ASN ND2 N 113.941 0.3 1 1093 . 104 ASN HD21 H 7.782 0.03 2 1094 . 104 ASN HD22 H 6.900 0.03 2 1095 . 104 ASN C C 176.122 0.3 1 1096 . 105 LYS N N 115.859 0.3 1 1097 . 105 LYS H H 6.898 0.03 1 1098 . 105 LYS CA C 55.883 0.3 1 1099 . 105 LYS HA H 4.420 0.03 1 1100 . 105 LYS CB C 35.762 0.3 1 1101 . 105 LYS HB3 H 1.475 0.03 2 1102 . 105 LYS HB2 H 1.128 0.03 2 1103 . 105 LYS CG C 25.205 0.3 1 1104 . 105 LYS HG3 H 0.897 0.03 2 1105 . 105 LYS HG2 H 1.110 0.03 2 1106 . 105 LYS CD C 28.284 0.3 1 1107 . 105 LYS HD3 H 1.196 0.03 2 1108 . 105 LYS HD2 H 0.771 0.03 2 1109 . 105 LYS CE C 41.464 0.3 1 1110 . 105 LYS HE3 H 2.337 0.03 2 1111 . 105 LYS C C 175.590 0.3 1 1112 . 106 TRP N N 122.336 0.3 1 1113 . 106 TRP H H 7.955 0.03 1 1114 . 106 TRP CA C 59.034 0.3 1 1115 . 106 TRP HA H 4.138 0.03 1 1116 . 106 TRP CB C 29.638 0.3 1 1117 . 106 TRP HB3 H 3.415 0.03 2 1118 . 106 TRP HB2 H 3.022 0.03 2 1119 . 106 TRP HD1 H 7.097 0.03 1 1120 . 106 TRP NE1 N 130.610 0.3 1 1121 . 106 TRP HE1 H 10.245 0.03 4 1122 . 106 TRP HZ2 H 7.597 0.03 4 1123 . 106 TRP C C 175.854 0.3 1 1124 . 107 CYS N N 124.185 0.3 1 1125 . 107 CYS H H 7.581 0.03 1 1126 . 107 CYS CA C 56.212 0.3 1 1127 . 107 CYS HA H 4.720 0.03 1 1128 . 107 CYS CB C 31.604 0.3 1 1129 . 107 CYS HB3 H 3.040 0.03 2 1130 . 107 CYS HB2 H 2.652 0.03 2 1131 . 107 CYS C C 171.295 0.3 1 1132 . 108 ASP N N 119.347 0.3 1 1133 . 108 ASP H H 8.585 0.03 1 1134 . 108 ASP CA C 53.944 0.3 1 1135 . 108 ASP HA H 4.790 0.03 1 1136 . 108 ASP CB C 42.255 0.3 1 1137 . 108 ASP HB3 H 2.432 0.03 2 1138 . 108 ASP HB2 H 2.740 0.03 2 1139 . 108 ASP C C 177.021 0.3 1 1140 . 109 GLU N N 122.063 0.3 1 1141 . 109 GLU H H 7.982 0.03 1 1142 . 109 GLU CA C 58.527 0.3 1 1143 . 109 GLU HA H 4.141 0.03 1 1144 . 109 GLU CB C 29.294 0.3 1 1145 . 109 GLU HB3 H 1.960 0.03 2 1146 . 109 GLU HB2 H 1.621 0.03 2 1147 . 109 GLU CG C 36.495 0.3 1 1148 . 109 GLU HG3 H 2.216 0.03 2 1149 . 109 GLU C C 177.447 0.3 1 1150 . 110 ASP N N 115.122 0.3 1 1151 . 110 ASP H H 8.048 0.03 1 1152 . 110 ASP CA C 54.843 0.3 1 1153 . 110 ASP HA H 4.274 0.03 1 1154 . 110 ASP CB C 40.198 0.3 1 1155 . 110 ASP HB3 H 2.557 0.03 2 1156 . 110 ASP HB2 H 2.547 0.03 2 1157 . 110 ASP C C 176.334 0.3 1 1158 . 111 GLU N N 118.522 0.3 1 1159 . 111 GLU H H 7.528 0.03 1 1160 . 111 GLU CA C 56.337 0.3 1 1161 . 111 GLU HA H 4.240 0.03 1 1162 . 111 GLU CB C 31.192 0.3 1 1163 . 111 GLU HB3 H 2.118 0.03 2 1164 . 111 GLU HB2 H 1.952 0.03 2 1165 . 111 GLU CG C 36.838 0.3 1 1166 . 111 GLU HG2 H 2.187 0.03 2 1167 . 111 GLU C C 176.948 0.3 1 1168 . 112 GLU N N 121.912 0.3 1 1169 . 112 GLU H H 7.596 0.03 1 1170 . 112 GLU CA C 58.179 0.3 1 1171 . 112 GLU HA H 4.142 0.03 1 1172 . 112 GLU CB C 30.142 0.3 1 1173 . 112 GLU HB3 H 1.959 0.03 2 1174 . 112 GLU HB2 H 2.149 0.03 2 1175 . 112 GLU CG C 36.468 0.3 1 1176 . 112 GLU C C 176.824 0.3 1 1177 . 113 VAL N N 120.337 0.3 1 1178 . 113 VAL H H 8.079 0.03 1 1179 . 113 VAL CA C 62.904 0.3 1 1180 . 113 VAL HA H 4.043 0.03 1 1181 . 113 VAL CB C 32.662 0.3 1 1182 . 113 VAL HB H 2.050 0.03 1 1183 . 113 VAL CG2 C 21.013 0.3 1 1184 . 113 VAL HG2 H 0.872 0.03 2 1185 . 113 VAL CG1 C 21.013 0.3 1 1186 . 113 VAL HG1 H 0.864 0.03 2 1187 . 113 VAL C C 175.946 0.3 1 1188 . 114 ASN N N 121.158 0.3 1 1189 . 114 ASN H H 8.233 0.03 1 1190 . 114 ASN CA C 53.607 0.3 1 1191 . 114 ASN HA H 4.770 0.03 1 1192 . 114 ASN CB C 39.360 0.3 1 1193 . 114 ASN HB3 H 2.860 0.03 2 1194 . 114 ASN HB2 H 2.720 0.03 2 1195 . 114 ASN ND2 N 113.109 0.3 1 1196 . 114 ASN HD21 H 7.595 0.03 2 1197 . 114 ASN HD22 H 6.905 0.03 2 1198 . 114 ASN C C 175.317 0.3 1 1199 . 115 SER N N 116.468 0.3 1 1200 . 115 SER H H 8.153 0.03 1 1201 . 115 SER CA C 58.847 0.3 1 1202 . 115 SER HA H 4.412 0.03 1 1203 . 115 SER CB C 63.984 0.3 1 1204 . 115 SER HB3 H 3.883 0.03 2 1205 . 115 SER HB2 H 3.836 0.03 2 1206 . 115 SER C C 173.605 0.3 1 1207 . 116 GLU N N 122.818 0.3 1 1208 . 116 GLU H H 8.537 0.03 1 1209 . 116 GLU CA C 57.239 0.3 1 1210 . 116 GLU HA H 4.315 0.03 1 1211 . 116 GLU CB C 30.347 0.3 1 1212 . 116 GLU HB3 H 2.054 0.03 2 1213 . 116 GLU HB2 H 1.936 0.03 2 1214 . 116 GLU CG C 36.544 0.3 1 1215 . 116 GLU HG3 H 2.254 0.03 2 1216 . 116 GLU C C 176.897 0.3 1 1217 . 117 THR N N 114.407 0.3 1 1218 . 117 THR H H 8.091 0.03 1 1219 . 117 THR CA C 62.111 0.3 1 1220 . 117 THR HA H 4.280 0.03 1 1221 . 117 THR CB C 70.031 0.3 1 1222 . 117 THR HB H 4.170 0.03 1 1223 . 117 THR CG2 C 21.881 0.3 1 1224 . 117 THR HG2 H 1.152 0.03 1 1225 . 117 THR C C 174.363 0.3 1 1226 . 118 ALA N N 126.672 0.3 1 1227 . 118 ALA H H 8.248 0.03 1 1228 . 118 ALA CA C 52.841 0.3 1 1229 . 118 ALA HA H 4.320 0.03 1 1230 . 118 ALA CB C 19.530 0.3 1 1231 . 118 ALA HB H 1.354 0.03 1 1232 . 118 ALA C C 177.748 0.3 1 1233 . 119 SER N N 115.313 0.3 1 1234 . 119 SER H H 8.294 0.03 1 1235 . 119 SER CA C 58.636 0.3 1 1236 . 119 SER HA H 4.383 0.03 1 1237 . 119 SER CB C 63.986 0.3 1 1238 . 119 SER HB3 H 3.832 0.03 2 1239 . 119 SER HB2 H 3.796 0.03 2 1240 . 119 SER C C 174.575 0.3 1 1241 . 120 ASP N N 122.365 0.3 1 1242 . 120 ASP H H 8.338 0.03 1 1243 . 120 ASP CA C 54.703 0.3 1 1244 . 120 ASP HA H 4.564 0.03 1 1245 . 120 ASP CB C 41.294 0.3 1 1246 . 120 ASP HB3 H 2.687 0.03 2 1247 . 120 ASP HB2 H 2.607 0.03 2 1248 . 120 ASP C C 175.651 0.3 1 1249 . 121 ASP N N 121.415 0.3 1 1250 . 121 ASP H H 8.285 0.03 1 1251 . 121 ASP CA C 55.079 0.3 1 1252 . 121 ASP HA H 4.287 0.03 1 1253 . 121 ASP CB C 41.401 0.3 1 1254 . 121 ASP HB3 H 2.688 0.03 2 1255 . 121 ASP HB2 H 2.612 0.03 2 1256 . 121 ASP C C 176.971 0.3 1 1257 . 122 GLU N N 121.159 0.3 1 1258 . 122 GLU H H 8.387 0.03 1 1259 . 122 GLU CA C 57.588 0.3 1 1260 . 122 GLU HA H 4.150 0.03 1 1261 . 122 GLU CB C 30.011 0.3 1 1262 . 122 GLU HB3 H 2.064 0.03 2 1263 . 122 GLU HB2 H 1.933 0.03 2 1264 . 122 GLU CG C 36.556 0.3 1 1265 . 122 GLU HG3 H 2.222 0.03 2 1266 . 122 GLU C C 176.347 0.3 1 1267 . 123 SER N N 116.178 0.3 1 1268 . 123 SER H H 8.238 0.03 1 1269 . 123 SER CA C 59.781 0.3 1 1270 . 123 SER HA H 4.248 0.03 1 1271 . 123 SER CB C 63.540 0.3 1 1272 . 123 SER HB3 H 3.837 0.03 2 1273 . 123 SER C C 174.770 0.3 1 1274 . 124 ALA N N 124.176 0.3 1 1275 . 124 ALA H H 7.971 0.03 1 1276 . 124 ALA CA C 53.118 0.3 1 1277 . 124 ALA HA H 4.140 0.03 1 1278 . 124 ALA CB C 19.131 0.3 1 1279 . 124 ALA HB H 1.143 0.03 1 1280 . 124 ALA C C 177.541 0.3 1 1281 . 125 PHE N N 117.631 0.3 1 1282 . 125 PHE H H 7.878 0.03 1 1283 . 125 PHE CA C 57.786 0.3 1 1284 . 125 PHE HA H 4.531 0.03 1 1285 . 125 PHE CB C 39.586 0.3 1 1286 . 125 PHE HB3 H 3.083 0.03 2 1287 . 125 PHE HB2 H 2.964 0.03 2 1288 . 125 PHE HD1 H 7.125 0.03 3 1289 . 125 PHE C C 175.730 0.3 1 1290 . 126 VAL N N 120.168 0.3 1 1291 . 126 VAL H H 7.822 0.03 1 1292 . 126 VAL CA C 62.361 0.3 1 1293 . 126 VAL HA H 4.034 0.03 1 1294 . 126 VAL CB C 33.223 0.3 1 1295 . 126 VAL HB H 1.983 0.03 1 1296 . 126 VAL CG2 C 21.060 0.3 1 1297 . 126 VAL HG2 H 0.870 0.03 2 1298 . 126 VAL CG1 C 20.842 0.3 1 1299 . 126 VAL HG1 H 0.862 0.03 2 1300 . 126 VAL C C 175.541 0.3 1 1301 . 127 ASN N N 122.063 0.3 1 1302 . 127 ASN H H 8.420 0.03 1 1303 . 127 ASN CA C 53.508 0.3 1 1304 . 127 ASN HA H 4.658 0.03 1 1305 . 127 ASN CB C 39.166 0.3 1 1306 . 127 ASN HB3 H 2.821 0.03 2 1307 . 127 ASN HB2 H 2.698 0.03 2 1308 . 127 ASN ND2 N 112.995 0.3 1 1309 . 127 ASN HD21 H 7.591 0.03 2 1310 . 127 ASN HD22 H 6.923 0.03 2 1311 . 127 ASN C C 174.034 0.3 1 1312 . 128 GLN N N 121.460 0.3 1 1313 . 128 GLN H H 8.365 0.03 1 1314 . 128 GLN CA C 56.295 0.3 1 1315 . 128 GLN HA H 4.289 0.03 1 1316 . 128 GLN CB C 29.828 0.3 1 1317 . 128 GLN HB3 H 1.918 0.03 2 1318 . 128 GLN HB2 H 2.063 0.03 2 1319 . 128 GLN CG C 33.929 0.3 1 1320 . 128 GLN HG2 H 2.301 0.03 2 1321 . 128 GLN NE2 N 112.300 0.3 1 1322 . 128 GLN HE21 H 6.797 0.03 2 1323 . 128 GLN HE22 H 7.487 0.03 2 1324 . 128 GLN C C 175.651 0.3 1 1325 . 129 ASP N N 121.415 0.3 1 1326 . 129 ASP H H 8.414 0.03 1 1327 . 129 ASP CA C 54.845 0.3 1 1328 . 129 ASP HA H 4.632 0.03 1 1329 . 129 ASP CB C 41.535 0.3 1 1330 . 129 ASP HB3 H 2.722 0.03 2 1331 . 129 ASP HB2 H 2.612 0.03 2 1332 . 129 ASP C C 177.346 0.3 1 1333 . 130 SER N N 116.028 0.3 1 1334 . 130 SER H H 8.225 0.03 1 1335 . 130 SER CA C 58.789 0.3 1 1336 . 130 SER HA H 4.409 0.03 1 1337 . 130 SER CB C 64.077 0.3 1 1338 . 130 SER HB3 H 3.855 0.03 2 1339 . 130 SER HB2 H 3.805 0.03 2 1340 . 130 SER C C 174.593 0.3 1 1341 . 131 GLU N N 122.516 0.3 1 1342 . 131 GLU H H 8.451 0.03 1 1343 . 131 GLU CA C 56.780 0.3 1 1344 . 131 GLU HA H 4.310 0.03 1 1345 . 131 GLU CB C 30.562 0.3 1 1346 . 131 GLU HB3 H 2.060 0.03 2 1347 . 131 GLU HB2 H 1.931 0.03 2 1348 . 131 GLU CG C 36.524 0.3 1 1349 . 131 GLU HG3 H 2.227 0.03 2 1350 . 131 GLU C C 176.457 0.3 1 1351 . 132 SER N N 116.631 0.3 1 1352 . 132 SER H H 8.314 0.03 1 1353 . 132 SER CA C 58.337 0.3 1 1354 . 132 SER HA H 4.497 0.03 1 1355 . 132 SER CB C 64.223 0.3 1 1356 . 132 SER HB3 H 3.845 0.03 1 1357 . 132 SER HB2 H 3.845 0.03 1 1358 . 132 SER C C 174.444 0.3 1 1359 . 133 SER N N 118.141 0.3 1 1360 . 133 SER H H 8.437 0.03 1 1361 . 133 SER CA C 58.337 0.3 1 1362 . 133 SER HA H 4.504 0.03 1 1363 . 133 SER CB C 64.223 0.3 1 1364 . 133 SER HB3 H 3.850 0.03 1 1365 . 133 SER HB2 H 3.850 0.03 1 1366 . 133 SER C C 174.338 0.3 1 1367 . 134 ASP N N 122.709 0.3 1 1368 . 134 ASP H H 8.407 0.03 1 1369 . 134 ASP CA C 54.785 0.3 1 1370 . 134 ASP HA H 4.617 0.03 1 1371 . 134 ASP CB C 41.495 0.3 1 1372 . 134 ASP HB3 H 2.594 0.03 2 1373 . 134 ASP HB2 H 2.677 0.03 2 1374 . 134 ASP C C 176.042 0.3 1 1375 . 135 ASP N N 120.554 0.3 1 1376 . 135 ASP H H 8.235 0.03 1 1377 . 135 ASP CA C 54.780 0.3 1 1378 . 135 ASP HA H 4.577 0.03 1 1379 . 135 ASP CB C 41.456 0.3 1 1380 . 135 ASP HB3 H 2.680 0.03 2 1381 . 135 ASP HB2 H 2.600 0.03 2 1382 . 135 ASP C C 176.159 0.3 1 1383 . 136 ASP N N 120.554 0.3 1 1384 . 136 ASP H H 8.209 0.03 1 1385 . 136 ASP CA C 54.949 0.3 1 1386 . 136 ASP HA H 4.505 0.03 1 1387 . 136 ASP CB C 41.347 0.3 1 1388 . 136 ASP HB3 H 2.690 0.03 2 1389 . 136 ASP HB2 H 2.600 0.03 2 1390 . 136 ASP C C 177.146 0.3 1 1391 . 137 GLY N N 108.884 0.3 1 1392 . 137 GLY H H 8.394 0.03 1 1393 . 137 GLY CA C 46.094 0.3 1 1394 . 137 GLY HA3 H 3.884 0.03 2 1395 . 137 GLY HA2 H 3.880 0.03 2 1396 . 137 GLY C C 174.706 0.3 1 1397 . 138 LEU N N 121.158 0.3 1 1398 . 138 LEU H H 7.982 0.03 1 1399 . 138 LEU CA C 55.611 0.3 1 1400 . 138 LEU HA H 4.245 0.03 1 1401 . 138 LEU CB C 42.248 0.3 1 1402 . 138 LEU HB3 H 1.460 0.03 2 1403 . 138 LEU HB2 H 1.364 0.03 2 1404 . 138 LEU CG C 27.163 0.3 1 1405 . 138 LEU HG H 1.524 0.03 1 1406 . 138 LEU CD1 C 25.038 0.3 1 1407 . 138 LEU HD1 H 0.815 0.03 2 1408 . 138 LEU CD2 C 23.804 0.3 1 1409 . 138 LEU HD2 H 0.850 0.03 2 1410 . 138 LEU C C 177.353 0.3 1 1411 . 139 LEU N N 121.309 0.3 1 1412 . 139 LEU H H 8.007 0.03 1 1413 . 139 LEU CA C 55.472 0.3 1 1414 . 139 LEU HA H 4.222 0.03 1 1415 . 139 LEU CB C 42.849 0.3 1 1416 . 139 LEU HB3 H 1.499 0.03 2 1417 . 139 LEU HB2 H 1.368 0.03 2 1418 . 139 LEU HG H 1.518 0.03 1 1419 . 139 LEU HD2 H 0.840 0.03 2 1420 . 139 LEU C C 176.651 0.3 1 1421 . 140 TYR N N 120.554 0.3 1 1422 . 140 TYR H H 8.016 0.03 1 1423 . 140 TYR CA C 57.476 0.3 1 1424 . 140 TYR HA H 4.567 0.03 1 1425 . 140 TYR CB C 38.845 0.3 1 1426 . 140 TYR HB3 H 2.987 0.03 2 1427 . 140 TYR HB2 H 2.868 0.03 2 1428 . 140 TYR HD1 H 7.074 0.03 3 1429 . 140 TYR C C 174.992 0.3 1 1430 . 141 LEU N N 125.685 0.3 1 1431 . 141 LEU H H 7.966 0.03 1 1432 . 141 LEU CA C 53.304 0.3 1 1433 . 141 LEU HA H 4.518 0.03 1 1434 . 141 LEU CB C 42.090 0.3 1 1435 . 141 LEU HB3 H 1.527 0.03 2 1436 . 141 LEU HB2 H 1.466 0.03 2 1437 . 141 LEU CG C 26.897 0.3 1 1438 . 141 LEU HG H 1.518 0.03 1 1439 . 141 LEU CD1 C 25.536 0.3 1 1440 . 141 LEU HD1 H 0.872 0.03 2 1441 . 141 LEU CD2 C 23.737 0.3 1 1442 . 141 LEU HD2 H 0.842 0.03 2 1443 . 142 PRO CA C 63.658 0.3 1 1444 . 142 PRO HA H 4.279 0.03 1 1445 . 142 PRO CB C 32.254 0.3 1 1446 . 142 PRO HB3 H 2.234 0.03 2 1447 . 142 PRO HB2 H 1.822 0.03 2 1448 . 142 PRO CG C 27.509 0.3 1 1449 . 142 PRO HG3 H 1.927 0.03 1 1450 . 142 PRO HG2 H 1.927 0.03 1 1451 . 142 PRO CD C 50.653 0.3 1 1452 . 142 PRO HD3 H 4.272 0.03 2 1453 . 142 PRO HD2 H 3.542 0.03 2 1454 . 142 PRO C C 176.844 0.3 1 1455 . 143 ASP N N 119.045 0.3 1 1456 . 143 ASP H H 8.262 0.03 1 1457 . 143 ASP CA C 54.902 0.3 1 1458 . 143 ASP HA H 4.509 0.03 1 1459 . 143 ASP CB C 41.020 0.3 1 1460 . 143 ASP HB3 H 2.689 0.03 2 1461 . 143 ASP HB2 H 2.600 0.03 2 1462 . 143 ASP C C 176.922 0.3 1 1463 . 144 LEU N N 122.516 0.3 1 1464 . 144 LEU H H 8.119 0.03 1 1465 . 144 LEU CA C 56.316 0.3 1 1466 . 144 LEU HA H 4.195 0.03 1 1467 . 144 LEU CB C 42.271 0.3 1 1468 . 144 LEU HB3 H 1.653 0.03 2 1469 . 144 LEU HB2 H 1.567 0.03 2 1470 . 144 LEU CG C 25.196 0.3 1 1471 . 144 LEU CD1 C 25.190 0.3 1 1472 . 144 LEU HD1 H 0.884 0.03 2 1473 . 144 LEU CD2 C 23.579 0.3 1 1474 . 144 LEU HD2 H 0.820 0.03 2 1475 . 144 LEU C C 178.108 0.3 1 1476 . 145 GLU N N 119.951 0.3 1 1477 . 145 GLU H H 8.210 0.03 1 1478 . 145 GLU CA C 57.514 0.3 1 1479 . 145 GLU HA H 4.143 0.03 1 1480 . 145 GLU CB C 30.083 0.3 1 1481 . 145 GLU HB3 H 2.045 0.03 2 1482 . 145 GLU HB2 H 1.940 0.03 2 1483 . 145 GLU CG C 36.462 0.3 1 1484 . 145 GLU HG3 H 2.220 0.03 2 1485 . 145 GLU C C 177.230 0.3 1 1486 . 146 LYS N N 120.404 0.3 1 1487 . 146 LYS H H 7.938 0.03 1 1488 . 146 LYS CA C 57.079 0.3 1 1489 . 146 LYS HA H 4.174 0.03 1 1490 . 146 LYS CB C 32.996 0.3 1 1491 . 146 LYS HB3 H 1.794 0.03 2 1492 . 146 LYS HB2 H 1.747 0.03 2 1493 . 146 LYS CG C 25.062 0.3 1 1494 . 146 LYS HG3 H 1.392 0.03 2 1495 . 146 LYS CD C 29.299 0.3 1 1496 . 146 LYS HD3 H 1.760 0.03 2 1497 . 146 LYS HD2 H 1.635 0.03 2 1498 . 146 LYS CE C 42.366 0.3 1 1499 . 146 LYS HE3 H 2.975 0.03 2 1500 . 146 LYS C C 176.776 0.3 1 1501 . 147 ALA N N 123.421 0.3 1 1502 . 147 ALA H H 8.041 0.03 1 1503 . 147 ALA CA C 52.949 0.3 1 1504 . 147 ALA HA H 4.230 0.03 1 1505 . 147 ALA CB C 19.296 0.3 1 1506 . 147 ALA HB H 1.373 0.03 1 1507 . 147 ALA C C 177.801 0.3 1 1508 . 148 ARG N N 119.347 0.3 1 1509 . 148 ARG H H 8.059 0.03 1 1510 . 148 ARG CA C 56.455 0.3 1 1511 . 148 ARG HA H 4.272 0.03 1 1512 . 148 ARG CB C 31.095 0.3 1 1513 . 148 ARG HB3 H 1.816 0.03 2 1514 . 148 ARG HB2 H 1.750 0.03 2 1515 . 148 ARG CG C 27.339 0.3 1 1516 . 148 ARG HG2 H 1.603 0.03 2 1517 . 148 ARG CD C 43.607 0.3 1 1518 . 148 ARG HD3 H 3.154 0.03 2 1519 . 148 ARG C C 176.113 0.3 1 1520 . 149 ASN N N 119.649 0.3 1 1521 . 149 ASN H H 8.287 0.03 1 1522 . 149 ASN CA C 53.578 0.3 1 1523 . 149 ASN HA H 4.679 0.03 1 1524 . 149 ASN CB C 39.168 0.3 1 1525 . 149 ASN HB3 H 2.819 0.03 2 1526 . 149 ASN HB2 H 2.710 0.03 2 1527 . 149 ASN ND2 N 113.050 0.3 1 1528 . 149 ASN HD21 H 7.592 0.03 2 1529 . 149 ASN HD22 H 6.908 0.03 2 1530 . 149 ASN C C 174.034 0.3 1 1531 . 150 LYS N N 126.054 0.3 1 1532 . 150 LYS H H 7.823 0.03 1 1533 . 150 LYS CA C 57.941 0.3 1 1534 . 150 LYS HA H 4.113 0.03 1 1535 . 150 LYS CB C 33.898 0.3 1 1536 . 150 LYS HB3 H 1.670 0.03 2 1537 . 150 LYS HB2 H 1.775 0.03 2 1538 . 150 LYS CG C 29.351 0.3 1 1539 . 150 LYS HG3 H 1.670 0.03 2 1540 . 150 LYS HG2 H 1.775 0.03 2 1541 . 150 LYS CD C 24.749 0.3 1 1542 . 150 LYS HD3 H 1.342 0.03 2 1543 . 150 LYS CE C 42.397 0.3 1 stop_ save_