data_16442 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of At3g03773.1 protein from Arabidopsis thaliana ; _BMRB_accession_number 16442 _BMRB_flat_file_name bmr16442.str _Entry_type original _Submission_date 2009-08-05 _Accession_date 2009-08-05 _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 Sahu Sarata C. . 2 Singh Shanteri . . 3 Tonelli Marco . . 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" 914 "13C chemical shifts" 671 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-03 original author . stop_ _Original_release_date 2010-09-03 save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of At3g03773.1 protein from Arabidopsis thaliana' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sahu Sarata C. . 2 Singh Shanteri . . 3 Tonelli Marco . . 4 Markley John L. . stop_ _Journal_abbreviation Structure _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name At3g03773.1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label At3g03773.1 $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At3g03773.1 _Molecular_mass 17342.326 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; SSRNPEVLWAQRSDKVYLTV ALPDAKDISVKCEPQGLFSF SALGAQGERFEFSLELYGKI MTEYRKNVGLRNIIFSIQKE ERSWWTRLLKSEEKPAPYIK VDWNKWCDEDEEVNSETASD DESAFVNQDSESSDDDGLLY LPDLEKARNK ; loop_ _Residue_seq_code _Residue_label 1 SER 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 2015-07-08 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 2KMW "Solution Structure Of At3g03773.1 Protein From Arabidopsis Thaliana" 100.00 150 100.00 100.00 1.70e-103 GB AAT41786 "At3g03773 [Arabidopsis thaliana]" 99.33 150 100.00 100.00 4.17e-103 GB AAT68743 "hypothetical protein At3g03773 [Arabidopsis thaliana]" 99.33 150 100.00 100.00 4.17e-103 GB AAT68744 "hypothetical protein At3g03773 [Arabidopsis thaliana]" 77.33 117 97.41 99.14 1.26e-76 GB AAT70471 "At3g03773 [Arabidopsis thaliana]" 99.33 150 100.00 100.00 4.17e-103 GB AAX55169 "hypothetical protein At3g03773 [Arabidopsis thaliana]" 99.33 150 100.00 100.00 4.17e-103 REF NP_001154589 "p23 co-chaperone protein [Arabidopsis thaliana]" 98.67 204 100.00 100.00 5.69e-102 REF NP_683525 "p23 co-chaperone protein [Arabidopsis thaliana]" 99.33 150 100.00 100.00 4.17e-103 SP Q6ID70 "RecName: Full=Uncharacterized protein At3g03773" 99.33 150 100.00 100.00 4.17e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity '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 $entity 'recombinant technology' . Escherichia coli . pVP16 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-13C; U-15N]' H2O 93 % 'natural abundance' H2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 0.001 M pH 7.0 0.2 pH pressure 1 . atm temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name At3g03773.1 _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 1 1 SER H H 8.290 0.02 1 2 1 1 SER HA H 4.510 0.02 1 3 1 1 SER HB2 H 3.880 0.02 2 4 1 1 SER HB3 H 3.870 0.02 2 5 1 1 SER CA C 58.570 0.2 1 6 1 1 SER CB C 63.800 0.2 1 7 2 2 SER H H 8.405 0.02 1 8 2 2 SER HA H 4.070 0.02 1 9 2 2 SER HB3 H 3.765 0.02 2 10 2 2 SER CA C 58.300 0.2 1 11 2 2 SER CB C 64.450 0.2 1 12 2 2 SER C C 173.450 0.2 1 13 3 3 ARG H H 8.440 0.02 1 14 3 3 ARG HA H 4.400 0.02 1 15 3 3 ARG HB2 H 1.316 0.02 2 16 3 3 ARG HB3 H 1.600 0.02 2 17 3 3 ARG HD2 H 2.920 0.02 2 18 3 3 ARG HD3 H 2.980 0.02 2 19 3 3 ARG HG2 H 1.410 0.02 2 20 3 3 ARG HG3 H 1.410 0.02 2 21 3 3 ARG CA C 55.460 0.2 1 22 3 3 ARG CB C 32.350 0.2 1 23 3 3 ARG CD C 43.700 0.2 1 24 3 3 ARG CG C 27.070 0.2 1 25 3 3 ARG C C 175.220 0.2 1 26 3 3 ARG N N 121.910 0.2 1 27 4 4 ASN H H 8.540 0.02 1 28 4 4 ASN HA H 5.431 0.02 1 29 4 4 ASN HB2 H 1.628 0.02 2 30 4 4 ASN HB3 H 1.943 0.02 2 31 4 4 ASN HD21 H 7.630 0.02 2 32 4 4 ASN HD22 H 6.970 0.02 2 33 4 4 ASN CA C 50.790 0.2 1 34 4 4 ASN CB C 39.320 0.2 1 35 4 4 ASN N N 119.640 0.2 1 36 5 5 PRO HA H 4.697 0.02 1 37 5 5 PRO HB2 H 1.724 0.02 2 38 5 5 PRO HB3 H 1.857 0.02 2 39 5 5 PRO HD2 H 3.567 0.02 2 40 5 5 PRO HD3 H 4.013 0.02 2 41 5 5 PRO HG3 H 1.745 0.02 2 42 5 5 PRO CA C 61.950 0.2 1 43 5 5 PRO CB C 31.570 0.2 1 44 5 5 PRO CD C 50.140 0.2 1 45 5 5 PRO CG C 26.850 0.2 1 46 5 5 PRO C C 172.920 0.2 1 47 6 6 GLU H H 8.140 0.02 1 48 6 6 GLU HA H 4.652 0.02 1 49 6 6 GLU HB2 H 1.960 0.02 2 50 6 6 GLU HB3 H 1.984 0.02 2 51 6 6 GLU HG2 H 2.162 0.02 2 52 6 6 GLU HG3 H 2.330 0.02 2 53 6 6 GLU CA C 57.530 0.2 1 54 6 6 GLU CB C 31.040 0.2 1 55 6 6 GLU CG C 37.810 0.2 1 56 6 6 GLU N N 116.900 0.2 1 57 6 6 GLU C C 175.460 0.2 1 58 7 7 VAL H H 8.900 0.02 1 59 7 7 VAL HA H 4.668 0.02 1 60 7 7 VAL HB H 1.660 0.02 1 61 7 7 VAL HG1 H 0.537 0.02 . 62 7 7 VAL HG2 H 0.149 0.02 . 63 7 7 VAL CA C 61.050 0.2 1 64 7 7 VAL CB C 34.619 0.2 1 65 7 7 VAL CG1 C 21.209 0.2 2 66 7 7 VAL CG2 C 20.755 0.2 2 67 7 7 VAL N N 124.990 0.2 1 68 7 7 VAL C C 173.640 0.2 2 69 8 8 LEU H H 9.250 0.02 1 70 8 8 LEU HA H 5.711 0.02 1 71 8 8 LEU HB2 H 1.150 0.02 2 72 8 8 LEU HB3 H 1.574 0.02 2 73 8 8 LEU HD1 H 0.782 0.02 . 74 8 8 LEU HD2 H 0.789 0.02 . 75 8 8 LEU HG H 1.497 0.02 1 76 8 8 LEU CA C 52.435 0.2 1 77 8 8 LEU CB C 43.981 0.2 1 78 8 8 LEU CD1 C 25.776 0.2 2 79 8 8 LEU CD2 C 25.064 0.2 2 80 8 8 LEU CG C 27.364 0.2 1 81 8 8 LEU N N 125.160 0.2 1 82 8 8 LEU C C 178.010 0.2 1 83 9 9 TRP H H 9.240 0.02 1 84 9 9 TRP HA H 6.380 0.02 1 85 9 9 TRP HB2 H 2.650 0.02 2 86 9 9 TRP HB3 H 3.550 0.02 2 87 9 9 TRP HD1 H 6.970 0.02 1 88 9 9 TRP HE1 H 10.540 0.02 1 89 9 9 TRP HE3 H 7.170 0.02 1 90 9 9 TRP HH2 H 6.820 0.02 1 91 9 9 TRP HZ2 H 7.500 0.02 1 92 9 9 TRP HZ3 H 6.680 0.02 1 93 9 9 TRP CA C 54.750 0.2 1 94 9 9 TRP CB C 34.690 0.2 1 95 9 9 TRP CD1 C 126.160 0.2 1 96 9 9 TRP CE3 C 120.380 0.2 1 97 9 9 TRP CH2 C 123.750 0.2 1 98 9 9 TRP CZ2 C 114.190 0.2 1 99 9 9 TRP CZ3 C 121.570 0.2 1 100 9 9 TRP N N 124.060 0.2 1 101 9 9 TRP C C 173.300 0.2 1 102 10 10 ALA H H 9.020 0.02 1 103 10 10 ALA HA H 4.054 0.02 1 104 10 10 ALA HB H 1.423 0.02 . 105 10 10 ALA CA C 51.560 0.2 1 106 10 10 ALA CB C 23.140 0.2 1 107 10 10 ALA N N 120.240 0.2 1 108 10 10 ALA C C 174.730 0.2 1 109 11 11 GLN H H 8.400 0.02 1 110 11 11 GLN HA H 4.651 0.02 1 111 11 11 GLN HB2 H 1.829 0.02 2 112 11 11 GLN HB3 H 1.673 0.02 2 113 11 11 GLN HE21 H 7.640 0.02 2 114 11 11 GLN HE22 H 6.930 0.02 2 115 11 11 GLN HG2 H 1.395 0.02 2 116 11 11 GLN HG3 H 1.383 0.02 2 117 11 11 GLN CA C 54.023 0.2 1 118 11 11 GLN CB C 32.834 0.2 1 119 11 11 GLN CG C 36.410 0.2 1 120 11 11 GLN N N 113.330 0.2 1 121 11 11 GLN C C 174.380 0.2 1 122 12 12 ARG H H 8.750 0.02 1 123 12 12 ARG HA H 4.674 0.02 1 124 12 12 ARG HB2 H 2.393 0.02 2 125 12 12 ARG HB3 H 1.540 0.02 2 126 12 12 ARG HD2 H 2.960 0.02 2 127 12 12 ARG HD3 H 3.100 0.02 2 128 12 12 ARG HG2 H 1.620 0.02 2 129 12 12 ARG HG3 H 1.620 0.02 2 130 12 12 ARG CA C 53.510 0.2 1 131 12 12 ARG CB C 33.550 0.2 1 132 12 12 ARG CD C 45.250 0.2 1 133 12 12 ARG CG C 29.390 0.2 1 134 12 12 ARG N N 119.710 0.2 1 135 12 12 ARG C C 177.140 0.2 1 136 13 13 SER H H 10.840 0.02 1 137 13 13 SER HA H 3.710 0.02 1 138 13 13 SER HB2 H 3.900 0.02 2 139 13 13 SER HB3 H 3.900 0.02 2 140 13 13 SER CA C 64.480 0.2 1 141 13 13 SER CB C 62.370 0.2 1 142 13 13 SER N N 122.420 0.2 1 143 13 13 SER C C 172.860 0.2 1 144 14 14 ASP H H 8.500 0.02 1 145 14 14 ASP HA H 4.607 0.02 1 146 14 14 ASP HB2 H 2.323 0.02 2 147 14 14 ASP HB3 H 2.877 0.02 2 148 14 14 ASP CA C 52.980 0.2 1 149 14 14 ASP CB C 42.030 0.2 1 150 14 14 ASP N N 110.690 0.2 1 151 14 14 ASP C C 176.380 0.2 1 152 15 15 LYS H H 6.700 0.02 1 153 15 15 LYS HA H 5.208 0.02 1 154 15 15 LYS HB2 H 0.994 0.02 2 155 15 15 LYS HB3 H 1.288 0.02 2 156 15 15 LYS HD2 H 1.190 0.02 2 157 15 15 LYS HD3 H 1.300 0.02 2 158 15 15 LYS HE2 H 2.730 0.02 2 159 15 15 LYS HE3 H 3.070 0.02 2 160 15 15 LYS HG2 H 0.710 0.02 2 161 15 15 LYS HG3 H 1.010 0.02 2 162 15 15 LYS CA C 55.420 0.2 1 163 15 15 LYS CB C 36.952 0.2 1 164 15 15 LYS CD C 29.300 0.2 1 165 15 15 LYS CE C 41.700 0.2 1 166 15 15 LYS CG C 23.450 0.2 1 167 15 15 LYS N N 116.850 0.2 1 168 15 15 LYS C C 173.700 0.2 1 169 16 16 VAL H H 9.179 0.02 1 170 16 16 VAL HA H 4.080 0.02 1 171 16 16 VAL HB H 1.400 0.02 1 172 16 16 VAL HG1 H 0.100 0.02 . 173 16 16 VAL HG2 H 0.746 0.02 . 174 16 16 VAL CA C 61.510 0.2 1 175 16 16 VAL CB C 35.360 0.2 1 176 16 16 VAL CG1 C 21.890 0.2 2 177 16 16 VAL CG2 C 20.840 0.2 2 178 16 16 VAL N N 121.200 0.2 1 179 16 16 VAL C C 173.310 0.2 1 180 17 17 TYR H H 8.670 0.02 1 181 17 17 TYR HA H 5.500 0.02 1 182 17 17 TYR HB2 H 2.360 0.02 2 183 17 17 TYR HB3 H 2.930 0.02 2 184 17 17 TYR HD1 H 6.680 0.02 3 185 17 17 TYR HD2 H 6.860 0.02 3 186 17 17 TYR HE1 H 6.510 0.02 3 187 17 17 TYR HE2 H 6.630 0.02 3 188 17 17 TYR CA C 56.310 0.2 1 189 17 17 TYR CB C 41.150 0.2 1 190 17 17 TYR CD1 C 132.540 0.2 3 191 17 17 TYR CD2 C 132.260 0.2 3 192 17 17 TYR CE1 C 117.810 0.2 3 193 17 17 TYR CE2 C 117.910 0.2 3 194 17 17 TYR N N 124.240 0.2 1 195 17 17 TYR C C 175.470 0.2 1 196 18 18 LEU H H 8.770 0.02 1 197 18 18 LEU HA H 5.190 0.02 1 198 18 18 LEU HB2 H 1.625 0.02 2 199 18 18 LEU HB3 H 1.070 0.02 2 200 18 18 LEU HD1 H 0.130 0.02 . 201 18 18 LEU HD2 H 0.687 0.02 . 202 18 18 LEU HG H 1.300 0.02 1 203 18 18 LEU CA C 53.390 0.2 1 204 18 18 LEU CB C 45.770 0.2 1 205 18 18 LEU CD1 C 26.070 0.2 2 206 18 18 LEU CD2 C 24.170 0.2 2 207 18 18 LEU CG C 25.906 0.2 1 208 18 18 LEU N N 120.760 0.2 1 209 18 18 LEU C C 175.520 0.2 1 210 19 19 THR H H 9.548 0.02 1 211 19 19 THR HA H 5.179 0.02 1 212 19 19 THR HB H 4.031 0.02 1 213 19 19 THR HG2 H 0.953 0.02 . 214 19 19 THR CA C 62.550 0.2 1 215 19 19 THR CB C 69.310 0.2 1 216 19 19 THR CG2 C 20.660 0.2 1 217 19 19 THR N N 122.510 0.2 1 218 19 19 THR C C 173.570 0.2 1 219 20 20 VAL H H 9.700 0.02 1 220 20 20 VAL HA H 4.524 0.02 1 221 20 20 VAL HB H 2.042 0.02 1 222 20 20 VAL HG1 H 0.532 0.02 . 223 20 20 VAL HG2 H 0.830 0.02 . 224 20 20 VAL CA C 61.150 0.2 1 225 20 20 VAL CB C 33.150 0.2 1 226 20 20 VAL CG1 C 21.600 0.2 2 227 20 20 VAL CG2 C 21.170 0.2 2 228 20 20 VAL N N 127.230 0.2 1 229 20 20 VAL C C 176.090 0.2 1 230 21 21 ALA H H 8.840 0.02 1 231 21 21 ALA HA H 4.588 0.02 1 232 21 21 ALA HB H 1.359 0.02 . 233 21 21 ALA CA C 51.890 0.2 1 234 21 21 ALA CB C 17.670 0.2 1 235 21 21 ALA N N 134.450 0.2 1 236 21 21 ALA C C 174.970 0.2 1 237 22 22 LEU H H 7.600 0.02 1 238 22 22 LEU HA H 4.639 0.02 1 239 22 22 LEU HB2 H 0.815 0.02 2 240 22 22 LEU HB3 H 1.636 0.02 2 241 22 22 LEU HD1 H 0.282 0.02 . 242 22 22 LEU HD2 H 0.593 0.02 . 243 22 22 LEU HG H 1.140 0.02 1 244 22 22 LEU CA C 51.760 0.2 1 245 22 22 LEU CB C 44.840 0.2 1 246 22 22 LEU CD1 C 23.890 0.2 2 247 22 22 LEU CD2 C 26.320 0.2 2 248 22 22 LEU CG C 27.240 0.2 1 249 22 22 LEU N N 125.660 0.2 1 250 23 23 PRO HA H 4.288 0.02 1 251 23 23 PRO HB2 H 1.934 0.02 2 252 23 23 PRO HB3 H 2.277 0.02 2 253 23 23 PRO HD2 H 3.596 0.02 2 254 23 23 PRO HD3 H 3.597 0.02 2 255 23 23 PRO HG2 H 1.942 0.02 2 256 23 23 PRO HG3 H 2.058 0.02 2 257 23 23 PRO CA C 62.310 0.2 1 258 23 23 PRO CB C 33.050 0.2 1 259 23 23 PRO CD C 51.080 0.2 1 260 23 23 PRO CG C 27.240 0.2 1 261 23 23 PRO C C 175.810 0.2 1 262 24 24 ASP H H 8.130 0.02 1 263 24 24 ASP HA H 4.206 0.02 1 264 24 24 ASP HB2 H 2.467 0.02 2 265 24 24 ASP HB3 H 2.866 0.02 2 266 24 24 ASP CA C 54.990 0.2 1 267 24 24 ASP CB C 40.460 0.2 1 268 24 24 ASP N N 118.360 0.2 1 269 24 24 ASP C C 174.470 0.2 1 270 25 25 ALA H H 8.110 0.02 1 271 25 25 ALA HA H 4.423 0.02 1 272 25 25 ALA HB H 1.270 0.02 . 273 25 25 ALA CA C 53.060 0.2 1 274 25 25 ALA CB C 20.860 0.2 1 275 25 25 ALA N N 118.840 0.2 1 276 25 25 ALA C C 178.290 0.2 1 277 26 26 LYS H H 8.940 0.02 1 278 26 26 LYS HA H 4.637 0.02 1 279 26 26 LYS HB2 H 1.665 0.02 2 280 26 26 LYS HB3 H 1.810 0.02 2 281 26 26 LYS HD2 H 1.610 0.02 2 282 26 26 LYS HD3 H 1.642 0.02 2 283 26 26 LYS HE2 H 2.910 0.02 2 284 26 26 LYS HE3 H 2.910 0.02 2 285 26 26 LYS HG2 H 1.371 0.02 2 286 26 26 LYS HG3 H 1.370 0.02 2 287 26 26 LYS CA C 54.420 0.2 1 288 26 26 LYS CB C 36.210 0.2 1 289 26 26 LYS CD C 29.060 0.2 1 290 26 26 LYS CE C 42.440 0.2 1 291 26 26 LYS CG C 24.380 0.2 1 292 26 26 LYS N N 119.810 0.2 1 293 26 26 LYS C C 174.380 0.2 1 294 27 27 ASP H H 8.710 0.02 1 295 27 27 ASP HA H 4.215 0.02 1 296 27 27 ASP HB2 H 2.473 0.02 2 297 27 27 ASP HB3 H 2.866 0.02 2 298 27 27 ASP CA C 54.960 0.2 1 299 27 27 ASP CB C 40.700 0.2 1 300 27 27 ASP N N 120.080 0.2 1 301 27 27 ASP C C 174.710 0.2 1 302 28 28 ILE H H 8.120 0.02 1 303 28 28 ILE HA H 4.018 0.02 1 304 28 28 ILE HB H 1.702 0.02 1 305 28 28 ILE HD1 H 0.957 0.02 . 306 28 28 ILE HG12 H 1.454 0.02 2 307 28 28 ILE HG13 H 0.810 0.02 2 308 28 28 ILE HG2 H 0.863 0.02 . 309 28 28 ILE CA C 62.540 0.2 1 310 28 28 ILE CB C 39.050 0.2 1 311 28 28 ILE CD1 C 15.790 0.2 1 312 28 28 ILE CG1 C 29.160 0.2 1 313 28 28 ILE CG2 C 18.200 0.2 1 314 28 28 ILE N N 117.850 0.2 1 315 28 28 ILE C C 177.230 0.2 1 316 29 29 SER H H 9.150 0.02 1 317 29 29 SER HA H 4.690 0.02 1 318 29 29 SER HB2 H 3.510 0.02 2 319 29 29 SER HB3 H 3.577 0.02 2 320 29 29 SER CA C 57.290 0.2 1 321 29 29 SER CB C 64.510 0.2 1 322 29 29 SER N N 125.490 0.2 1 323 29 29 SER C C 173.050 0.2 1 324 30 30 VAL H H 8.380 0.02 1 325 30 30 VAL HA H 4.706 0.02 1 326 30 30 VAL HB H 1.701 0.02 1 327 30 30 VAL HG1 H 0.720 0.02 . 328 30 30 VAL HG2 H -0.054 0.02 . 329 30 30 VAL CA C 59.910 0.2 1 330 30 30 VAL CB C 36.630 0.2 1 331 30 30 VAL CG1 C 22.630 0.2 2 332 30 30 VAL CG2 C 22.640 0.2 2 333 30 30 VAL N N 126.860 0.2 1 334 30 30 VAL C C 175.420 0.2 2 335 31 31 LYS H H 8.160 0.02 1 336 31 31 LYS HA H 4.516 0.02 1 337 31 31 LYS HB2 H 1.500 0.02 2 338 31 31 LYS HB3 H 1.600 0.02 2 339 31 31 LYS HD2 H 1.550 0.02 2 340 31 31 LYS HD3 H 1.550 0.02 2 341 31 31 LYS HE2 H 2.830 0.02 2 342 31 31 LYS HE3 H 2.830 0.02 2 343 31 31 LYS HG2 H 1.194 0.02 2 344 31 31 LYS HG3 H 1.210 0.02 2 345 31 31 LYS CA C 55.320 0.2 1 346 31 31 LYS CB C 35.140 0.2 1 347 31 31 LYS CD C 29.160 0.2 1 348 31 31 LYS CE C 42.170 0.2 1 349 31 31 LYS CG C 24.790 0.2 1 350 31 31 LYS N N 126.960 0.2 1 351 31 31 LYS C C 173.870 0.2 1 352 32 32 CYS H H 8.790 0.02 1 353 32 32 CYS HA H 5.171 0.02 1 354 32 32 CYS HB2 H 2.503 0.02 2 355 32 32 CYS HB3 H 3.030 0.02 2 356 32 32 CYS CA C 57.700 0.2 1 357 32 32 CYS CB C 29.160 0.2 1 358 32 32 CYS N N 125.680 0.2 1 359 32 32 CYS C C 173.430 0.2 1 360 33 33 GLU H H 9.030 0.02 1 361 33 33 GLU HA H 4.992 0.02 1 362 33 33 GLU HB2 H 1.780 0.02 2 363 33 33 GLU HB3 H 2.500 0.02 2 364 33 33 GLU HG2 H 2.160 0.02 2 365 33 33 GLU HG3 H 2.162 0.02 2 366 33 33 GLU CA C 53.630 0.2 1 367 33 33 GLU CB C 31.070 0.2 1 368 33 33 GLU CG C 36.280 0.2 1 369 33 33 GLU N N 124.170 0.2 1 370 34 34 PRO HA H 4.710 0.02 1 371 34 34 PRO HB2 H 2.142 0.02 2 372 34 34 PRO HB3 H 2.490 0.02 2 373 34 34 PRO HD3 H 3.875 0.02 2 374 34 34 PRO HG2 H 2.140 0.02 2 375 34 34 PRO HG3 H 2.460 0.02 2 376 34 34 PRO CA C 64.890 0.2 1 377 34 34 PRO CB C 33.010 0.2 1 378 34 34 PRO CD C 51.500 0.2 1 379 34 34 PRO CG C 27.630 0.2 1 380 34 34 PRO C C 176.870 0.2 1 381 35 35 GLN H H 8.980 0.02 1 382 35 35 GLN HA H 4.162 0.02 1 383 35 35 GLN HB2 H 1.920 0.02 2 384 35 35 GLN HB3 H 2.072 0.02 2 385 35 35 GLN HE21 H 7.680 0.02 2 386 35 35 GLN HE22 H 7.380 0.02 2 387 35 35 GLN HG2 H 2.108 0.02 2 388 35 35 GLN HG3 H 2.490 0.02 2 389 35 35 GLN CA C 57.790 0.2 1 390 35 35 GLN CB C 27.060 0.2 1 391 35 35 GLN CG C 33.130 0.2 1 392 35 35 GLN N N 115.300 0.2 1 393 35 35 GLN C C 175.330 0.2 1 394 36 36 GLY H H 8.570 0.02 1 395 36 36 GLY HA2 H 3.540 0.02 2 396 36 36 GLY HA3 H 4.072 0.02 2 397 36 36 GLY CA C 45.740 0.2 1 398 36 36 GLY N N 107.550 0.2 1 399 36 36 GLY C C 172.220 0.2 1 400 37 37 LEU H H 7.230 0.02 1 401 37 37 LEU HA H 5.206 0.02 1 402 37 37 LEU HB2 H 1.413 0.02 2 403 37 37 LEU HB3 H 1.582 0.02 2 404 37 37 LEU HD1 H 0.720 0.02 . 405 37 37 LEU HD2 H 0.740 0.02 . 406 37 37 LEU HG H 1.363 0.02 1 407 37 37 LEU CA C 54.530 0.2 1 408 37 37 LEU CB C 44.490 0.2 1 409 37 37 LEU CD1 C 25.000 0.2 2 410 37 37 LEU CD2 C 24.220 0.2 2 411 37 37 LEU CG C 27.790 0.2 1 412 37 37 LEU N N 123.010 0.2 1 413 37 37 LEU C C 174.360 0.2 1 414 38 38 PHE H H 8.870 0.02 1 415 38 38 PHE HA H 4.960 0.02 1 416 38 38 PHE HB2 H 2.560 0.02 2 417 38 38 PHE HB3 H 2.924 0.02 2 418 38 38 PHE HD1 H 6.910 0.02 3 419 38 38 PHE HD2 H 6.890 0.02 3 420 38 38 PHE HE1 H 6.950 0.02 3 421 38 38 PHE HE2 H 6.940 0.02 3 422 38 38 PHE HZ H 6.920 0.02 1 423 38 38 PHE CA C 56.850 0.2 1 424 38 38 PHE CB C 43.120 0.2 1 425 38 38 PHE CD1 C 131.380 0.2 3 426 38 38 PHE CD2 C 131.330 0.2 3 427 38 38 PHE CE1 C 130.480 0.2 3 428 38 38 PHE CE2 C 130.600 0.2 3 429 38 38 PHE CZ C 129.110 0.2 1 430 38 38 PHE N N 127.090 0.2 1 431 38 38 PHE C C 174.800 0.2 1 432 39 39 SER H H 8.530 0.02 1 433 39 39 SER HA H 4.510 0.02 1 434 39 39 SER HB2 H 3.570 0.02 2 435 39 39 SER HB3 H 3.631 0.02 2 436 39 39 SER CA C 58.570 0.2 1 437 39 39 SER CB C 65.300 0.2 1 438 39 39 SER N N 122.890 0.2 1 439 40 40 PHE H H 8.340 0.02 1 440 40 40 PHE HA H 4.750 0.02 1 441 40 40 PHE HB2 H 1.350 0.02 2 442 40 40 PHE HB3 H 1.961 0.02 2 443 40 40 PHE HD1 H 6.910 0.02 3 444 40 40 PHE HD2 H 6.890 0.02 3 445 40 40 PHE HE1 H 6.950 0.02 3 446 40 40 PHE HE2 H 6.940 0.02 3 447 40 40 PHE HZ H 6.920 0.02 1 448 40 40 PHE CA C 56.450 0.2 1 449 40 40 PHE CB C 44.260 0.2 1 450 40 40 PHE CD1 C 131.380 0.2 3 451 40 40 PHE CD2 C 131.330 0.2 3 452 40 40 PHE CE1 C 130.480 0.2 3 453 40 40 PHE CE2 C 130.600 0.2 3 454 40 40 PHE CZ C 129.110 0.2 1 455 40 40 PHE N N 124.560 0.2 1 456 40 40 PHE C C 173.910 0.2 1 457 41 41 SER H H 7.880 0.02 1 458 41 41 SER HA H 5.141 0.02 1 459 41 41 SER HB2 H 3.683 0.02 2 460 41 41 SER HB3 H 3.570 0.02 2 461 41 41 SER CA C 56.920 0.2 1 462 41 41 SER CB C 65.440 0.2 1 463 41 41 SER N N 122.960 0.2 1 464 41 41 SER C C 171.830 0.2 1 465 42 42 ALA H H 8.770 0.02 1 466 42 42 ALA HA H 4.560 0.02 1 467 42 42 ALA HB H 1.200 0.02 . 468 42 42 ALA CA C 51.870 0.2 1 469 42 42 ALA CB C 24.830 0.2 1 470 42 42 ALA N N 122.800 0.2 1 471 42 42 ALA C C 174.950 0.2 1 472 43 43 LEU H H 8.770 0.02 1 473 43 43 LEU HA H 5.292 0.02 1 474 43 43 LEU HB2 H 1.563 0.02 2 475 43 43 LEU HB3 H 1.394 0.02 2 476 43 43 LEU HD1 H 0.830 0.02 . 477 43 43 LEU HD2 H 0.730 0.02 . 478 43 43 LEU HG H 1.623 0.02 1 479 43 43 LEU CA C 53.700 0.2 1 480 43 43 LEU CB C 45.120 0.2 1 481 43 43 LEU CD1 C 25.400 0.2 2 482 43 43 LEU CD2 C 23.850 0.2 2 483 43 43 LEU CG C 27.320 0.2 1 484 43 43 LEU N N 119.370 0.2 1 485 43 43 LEU C C 177.540 0.2 1 486 44 44 GLY H H 9.010 0.02 1 487 44 44 GLY HA2 H 3.820 0.02 2 488 44 44 GLY HA3 H 4.484 0.02 2 489 44 44 GLY CA C 43.810 0.2 1 490 44 44 GLY N N 107.510 0.2 1 491 44 44 GLY C C 175.110 0.2 1 492 45 45 ALA H H 8.860 0.02 1 493 45 45 ALA HA H 4.172 0.02 1 494 45 45 ALA HB H 1.490 0.02 . 495 45 45 ALA CA C 54.360 0.2 1 496 45 45 ALA CB C 19.120 0.2 1 497 45 45 ALA N N 123.510 0.2 1 498 45 45 ALA C C 179.100 0.2 1 499 46 46 GLN H H 8.880 0.02 1 500 46 46 GLN HA H 4.282 0.02 1 501 46 46 GLN HB2 H 2.200 0.02 2 502 46 46 GLN HB3 H 2.350 0.02 2 503 46 46 GLN HE21 H 7.610 0.02 2 504 46 46 GLN HE22 H 6.860 0.02 2 505 46 46 GLN HG2 H 2.353 0.02 2 506 46 46 GLN HG3 H 2.360 0.02 2 507 46 46 GLN CA C 56.060 0.2 1 508 46 46 GLN CB C 27.750 0.2 1 509 46 46 GLN CG C 34.800 0.2 1 510 46 46 GLN N N 114.870 0.2 1 511 46 46 GLN C C 176.390 0.2 1 512 47 47 GLY H H 8.240 0.02 1 513 47 47 GLY HA2 H 3.570 0.02 2 514 47 47 GLY HA3 H 4.120 0.02 2 515 47 47 GLY CA C 46.170 0.2 1 516 47 47 GLY N N 107.020 0.2 1 517 47 47 GLY C C 173.730 0.2 1 518 48 48 GLU H H 7.970 0.02 1 519 48 48 GLU HA H 4.120 0.02 1 520 48 48 GLU HB2 H 1.750 0.02 2 521 48 48 GLU HB3 H 1.880 0.02 2 522 48 48 GLU HG2 H 1.900 0.02 2 523 48 48 GLU HG3 H 2.140 0.02 2 524 48 48 GLU CA C 56.360 0.2 1 525 48 48 GLU CB C 30.570 0.2 1 526 48 48 GLU CG C 36.560 0.2 1 527 48 48 GLU N N 121.070 0.2 1 528 48 48 GLU C C 174.450 0.2 1 529 49 49 ARG H H 8.380 0.02 1 530 49 49 ARG HA H 4.854 0.02 1 531 49 49 ARG HB2 H 1.490 0.02 2 532 49 49 ARG HB3 H 1.750 0.02 2 533 49 49 ARG HD2 H 3.070 0.02 2 534 49 49 ARG HD3 H 3.071 0.02 2 535 49 49 ARG HG2 H 1.580 0.02 2 536 49 49 ARG HG3 H 1.580 0.02 2 537 49 49 ARG CA C 55.760 0.2 1 538 49 49 ARG CB C 31.220 0.2 1 539 49 49 ARG CD C 42.820 0.2 1 540 49 49 ARG CG C 31.220 0.2 1 541 49 49 ARG N N 123.880 0.2 1 542 49 49 ARG C C 175.040 0.2 1 543 50 50 PHE H H 9.280 0.02 1 544 50 50 PHE HA H 5.380 0.02 1 545 50 50 PHE HB2 H 2.730 0.02 2 546 50 50 PHE HB3 H 2.880 0.02 2 547 50 50 PHE HD1 H 6.910 0.02 3 548 50 50 PHE HD2 H 6.890 0.02 3 549 50 50 PHE HE1 H 6.950 0.02 3 550 50 50 PHE HE2 H 6.940 0.02 3 551 50 50 PHE HZ H 6.920 0.02 1 552 50 50 PHE CA C 56.720 0.2 1 553 50 50 PHE CB C 43.350 0.2 1 554 50 50 PHE CD1 C 131.380 0.2 3 555 50 50 PHE CD2 C 131.330 0.2 3 556 50 50 PHE CE1 C 130.480 0.2 3 557 50 50 PHE CE2 C 130.600 0.2 3 558 50 50 PHE CZ C 129.110 0.2 1 559 50 50 PHE N N 125.245 0.2 1 560 50 50 PHE C C 175.040 0.2 1 561 51 51 GLU H H 8.740 0.02 1 562 51 51 GLU HA H 5.614 0.02 1 563 51 51 GLU HB2 H 1.980 0.02 2 564 51 51 GLU HB3 H 2.060 0.02 2 565 51 51 GLU HG2 H 2.100 0.02 2 566 51 51 GLU HG3 H 2.220 0.02 2 567 51 51 GLU CA C 54.940 0.2 1 568 51 51 GLU CB C 35.120 0.2 1 569 51 51 GLU CG C 36.280 0.2 1 570 51 51 GLU N N 118.110 0.2 1 571 51 51 GLU C C 175.360 0.2 1 572 52 52 PHE H H 8.490 0.02 1 573 52 52 PHE HA H 4.860 0.02 1 574 52 52 PHE HB2 H 3.342 0.02 2 575 52 52 PHE HB3 H 3.360 0.02 2 576 52 52 PHE HD1 H 6.860 0.02 3 577 52 52 PHE HD2 H 6.890 0.02 3 578 52 52 PHE HE1 H 6.950 0.02 3 579 52 52 PHE HE2 H 6.940 0.02 3 580 52 52 PHE HZ H 6.920 0.02 1 581 52 52 PHE CA C 58.490 0.2 1 582 52 52 PHE CB C 40.750 0.2 1 583 52 52 PHE CD1 C 131.380 0.2 3 584 52 52 PHE CD2 C 131.330 0.2 3 585 52 52 PHE CE1 C 130.480 0.2 3 586 52 52 PHE CE2 C 130.600 0.2 3 587 52 52 PHE CZ C 129.110 0.2 1 588 52 52 PHE N N 113.840 0.2 1 589 52 52 PHE C C 172.680 0.2 1 590 53 53 SER H H 8.580 0.02 1 591 53 53 SER HA H 5.253 0.02 1 592 53 53 SER HB2 H 3.880 0.02 2 593 53 53 SER HB3 H 3.717 0.02 2 594 53 53 SER CA C 57.700 0.2 1 595 53 53 SER CB C 65.030 0.2 1 596 53 53 SER N N 114.700 0.2 1 597 53 53 SER C C 172.780 0.2 1 598 54 54 LEU H H 9.410 0.02 1 599 54 54 LEU HA H 4.881 0.02 1 600 54 54 LEU HB2 H 1.282 0.02 2 601 54 54 LEU HB3 H 1.930 0.02 2 602 54 54 LEU HD1 H 1.010 0.02 . 603 54 54 LEU HD2 H 0.740 0.02 . 604 54 54 LEU HG H 0.858 0.02 1 605 54 54 LEU CA C 53.420 0.2 1 606 54 54 LEU CB C 45.400 0.2 1 607 54 54 LEU CD1 C 23.480 0.2 2 608 54 54 LEU CD2 C 23.500 0.2 2 609 54 54 LEU CG C 27.330 0.2 1 610 54 54 LEU N N 123.420 0.2 1 611 54 54 LEU C C 175.180 0.2 1 612 55 55 GLU H H 8.510 0.02 1 613 55 55 GLU HA H 4.738 0.02 1 614 55 55 GLU HB2 H 1.968 0.02 2 615 55 55 GLU HB3 H 1.797 0.02 2 616 55 55 GLU HG2 H 1.982 0.02 2 617 55 55 GLU HG3 H 2.124 0.02 2 618 55 55 GLU CA C 55.610 0.2 1 619 55 55 GLU CB C 29.580 0.2 1 620 55 55 GLU CG C 36.840 0.2 1 621 55 55 GLU N N 123.760 0.2 1 622 55 55 GLU C C 176.050 0.2 1 623 56 56 LEU H H 8.990 0.02 1 624 56 56 LEU HA H 4.320 0.02 1 625 56 56 LEU HB2 H 1.630 0.02 2 626 56 56 LEU HB3 H 1.570 0.02 2 627 56 56 LEU HD1 H 0.770 0.02 . 628 56 56 LEU HD2 H 0.760 0.02 . 629 56 56 LEU HG H 1.540 0.02 1 630 56 56 LEU CA C 55.520 0.2 1 631 56 56 LEU CB C 43.350 0.2 1 632 56 56 LEU CD1 C 24.730 0.2 2 633 56 56 LEU CD2 C 24.100 0.2 2 634 56 56 LEU CG C 26.770 0.2 1 635 56 56 LEU N N 125.520 0.2 1 636 57 57 TYR H H 8.130 0.02 1 637 57 57 TYR HA H 2.945 0.02 1 638 57 57 TYR HB2 H 1.280 0.02 2 639 57 57 TYR HB3 H 2.211 0.02 2 640 57 57 TYR HD1 H 5.930 0.02 3 641 57 57 TYR HD2 H 6.860 0.02 3 642 57 57 TYR HE1 H 6.610 0.02 3 643 57 57 TYR HE2 H 6.630 0.02 3 644 57 57 TYR CA C 61.160 0.2 1 645 57 57 TYR CB C 39.670 0.2 1 646 57 57 TYR CD1 C 132.540 0.2 3 647 57 57 TYR CD2 C 132.260 0.2 3 648 57 57 TYR CE1 C 117.810 0.2 3 649 57 57 TYR CE2 C 117.910 0.2 3 650 57 57 TYR N N 119.390 0.2 1 651 58 58 GLY H H 8.340 0.02 1 652 58 58 GLY HA2 H 2.870 0.02 2 653 58 58 GLY HA3 H 3.569 0.02 2 654 58 58 GLY CA C 42.570 0.2 1 655 58 58 GLY C C 170.010 0.2 1 656 59 59 LYS H H 7.490 0.02 1 657 59 59 LYS HA H 4.110 0.02 1 658 59 59 LYS HB3 H 1.525 0.02 2 659 59 59 LYS HD2 H 2.040 0.02 2 660 59 59 LYS HD3 H 2.110 0.02 2 661 59 59 LYS HE2 H 2.880 0.02 2 662 59 59 LYS HE3 H 2.880 0.02 2 663 59 59 LYS HG2 H 1.380 0.02 2 664 59 59 LYS HG3 H 1.370 0.02 2 665 59 59 LYS CA C 57.320 0.2 1 666 59 59 LYS CB C 33.560 0.2 1 667 59 59 LYS CD C 29.130 0.2 1 668 59 59 LYS CE C 41.900 0.2 1 669 59 59 LYS CG C 24.840 0.2 1 670 59 59 LYS N N 112.590 0.2 1 671 59 59 LYS C C 179.040 0.2 1 672 60 60 ILE H H 8.510 0.02 1 673 60 60 ILE HA H 5.153 0.02 1 674 60 60 ILE HB H 2.044 0.02 1 675 60 60 ILE HD1 H 0.940 0.02 . 676 60 60 ILE HG12 H 1.300 0.02 2 677 60 60 ILE HG13 H 1.240 0.02 2 678 60 60 ILE HG2 H 0.800 0.02 . 679 60 60 ILE CA C 60.090 0.2 1 680 60 60 ILE CB C 42.920 0.2 1 681 60 60 ILE CD1 C 18.190 0.2 1 682 60 60 ILE CG1 C 25.450 0.2 1 683 60 60 ILE CG2 C 22.700 0.2 1 684 60 60 ILE N N 114.050 0.2 1 685 60 60 ILE C C 174.990 0.2 1 686 61 61 MET H H 8.350 0.02 1 687 61 61 MET HA H 4.820 0.02 1 688 61 61 MET HB2 H 2.404 0.02 2 689 61 61 MET HB3 H 2.430 0.02 2 690 61 61 MET HG2 H 2.440 0.02 2 691 61 61 MET HG3 H 2.410 0.02 2 692 61 61 MET CA C 54.190 0.2 1 693 61 61 MET CB C 32.420 0.2 1 694 61 61 MET CG C 32.070 0.2 1 695 61 61 MET N N 117.520 0.2 1 696 61 61 MET C C 177.670 0.2 1 697 62 62 THR H H 8.500 0.02 1 698 62 62 THR HA H 4.228 0.02 1 699 62 62 THR HB H 4.425 0.02 1 700 62 62 THR HG2 H 1.310 0.02 . 701 62 62 THR CA C 64.520 0.2 1 702 62 62 THR CB C 68.960 0.2 1 703 62 62 THR CG2 C 22.540 0.2 1 704 62 62 THR N N 111.020 0.2 1 705 62 62 THR C C 175.490 0.2 1 706 63 63 GLU H H 7.590 0.02 1 707 63 63 GLU HA H 4.530 0.02 1 708 63 63 GLU HB2 H 2.056 0.02 2 709 63 63 GLU HB3 H 1.924 0.02 2 710 63 63 GLU HG2 H 2.190 0.02 2 711 63 63 GLU HG3 H 2.190 0.02 2 712 63 63 GLU CA C 56.300 0.2 1 713 63 63 GLU CB C 29.060 0.2 1 714 63 63 GLU CG C 36.390 0.2 1 715 63 63 GLU N N 120.720 0.2 1 716 63 63 GLU C C 175.720 0.2 1 717 64 64 TYR H H 7.800 0.02 1 718 64 64 TYR HA H 5.170 0.02 1 719 64 64 TYR HB2 H 3.241 0.02 2 720 64 64 TYR HB3 H 3.340 0.02 2 721 64 64 TYR HD1 H 6.870 0.02 3 722 64 64 TYR HD2 H 6.860 0.02 3 723 64 64 TYR HE1 H 6.640 0.02 3 724 64 64 TYR HE2 H 6.630 0.02 3 725 64 64 TYR CA C 55.810 0.2 1 726 64 64 TYR CB C 40.940 0.2 1 727 64 64 TYR CD1 C 132.540 0.2 3 728 64 64 TYR CD2 C 132.260 0.2 3 729 64 64 TYR CE1 C 117.810 0.2 3 730 64 64 TYR CE2 C 117.910 0.2 3 731 64 64 TYR N N 124.640 0.2 1 732 64 64 TYR C C 173.860 0.2 3 733 65 65 ARG H H 8.650 0.02 1 734 65 65 ARG HA H 4.920 0.02 1 735 65 65 ARG HB2 H 1.740 0.02 2 736 65 65 ARG HB3 H 1.920 0.02 2 737 65 65 ARG HD3 H 3.147 0.02 2 738 65 65 ARG HG2 H 1.710 0.02 2 739 65 65 ARG HG3 H 1.600 0.02 2 740 65 65 ARG CA C 54.700 0.2 1 741 65 65 ARG CB C 33.570 0.2 1 742 65 65 ARG CD C 43.590 0.2 1 743 65 65 ARG CG C 27.620 0.2 1 744 65 65 ARG N N 119.200 0.2 1 745 65 65 ARG C C 175.290 0.2 1 746 66 66 LYS H H 9.020 0.02 1 747 66 66 LYS HA H 5.440 0.02 1 748 66 66 LYS HB2 H 1.421 0.02 2 749 66 66 LYS HB3 H 1.910 0.02 2 750 66 66 LYS HD2 H 1.560 0.02 2 751 66 66 LYS HD3 H 1.850 0.02 2 752 66 66 LYS HE2 H 2.730 0.02 2 753 66 66 LYS HE3 H 3.074 0.02 2 754 66 66 LYS HG2 H 1.162 0.02 2 755 66 66 LYS HG3 H 1.420 0.02 2 756 66 66 LYS CA C 54.620 0.2 1 757 66 66 LYS CB C 37.420 0.2 1 758 66 66 LYS CD C 30.160 0.2 1 759 66 66 LYS CE C 42.230 0.2 1 760 66 66 LYS CG C 24.290 0.2 1 761 66 66 LYS N N 121.700 0.2 1 762 66 66 LYS C C 173.960 0.2 1 763 67 67 ASN H H 8.760 0.02 1 764 67 67 ASN HA H 4.897 0.02 1 765 67 67 ASN HB2 H 2.320 0.02 2 766 67 67 ASN HB3 H 2.610 0.02 2 767 67 67 ASN HD21 H 7.370 0.02 2 768 67 67 ASN HD22 H 6.750 0.02 2 769 67 67 ASN CA C 52.880 0.2 1 770 67 67 ASN CB C 41.080 0.2 1 771 67 67 ASN N N 122.280 0.2 1 772 68 68 VAL H H 9.040 0.02 1 773 68 68 VAL HA H 3.968 0.02 1 774 68 68 VAL HB H 2.147 0.02 1 775 68 68 VAL HG1 H 0.910 0.02 . 776 68 68 VAL HG2 H 1.000 0.02 . 777 68 68 VAL CA C 63.710 0.2 1 778 68 68 VAL CB C 31.980 0.2 1 779 68 68 VAL CG1 C 21.560 0.2 2 780 68 68 VAL CG2 C 21.560 0.2 2 781 68 68 VAL N N 127.860 0.2 1 782 68 68 VAL C C 174.990 0.2 2 783 69 69 GLY H H 8.380 0.02 1 784 69 69 GLY HA2 H 3.960 0.02 2 785 69 69 GLY HA3 H 4.564 0.02 2 786 69 69 GLY CA C 43.930 0.2 1 787 69 69 GLY N N 117.770 0.2 1 788 69 69 GLY C C 173.560 0.2 1 789 70 70 LEU H H 8.530 0.02 1 790 70 70 LEU HA H 4.212 0.02 1 791 70 70 LEU HB2 H 1.540 0.02 2 792 70 70 LEU HB3 H 1.662 0.02 2 793 70 70 LEU HD1 H 1.340 0.02 . 794 70 70 LEU HD2 H 0.890 0.02 . 795 70 70 LEU HG H 2.094 0.02 1 796 70 70 LEU CA C 57.710 0.2 1 797 70 70 LEU CB C 42.800 0.2 1 798 70 70 LEU CD1 C 25.080 0.2 2 799 70 70 LEU CD2 C 23.450 0.2 2 800 70 70 LEU CG C 27.340 0.2 1 801 70 70 LEU N N 119.030 0.2 1 802 70 70 LEU C C 179.460 0.2 1 803 71 71 ARG H H 8.660 0.02 1 804 71 71 ARG HA H 4.330 0.02 1 805 71 71 ARG HB2 H 1.620 0.02 2 806 71 71 ARG HB3 H 1.850 0.02 2 807 71 71 ARG HD3 H 3.135 0.02 2 808 71 71 ARG HG2 H 1.830 0.02 2 809 71 71 ARG HG3 H 1.590 0.02 2 810 71 71 ARG CA C 55.960 0.2 1 811 71 71 ARG CB C 32.190 0.2 1 812 71 71 ARG CD C 42.910 0.2 1 813 71 71 ARG CG C 27.500 0.2 1 814 71 71 ARG N N 114.000 0.2 1 815 71 71 ARG C C 174.720 0.2 1 816 72 72 ASN H H 7.390 0.02 1 817 72 72 ASN HA H 4.500 0.02 1 818 72 72 ASN HB2 H 2.476 0.02 2 819 72 72 ASN HB3 H 2.748 0.02 2 820 72 72 ASN HD21 H 7.290 0.02 2 821 72 72 ASN HD22 H 6.630 0.02 2 822 72 72 ASN CA C 51.890 0.2 1 823 72 72 ASN CB C 41.260 0.2 1 824 72 72 ASN N N 112.690 0.2 1 825 72 72 ASN C C 172.960 0.2 1 826 73 73 ILE H H 8.450 0.02 1 827 73 73 ILE HA H 4.662 0.02 1 828 73 73 ILE HB H 1.602 0.02 1 829 73 73 ILE HD1 H 0.800 0.02 . 830 73 73 ILE HG12 H 1.823 0.02 2 831 73 73 ILE HG13 H 1.081 0.02 2 832 73 73 ILE HG2 H 0.400 0.02 . 833 73 73 ILE CA C 60.820 0.2 1 834 73 73 ILE CB C 43.000 0.2 1 835 73 73 ILE CD1 C 16.890 0.2 1 836 73 73 ILE CG1 C 27.990 0.2 1 837 73 73 ILE CG2 C 20.360 0.2 1 838 73 73 ILE N N 117.680 0.2 1 839 73 73 ILE C C 174.480 0.2 1 840 74 74 ILE H H 8.550 0.02 1 841 74 74 ILE HA H 4.964 0.02 1 842 74 74 ILE HB H 1.573 0.02 1 843 74 74 ILE HD1 H 0.680 0.02 . 844 74 74 ILE HG12 H 0.850 0.02 2 845 74 74 ILE HG13 H 1.510 0.02 2 846 74 74 ILE HG2 H 0.790 0.02 . 847 74 74 ILE CA C 60.610 0.2 1 848 74 74 ILE CB C 41.020 0.2 1 849 74 74 ILE CD1 C 14.420 0.2 1 850 74 74 ILE CG1 C 27.750 0.2 1 851 74 74 ILE CG2 C 17.070 0.2 1 852 74 74 ILE N N 125.390 0.2 1 853 74 74 ILE C C 175.560 0.2 1 854 75 75 PHE H H 9.790 0.02 1 855 75 75 PHE HA H 5.623 0.02 1 856 75 75 PHE HB2 H 2.820 0.02 2 857 75 75 PHE HB3 H 3.030 0.02 2 858 75 75 PHE HD1 H 6.910 0.02 3 859 75 75 PHE HD2 H 6.890 0.02 3 860 75 75 PHE HE1 H 6.950 0.02 3 861 75 75 PHE HE2 H 6.940 0.02 3 862 75 75 PHE HZ H 6.920 0.02 1 863 75 75 PHE CA C 57.180 0.2 1 864 75 75 PHE CB C 42.120 0.2 1 865 75 75 PHE CD1 C 131.380 0.2 3 866 75 75 PHE CD2 C 131.330 0.2 3 867 75 75 PHE CE1 C 130.480 0.2 3 868 75 75 PHE CE2 C 130.600 0.2 3 869 75 75 PHE CZ C 129.110 0.2 1 870 75 75 PHE N N 126.210 0.2 1 871 75 75 PHE C C 175.080 0.2 1 872 76 76 SER H H 8.970 0.02 1 873 76 76 SER HA H 5.040 0.02 1 874 76 76 SER HB3 H 3.605 0.02 2 875 76 76 SER CA C 56.930 0.2 1 876 76 76 SER CB C 64.210 0.2 1 877 76 76 SER N N 116.400 0.2 1 878 76 76 SER C C 173.710 0.2 1 879 77 77 ILE H H 9.110 0.02 1 880 77 77 ILE HA H 4.472 0.02 1 881 77 77 ILE HB H 1.583 0.02 1 882 77 77 ILE HD1 H 0.230 0.02 . 883 77 77 ILE HG12 H 0.854 0.02 2 884 77 77 ILE HG13 H 1.223 0.02 2 885 77 77 ILE HG2 H 0.790 0.02 . 886 77 77 ILE CA C 59.620 0.2 1 887 77 77 ILE CB C 40.960 0.2 1 888 77 77 ILE CD1 C 14.460 0.2 1 889 77 77 ILE CG1 C 27.750 0.2 1 890 77 77 ILE CG2 C 18.790 0.2 1 891 77 77 ILE N N 129.270 0.2 1 892 77 77 ILE C C 175.060 0.2 1 893 78 78 GLN H H 9.970 0.02 1 894 78 78 GLN HA H 4.380 0.02 1 895 78 78 GLN HB2 H 2.143 0.02 2 896 78 78 GLN HB3 H 1.990 0.02 2 897 78 78 GLN HE21 H 7.470 0.02 2 898 78 78 GLN HE22 H 6.820 0.02 2 899 78 78 GLN HG2 H 2.380 0.02 2 900 78 78 GLN HG3 H 2.490 0.02 2 901 78 78 GLN CA C 55.450 0.2 1 902 78 78 GLN CB C 30.160 0.2 1 903 78 78 GLN CG C 34.140 0.2 1 904 78 78 GLN N N 128.300 0.2 1 905 78 78 GLN C C 175.970 0.2 1 906 79 79 LYS H H 7.940 0.02 1 907 79 79 LYS HA H 4.502 0.02 1 908 79 79 LYS HB2 H 1.200 0.02 2 909 79 79 LYS HB3 H 2.350 0.02 2 910 79 79 LYS HD2 H 1.680 0.02 2 911 79 79 LYS HD3 H 1.320 0.02 2 912 79 79 LYS HG2 H 0.620 0.02 2 913 79 79 LYS HG3 H 0.880 0.02 2 914 79 79 LYS CA C 57.020 0.2 1 915 79 79 LYS CB C 34.970 0.2 1 916 79 79 LYS CD C 31.220 0.2 1 917 79 79 LYS CE C 40.940 0.2 1 918 79 79 LYS CG C 26.340 0.2 1 919 79 79 LYS N N 124.960 0.2 1 920 79 79 LYS C C 176.580 0.2 1 921 80 80 GLU H H 8.130 0.02 1 922 80 80 GLU HA H 3.950 0.02 1 923 80 80 GLU HB2 H 1.820 0.02 2 924 80 80 GLU HB3 H 1.610 0.02 2 925 80 80 GLU HG2 H 1.920 0.02 2 926 80 80 GLU HG3 H 2.100 0.02 2 927 80 80 GLU CA C 59.610 0.2 1 928 80 80 GLU CB C 30.720 0.2 1 929 80 80 GLU CG C 36.690 0.2 1 930 80 80 GLU N N 122.980 0.2 1 931 80 80 GLU C C 175.680 0.2 1 932 81 81 GLU H H 8.060 0.02 1 933 81 81 GLU HA H 4.570 0.02 1 934 81 81 GLU HB2 H 1.870 0.02 2 935 81 81 GLU HB3 H 1.952 0.02 2 936 81 81 GLU HG2 H 2.160 0.02 2 937 81 81 GLU HG3 H 2.170 0.02 2 938 81 81 GLU CA C 54.000 0.2 1 939 81 81 GLU CB C 32.840 0.2 1 940 81 81 GLU CG C 36.410 0.2 1 941 81 81 GLU N N 115.130 0.2 1 942 81 81 GLU C C 175.170 0.2 1 943 82 82 ARG H H 8.680 0.02 1 944 82 82 ARG HA H 4.270 0.02 1 945 82 82 ARG HB2 H 1.690 0.02 2 946 82 82 ARG HB3 H 1.690 0.02 2 947 82 82 ARG HD2 H 2.500 0.02 2 948 82 82 ARG HD3 H 2.700 0.02 2 949 82 82 ARG HG2 H 1.410 0.02 2 950 82 82 ARG HG3 H 1.410 0.02 2 951 82 82 ARG CA C 56.960 0.2 1 952 82 82 ARG CB C 29.660 0.2 1 953 82 82 ARG CD C 42.500 0.2 1 954 82 82 ARG CG C 24.420 0.2 1 955 82 82 ARG N N 124.910 0.2 1 956 82 82 ARG C C 175.740 0.2 1 957 83 83 SER H H 8.220 0.02 1 958 83 83 SER HA H 4.610 0.02 1 959 83 83 SER HB3 H 4.035 0.02 2 960 83 83 SER CA C 58.370 0.2 1 961 83 83 SER CB C 64.830 0.2 1 962 83 83 SER N N 121.150 0.2 1 963 83 83 SER C C 172.940 0.2 1 964 84 84 TRP H H 9.480 0.02 1 965 84 84 TRP HA H 3.912 0.02 1 966 84 84 TRP HB2 H 3.050 0.02 2 967 84 84 TRP HB3 H 3.171 0.02 2 968 84 84 TRP HD1 H 6.930 0.02 1 969 84 84 TRP HE1 H 9.960 0.02 1 970 84 84 TRP HE3 H 7.170 0.02 1 971 84 84 TRP HH2 H 6.820 0.02 1 972 84 84 TRP HZ2 H 7.140 0.02 1 973 84 84 TRP HZ3 H 7.290 0.02 1 974 84 84 TRP CA C 58.300 0.2 1 975 84 84 TRP CB C 29.600 0.2 1 976 84 84 TRP CD1 C 126.160 0.2 1 977 84 84 TRP CE3 C 120.380 0.2 1 978 84 84 TRP CH2 C 123.750 0.2 1 979 84 84 TRP CZ2 C 114.190 0.2 1 980 84 84 TRP CZ3 C 121.570 0.2 1 981 84 84 TRP N N 128.620 0.2 1 982 84 84 TRP C C 176.320 0.2 1 983 85 85 TRP H H 8.900 0.02 1 984 85 85 TRP HA H 4.690 0.02 1 985 85 85 TRP HB2 H 2.900 0.02 2 986 85 85 TRP HB3 H 3.070 0.02 2 987 85 85 TRP HD1 H 7.000 0.02 1 988 85 85 TRP HE1 H 11.000 0.02 1 989 85 85 TRP HE3 H 7.170 0.02 1 990 85 85 TRP HH2 H 6.820 0.02 1 991 85 85 TRP HZ2 H 7.140 0.02 1 992 85 85 TRP HZ3 H 6.680 0.02 1 993 85 85 TRP CA C 55.410 0.2 1 994 85 85 TRP CB C 29.550 0.2 1 995 85 85 TRP CD1 C 126.160 0.2 1 996 85 85 TRP CE3 C 120.380 0.2 1 997 85 85 TRP CH2 C 123.750 0.2 1 998 85 85 TRP CZ2 C 114.190 0.2 1 999 85 85 TRP CZ3 C 121.570 0.2 1 1000 85 85 TRP N N 130.040 0.2 1 1001 85 85 TRP C C 177.590 0.2 1 1002 86 86 THR H H 7.050 0.02 1 1003 86 86 THR HA H 4.133 0.02 1 1004 86 86 THR HB H 4.157 0.02 1 1005 86 86 THR HG2 H 1.280 0.02 . 1006 86 86 THR CA C 63.850 0.2 1 1007 86 86 THR CB C 68.840 0.2 1 1008 86 86 THR CG2 C 22.000 0.2 1 1009 86 86 THR N N 114.510 0.2 1 1010 86 86 THR C C 172.440 0.2 1 1011 87 87 ARG H H 6.940 0.02 1 1012 87 87 ARG HA H 4.520 0.02 1 1013 87 87 ARG HB2 H 1.940 0.02 2 1014 87 87 ARG HB3 H 1.780 0.02 2 1015 87 87 ARG HD2 H 2.440 0.02 2 1016 87 87 ARG HD3 H 2.730 0.02 2 1017 87 87 ARG HG2 H 1.140 0.02 2 1018 87 87 ARG HG3 H 1.510 0.02 2 1019 87 87 ARG CA C 54.050 0.2 1 1020 87 87 ARG CB C 30.880 0.2 1 1021 87 87 ARG CD C 42.150 0.2 1 1022 87 87 ARG CG C 25.450 0.2 1 1023 87 87 ARG N N 114.550 0.2 1 1024 87 87 ARG C C 171.810 0.2 1 1025 88 88 LEU H H 7.000 0.02 1 1026 88 88 LEU HA H 3.462 0.02 1 1027 88 88 LEU HB2 H -1.070 0.02 2 1028 88 88 LEU HB3 H 0.660 0.02 2 1029 88 88 LEU HD1 H 0.080 0.02 . 1030 88 88 LEU HD2 H 0.360 0.02 . 1031 88 88 LEU HG H 1.060 0.02 1 1032 88 88 LEU CA C 57.590 0.2 1 1033 88 88 LEU CB C 41.100 0.2 1 1034 88 88 LEU CD1 C 25.010 0.2 2 1035 88 88 LEU CD2 C 22.020 0.2 2 1036 88 88 LEU CG C 26.770 0.2 1 1037 88 88 LEU N N 117.810 0.2 1 1038 89 89 LEU H H 7.930 0.02 1 1039 89 89 LEU HA H 4.602 0.02 1 1040 89 89 LEU HB2 H 1.480 0.02 2 1041 89 89 LEU HB3 H 1.530 0.02 2 1042 89 89 LEU HD1 H 0.870 0.02 . 1043 89 89 LEU HD2 H 0.840 0.02 . 1044 89 89 LEU HG H 1.520 0.02 1 1045 89 89 LEU CA C 53.450 0.2 1 1046 89 89 LEU CB C 42.810 0.2 1 1047 89 89 LEU CD1 C 25.320 0.2 2 1048 89 89 LEU CD2 C 23.700 0.2 2 1049 89 89 LEU CG C 27.220 0.2 1 1050 89 89 LEU N N 114.190 0.2 1 1051 89 89 LEU C C 176.480 0.2 1 1052 90 90 LYS H H 7.900 0.02 1 1053 90 90 LYS HA H 3.662 0.02 1 1054 90 90 LYS HB2 H 1.401 0.02 2 1055 90 90 LYS HB3 H 1.610 0.02 2 1056 90 90 LYS HD2 H 1.180 0.02 2 1057 90 90 LYS HD3 H 1.440 0.02 2 1058 90 90 LYS HE2 H 2.790 0.02 2 1059 90 90 LYS HE3 H 2.790 0.02 2 1060 90 90 LYS HG2 H 1.170 0.02 2 1061 90 90 LYS HG3 H 1.170 0.02 2 1062 90 90 LYS CA C 59.640 0.2 1 1063 90 90 LYS CB C 32.140 0.2 1 1064 90 90 LYS CD C 28.860 0.2 1 1065 90 90 LYS CE C 42.180 0.2 1 1066 90 90 LYS CG C 24.140 0.2 1 1067 90 90 LYS N N 119.810 0.2 1 1068 90 90 LYS C C 178.910 0.2 1 1069 91 91 SER H H 8.340 0.02 1 1070 91 91 SER HA H 4.180 0.02 1 1071 91 91 SER HB2 H 3.600 0.02 2 1072 91 91 SER HB3 H 3.943 0.02 2 1073 91 91 SER CA C 58.000 0.2 1 1074 91 91 SER CB C 63.820 0.2 1 1075 91 91 SER N N 112.700 0.2 1 1076 91 91 SER C C 175.130 0.2 1 1077 92 92 GLU H H 8.830 0.02 1 1078 92 92 GLU HA H 4.030 0.02 1 1079 92 92 GLU HB2 H 2.070 0.02 2 1080 92 92 GLU HB3 H 1.920 0.02 2 1081 92 92 GLU HG2 H 2.220 0.02 2 1082 92 92 GLU HG3 H 2.220 0.02 2 1083 92 92 GLU CA C 57.090 0.2 1 1084 92 92 GLU CB C 30.520 0.2 1 1085 92 92 GLU CG C 36.490 0.2 1 1086 92 92 GLU N N 124.390 0.2 1 1087 92 92 GLU C C 176.820 0.2 1 1088 93 93 GLU H H 8.100 0.02 1 1089 93 93 GLU HA H 4.090 0.02 1 1090 93 93 GLU HB2 H 1.972 0.02 2 1091 93 93 GLU HB3 H 1.810 0.02 2 1092 93 93 GLU HG2 H 2.210 0.02 2 1093 93 93 GLU HG3 H 2.230 0.02 2 1094 93 93 GLU CA C 56.380 0.2 1 1095 93 93 GLU CB C 30.360 0.2 1 1096 93 93 GLU CG C 36.480 0.2 1 1097 93 93 GLU N N 120.390 0.2 1 1098 94 94 LYS H H 8.510 0.02 1 1099 94 94 LYS HA H 4.920 0.02 1 1100 94 94 LYS HB2 H 1.850 0.02 2 1101 94 94 LYS HB3 H 1.850 0.02 2 1102 94 94 LYS HD2 H 1.610 0.02 2 1103 94 94 LYS HD3 H 1.610 0.02 2 1104 94 94 LYS HE2 H 2.930 0.02 2 1105 94 94 LYS HE3 H 2.930 0.02 2 1106 94 94 LYS HG2 H 1.380 0.02 2 1107 94 94 LYS HG3 H 1.370 0.02 2 1108 94 94 LYS CA C 55.250 0.2 1 1109 94 94 LYS CB C 32.380 0.2 1 1110 94 94 LYS CD C 28.780 0.2 1 1111 94 94 LYS CE C 42.770 0.2 1 1112 94 94 LYS CG C 24.910 0.2 1 1113 94 94 LYS N N 125.000 0.2 1 1114 95 95 PRO HA H 4.190 0.02 1 1115 95 95 PRO HB2 H 2.040 0.02 2 1116 95 95 PRO HB3 H 1.880 0.02 2 1117 95 95 PRO HD2 H 3.740 0.02 2 1118 95 95 PRO HD3 H 3.860 0.02 2 1119 95 95 PRO HG2 H 2.030 0.02 2 1120 95 95 PRO HG3 H 1.920 0.02 2 1121 95 95 PRO CA C 62.660 0.2 1 1122 95 95 PRO CB C 32.570 0.2 1 1123 95 95 PRO CD C 51.150 0.2 1 1124 95 95 PRO CG C 27.480 0.2 1 1125 95 95 PRO C C 175.800 0.2 1 1126 96 96 ALA H H 8.163 0.02 1 1127 96 96 ALA HA H 4.360 0.02 1 1128 96 96 ALA HB H 1.180 0.02 . 1129 96 96 ALA CA C 50.960 0.2 1 1130 96 96 ALA CB C 18.670 0.2 1 1131 96 96 ALA N N 124.992 0.2 1 1132 97 97 PRO HA H 4.360 0.02 1 1133 97 97 PRO HB2 H 2.070 0.02 2 1134 97 97 PRO HB3 H 2.380 0.02 2 1135 97 97 PRO HD2 H 3.520 0.02 2 1136 97 97 PRO HD3 H 3.610 0.02 2 1137 97 97 PRO HG2 H 2.110 0.02 2 1138 97 97 PRO HG3 H 2.114 0.02 2 1139 97 97 PRO CA C 64.950 0.2 1 1140 97 97 PRO CB C 32.230 0.2 1 1141 97 97 PRO CD C 50.870 0.2 1 1142 97 97 PRO CG C 27.800 0.2 1 1143 97 97 PRO C C 176.310 0.2 1 1144 98 98 TYR H H 6.420 0.02 1 1145 98 98 TYR HA H 4.620 0.02 1 1146 98 98 TYR HB2 H 2.670 0.02 2 1147 98 98 TYR HB3 H 3.580 0.02 2 1148 98 98 TYR HD1 H 7.030 0.02 3 1149 98 98 TYR HD2 H 6.860 0.02 3 1150 98 98 TYR HE1 H 6.640 0.02 3 1151 98 98 TYR HE2 H 6.630 0.02 3 1152 98 98 TYR CA C 56.960 0.2 1 1153 98 98 TYR CB C 36.730 0.2 1 1154 98 98 TYR CD1 C 132.540 0.2 3 1155 98 98 TYR CD2 C 132.260 0.2 3 1156 98 98 TYR CE1 C 117.810 0.2 3 1157 98 98 TYR CE2 C 117.910 0.2 3 1158 98 98 TYR N N 111.900 0.2 1 1159 98 98 TYR C C 172.700 0.2 3 1160 99 99 ILE H H 7.270 0.02 1 1161 99 99 ILE HA H 4.670 0.02 1 1162 99 99 ILE HB H 1.630 0.02 1 1163 99 99 ILE HD1 H 0.570 0.02 . 1164 99 99 ILE HG12 H 0.650 0.02 2 1165 99 99 ILE HG13 H 0.240 0.02 2 1166 99 99 ILE HG2 H 0.550 0.02 . 1167 99 99 ILE CA C 60.720 0.2 1 1168 99 99 ILE CB C 37.590 0.2 1 1169 99 99 ILE CD1 C 14.360 0.2 1 1170 99 99 ILE CG1 C 27.800 0.2 1 1171 99 99 ILE CG2 C 17.570 0.2 1 1172 99 99 ILE N N 122.420 0.2 1 1173 99 99 ILE C C 175.600 0.2 1 1174 100 100 LYS H H 9.350 0.02 1 1175 100 100 LYS HA H 4.780 0.02 1 1176 100 100 LYS HB2 H 1.540 0.02 2 1177 100 100 LYS HB3 H 1.970 0.02 2 1178 100 100 LYS HD2 H 1.660 0.02 2 1179 100 100 LYS HD3 H 1.590 0.02 2 1180 100 100 LYS HE2 H 2.930 0.02 2 1181 100 100 LYS HE3 H 2.930 0.02 2 1182 100 100 LYS HG2 H 1.350 0.02 2 1183 100 100 LYS HG3 H 1.350 0.02 2 1184 100 100 LYS CA C 54.100 0.2 1 1185 100 100 LYS CB C 37.300 0.2 1 1186 100 100 LYS CD C 29.490 0.2 1 1187 100 100 LYS CE C 41.780 0.2 1 1188 100 100 LYS CG C 25.160 0.2 1 1189 100 100 LYS N N 127.950 0.2 1 1190 100 100 LYS C C 174.930 0.2 1 1191 101 101 VAL H H 8.000 0.02 1 1192 101 101 VAL HA H 3.210 0.02 1 1193 101 101 VAL HB H 0.730 0.02 1 1194 101 101 VAL HG1 H 0.120 0.02 . 1195 101 101 VAL HG2 H -1.190 0.02 . 1196 101 101 VAL CA C 63.350 0.2 1 1197 101 101 VAL CB C 32.830 0.2 1 1198 101 101 VAL CG1 C 21.480 0.2 2 1199 101 101 VAL CG2 C 19.470 0.2 2 1200 101 101 VAL N N 121.070 0.2 1 1201 101 101 VAL C C 175.400 0.2 2 1202 102 102 ASP H H 8.770 0.02 1 1203 102 102 ASP HA H 4.420 0.02 1 1204 102 102 ASP HB2 H 1.930 0.02 2 1205 102 102 ASP HB3 H 2.710 0.02 2 1206 102 102 ASP CA C 51.540 0.2 1 1207 102 102 ASP CB C 39.540 0.2 1 1208 102 102 ASP N N 124.030 0.2 1 1209 102 102 ASP C C 175.970 0.2 1 1210 103 103 TRP H H 7.840 0.02 1 1211 103 103 TRP HA H 4.393 0.02 1 1212 103 103 TRP HB2 H 3.410 0.02 2 1213 103 103 TRP HB3 H 3.030 0.02 2 1214 103 103 TRP HD1 H 7.240 0.02 1 1215 103 103 TRP HE1 H 9.820 0.02 1 1216 103 103 TRP HE3 H 7.170 0.02 1 1217 103 103 TRP HH2 H 6.820 0.02 1 1218 103 103 TRP HZ2 H 7.240 0.02 1 1219 103 103 TRP HZ3 H 6.680 0.02 1 1220 103 103 TRP CA C 59.670 0.2 1 1221 103 103 TRP CB C 29.200 0.2 1 1222 103 103 TRP CD1 C 126.160 0.2 1 1223 103 103 TRP CE3 C 120.380 0.2 1 1224 103 103 TRP CH2 C 123.750 0.2 1 1225 103 103 TRP CZ2 C 114.190 0.2 1 1226 103 103 TRP CZ3 C 121.570 0.2 1 1227 103 103 TRP N N 125.960 0.2 1 1228 103 103 TRP C C 177.460 0.2 1 1229 104 104 ASN H H 8.170 0.02 1 1230 104 104 ASN HA H 4.620 0.02 1 1231 104 104 ASN HB2 H 2.700 0.02 2 1232 104 104 ASN HB3 H 2.820 0.02 2 1233 104 104 ASN HD21 H 7.780 0.02 2 1234 104 104 ASN HD22 H 6.900 0.02 2 1235 104 104 ASN CA C 55.800 0.2 1 1236 104 104 ASN CB C 38.820 0.2 1 1237 104 104 ASN N N 115.980 0.2 1 1238 104 104 ASN C C 176.120 0.2 1 1239 105 105 LYS H H 6.920 0.02 1 1240 105 105 LYS HA H 4.420 0.02 1 1241 105 105 LYS HB2 H 1.130 0.02 2 1242 105 105 LYS HB3 H 1.480 0.02 2 1243 105 105 LYS HD2 H 0.770 0.02 2 1244 105 105 LYS HD3 H 1.200 0.02 2 1245 105 105 LYS HE2 H 2.340 0.02 2 1246 105 105 LYS HE3 H 2.340 0.02 2 1247 105 105 LYS HG2 H 1.110 0.02 2 1248 105 105 LYS HG3 H 0.900 0.02 2 1249 105 105 LYS CA C 55.880 0.2 1 1250 105 105 LYS CB C 35.760 0.2 1 1251 105 105 LYS CD C 28.280 0.2 1 1252 105 105 LYS CE C 41.460 0.2 1 1253 105 105 LYS CG C 25.200 0.2 1 1254 105 105 LYS N N 115.980 0.2 1 1255 105 105 LYS C C 175.590 0.2 1 1256 106 106 TRP H H 7.970 0.02 1 1257 106 106 TRP HA H 4.140 0.02 1 1258 106 106 TRP HB2 H 3.020 0.02 2 1259 106 106 TRP HB3 H 3.420 0.02 2 1260 106 106 TRP HD1 H 7.100 0.02 1 1261 106 106 TRP HE1 H 10.240 0.02 1 1262 106 106 TRP HE3 H 7.170 0.02 1 1263 106 106 TRP HH2 H 6.820 0.02 1 1264 106 106 TRP HZ2 H 7.600 0.02 1 1265 106 106 TRP HZ3 H 6.680 0.02 1 1266 106 106 TRP CA C 59.030 0.2 1 1267 106 106 TRP CB C 29.640 0.2 1 1268 106 106 TRP CD1 C 126.160 0.2 1 1269 106 106 TRP CE3 C 120.380 0.2 1 1270 106 106 TRP CH2 C 123.750 0.2 1 1271 106 106 TRP CZ2 C 114.190 0.2 1 1272 106 106 TRP CZ3 C 121.570 0.2 1 1273 106 106 TRP N N 122.350 0.2 1 1274 106 106 TRP C C 175.850 0.2 1 1275 107 107 CYS H H 7.600 0.02 1 1276 107 107 CYS HA H 4.720 0.02 1 1277 107 107 CYS HB2 H 2.650 0.02 2 1278 107 107 CYS HB3 H 3.040 0.02 2 1279 107 107 CYS CA C 56.210 0.2 1 1280 107 107 CYS CB C 31.600 0.2 1 1281 107 107 CYS N N 124.170 0.2 1 1282 107 107 CYS C C 171.300 0.2 1 1283 108 108 ASP H H 8.590 0.02 1 1284 108 108 ASP HA H 4.790 0.02 1 1285 108 108 ASP HB2 H 2.740 0.02 2 1286 108 108 ASP HB3 H 2.430 0.02 2 1287 108 108 ASP CA C 53.940 0.2 1 1288 108 108 ASP CB C 42.260 0.2 1 1289 108 108 ASP N N 119.340 0.2 1 1290 108 108 ASP C C 177.020 0.2 1 1291 109 109 GLU H H 7.990 0.02 1 1292 109 109 GLU HA H 4.140 0.02 1 1293 109 109 GLU HB2 H 1.620 0.02 2 1294 109 109 GLU HB3 H 1.960 0.02 2 1295 109 109 GLU HG2 H 2.220 0.02 2 1296 109 109 GLU HG3 H 2.220 0.02 2 1297 109 109 GLU CA C 58.530 0.2 1 1298 109 109 GLU CB C 29.290 0.2 1 1299 109 109 GLU CG C 36.490 0.2 1 1300 109 109 GLU N N 122.150 0.2 1 1301 109 109 GLU C C 177.450 0.2 1 1302 110 110 ASP H H 8.060 0.02 1 1303 110 110 ASP HA H 4.270 0.02 1 1304 110 110 ASP HB2 H 2.550 0.02 2 1305 110 110 ASP HB3 H 2.560 0.02 2 1306 110 110 ASP CA C 54.840 0.2 1 1307 110 110 ASP CB C 40.200 0.2 1 1308 110 110 ASP N N 115.350 0.2 1 1309 110 110 ASP C C 176.330 0.2 1 1310 111 111 GLU H H 7.530 0.02 1 1311 111 111 GLU HA H 4.240 0.02 1 1312 111 111 GLU HB2 H 1.950 0.02 2 1313 111 111 GLU HB3 H 2.120 0.02 2 1314 111 111 GLU HG2 H 2.190 0.02 2 1315 111 111 GLU HG3 H 2.190 0.02 2 1316 111 111 GLU CA C 56.340 0.2 1 1317 111 111 GLU CB C 31.190 0.2 1 1318 111 111 GLU CG C 36.840 0.2 1 1319 111 111 GLU N N 118.620 0.2 1 1320 111 111 GLU C C 176.950 0.2 1 1321 112 112 GLU H H 7.620 0.02 1 1322 112 112 GLU HA H 4.040 0.02 1 1323 112 112 GLU HB2 H 2.150 0.02 2 1324 112 112 GLU HB3 H 1.960 0.02 2 1325 112 112 GLU HG2 H 2.310 0.02 2 1326 112 112 GLU CA C 62.900 0.2 1 1327 112 112 GLU CB C 32.660 0.2 1 1328 112 112 GLU CG C 36.470 0.2 1 1329 112 112 GLU N N 121.870 0.2 1 1330 112 112 GLU C C 176.820 0.2 1 1331 113 113 VAL H H 8.090 0.02 1 1332 113 113 VAL HA H 4.040 0.02 1 1333 113 113 VAL HB H 2.050 0.02 1 1334 113 113 VAL HG1 H 0.870 0.02 . 1335 113 113 VAL HG2 H 0.860 0.02 . 1336 113 113 VAL CA C 62.900 0.2 1 1337 113 113 VAL CB C 32.660 0.2 1 1338 113 113 VAL CG1 C 21.010 0.2 2 1339 113 113 VAL CG2 C 21.010 0.2 2 1340 113 113 VAL N N 120.570 0.2 1 1341 113 113 VAL C C 175.950 0.2 2 1342 114 114 ASN H H 8.270 0.02 1 1343 114 114 ASN HA H 4.770 0.02 1 1344 114 114 ASN HB2 H 2.720 0.02 2 1345 114 114 ASN HB3 H 2.860 0.02 2 1346 114 114 ASN HD21 H 7.590 0.02 2 1347 114 114 ASN HD22 H 6.910 0.02 2 1348 114 114 ASN CA C 53.610 0.2 1 1349 114 114 ASN CB C 39.360 0.2 1 1350 114 114 ASN N N 121.350 0.2 1 1351 114 114 ASN C C 175.320 0.2 1 1352 115 115 SER H H 8.180 0.02 1 1353 115 115 SER HA H 4.410 0.02 1 1354 115 115 SER HB2 H 3.840 0.02 2 1355 115 115 SER HB3 H 3.880 0.02 2 1356 115 115 SER CA C 58.850 0.2 1 1357 115 115 SER CB C 63.980 0.2 1 1358 115 115 SER N N 116.550 0.2 1 1359 115 115 SER C C 173.600 0.2 1 1360 116 116 GLU H H 8.560 0.02 1 1361 116 116 GLU HA H 4.320 0.02 1 1362 116 116 GLU HB2 H 1.940 0.02 2 1363 116 116 GLU HB3 H 2.050 0.02 2 1364 116 116 GLU HG2 H 2.250 0.02 2 1365 116 116 GLU HG3 H 2.250 0.02 2 1366 116 116 GLU CA C 57.240 0.2 1 1367 116 116 GLU CB C 30.350 0.2 1 1368 116 116 GLU CG C 36.540 0.2 1 1369 116 116 GLU N N 122.780 0.2 1 1370 116 116 GLU C C 176.900 0.2 1 1371 117 117 THR H H 8.100 0.02 1 1372 117 117 THR HA H 4.280 0.02 1 1373 117 117 THR HB H 4.175 0.02 1 1374 117 117 THR HG2 H 1.150 0.02 . 1375 117 117 THR CA C 62.110 0.2 1 1376 117 117 THR CB C 70.030 0.2 1 1377 117 117 THR CG2 C 21.880 0.2 1 1378 117 117 THR N N 114.460 0.2 1 1379 117 117 THR C C 174.360 0.2 1 1380 118 118 ALA H H 8.270 0.02 1 1381 118 118 ALA HA H 4.320 0.02 1 1382 118 118 ALA HB H 1.350 0.02 . 1383 118 118 ALA CA C 52.840 0.2 1 1384 118 118 ALA CB C 19.530 0.2 1 1385 118 118 ALA N N 126.730 0.2 1 1386 118 118 ALA C C 177.740 0.2 1 1387 119 119 SER H H 8.310 0.02 1 1388 119 119 SER HA H 4.380 0.02 1 1389 119 119 SER HB2 H 3.800 0.02 2 1390 119 119 SER HB3 H 3.830 0.02 2 1391 119 119 SER CA C 58.640 0.2 1 1392 119 119 SER CB C 63.990 0.2 1 1393 119 119 SER N N 115.340 0.2 1 1394 119 119 SER C C 174.570 0.2 1 1395 120 120 ASP H H 8.330 0.02 1 1396 120 120 ASP HA H 4.560 0.02 1 1397 120 120 ASP HB2 H 2.610 0.02 2 1398 120 120 ASP HB3 H 2.690 0.02 2 1399 120 120 ASP CA C 54.700 0.2 1 1400 120 120 ASP CB C 41.290 0.2 1 1401 120 120 ASP C C 175.650 0.2 1 1402 121 121 ASP H H 8.300 0.02 1 1403 121 121 ASP HA H 4.290 0.02 1 1404 121 121 ASP HB2 H 2.610 0.02 2 1405 121 121 ASP HB3 H 2.690 0.02 2 1406 121 121 ASP CA C 55.080 0.2 1 1407 121 121 ASP CB C 41.400 0.2 1 1408 121 121 ASP N N 121.300 0.2 1 1409 121 121 ASP C C 176.970 0.2 1 1410 122 122 GLU H H 8.400 0.02 1 1411 122 122 GLU HA H 4.150 0.02 1 1412 122 122 GLU HB2 H 1.930 0.02 2 1413 122 122 GLU HB3 H 2.060 0.02 2 1414 122 122 GLU HG2 H 2.220 0.02 2 1415 122 122 GLU HG3 H 2.220 0.02 2 1416 122 122 GLU CA C 57.590 0.2 1 1417 122 122 GLU CB C 30.010 0.2 1 1418 122 122 GLU CG C 36.560 0.2 1 1419 122 122 GLU N N 121.320 0.2 1 1420 123 123 SER H H 8.240 0.02 1 1421 123 123 SER HA H 4.250 0.02 1 1422 123 123 SER HB2 H 3.843 0.02 2 1423 123 123 SER HB3 H 3.840 0.02 2 1424 123 123 SER CA C 59.780 0.2 1 1425 123 123 SER CB C 63.540 0.2 1 1426 123 123 SER N N 116.050 0.2 1 1427 123 123 SER C C 174.770 0.2 1 1428 124 124 ALA H H 7.980 0.02 1 1429 124 124 ALA HA H 4.144 0.02 1 1430 124 124 ALA HB H 1.140 0.02 . 1431 124 124 ALA CA C 53.120 0.2 1 1432 124 124 ALA CB C 19.130 0.2 1 1433 124 124 ALA N N 124.500 0.2 1 1434 124 124 ALA C C 177.540 0.2 1 1435 125 125 PHE H H 7.910 0.02 1 1436 125 125 PHE HA H 4.531 0.02 1 1437 125 125 PHE HB2 H 2.960 0.02 2 1438 125 125 PHE HB3 H 3.080 0.02 2 1439 125 125 PHE HD1 H 7.120 0.02 3 1440 125 125 PHE HD2 H 6.890 0.02 3 1441 125 125 PHE HE1 H 6.950 0.02 3 1442 125 125 PHE HE2 H 6.940 0.02 3 1443 125 125 PHE HZ H 6.920 0.02 1 1444 125 125 PHE CA C 57.790 0.2 1 1445 125 125 PHE CB C 39.590 0.2 1 1446 125 125 PHE CD1 C 131.380 0.2 3 1447 125 125 PHE CD2 C 131.330 0.2 3 1448 125 125 PHE CE1 C 130.480 0.2 3 1449 125 125 PHE CE2 C 130.600 0.2 3 1450 125 125 PHE CZ C 129.110 0.2 1 1451 125 125 PHE N N 117.810 0.2 1 1452 125 125 PHE C C 175.730 0.2 1 1453 126 126 VAL H H 7.830 0.02 1 1454 126 126 VAL HA H 4.034 0.02 1 1455 126 126 VAL HB H 1.980 0.02 1 1456 126 126 VAL HG1 H 0.870 0.02 . 1457 126 126 VAL HG2 H 0.860 0.02 . 1458 126 126 VAL CA C 62.360 0.2 1 1459 126 126 VAL CB C 33.220 0.2 1 1460 126 126 VAL CG1 C 21.060 0.2 2 1461 126 126 VAL CG2 C 20.840 0.2 2 1462 126 126 VAL N N 120.340 0.2 1 1463 126 126 VAL C C 175.540 0.2 2 1464 127 127 ASN H H 8.410 0.02 1 1465 127 127 ASN HA H 4.660 0.02 1 1466 127 127 ASN HB2 H 2.700 0.02 2 1467 127 127 ASN HB3 H 2.822 0.02 2 1468 127 127 ASN HD21 H 7.590 0.02 2 1469 127 127 ASN HD22 H 6.920 0.02 2 1470 127 127 ASN CA C 53.510 0.2 1 1471 127 127 ASN CB C 39.170 0.2 1 1472 127 127 ASN N N 122.640 0.2 1 1473 127 127 ASN C C 174.030 0.2 1 1474 128 128 GLN H H 8.300 0.02 1 1475 128 128 GLN HA H 4.300 0.02 1 1476 128 128 GLN HB2 H 2.070 0.02 2 1477 128 128 GLN HB3 H 1.950 0.02 2 1478 128 128 GLN HE21 H 6.800 0.02 2 1479 128 128 GLN HE22 H 7.490 0.02 2 1480 128 128 GLN HG2 H 2.300 0.02 2 1481 128 128 GLN HG3 H 2.300 0.02 2 1482 128 128 GLN CA C 56.200 0.2 1 1483 128 128 GLN CB C 30.100 0.2 1 1484 128 128 GLN CG C 33.929 0.2 1 1485 128 128 GLN N N 119.970 0.2 1 1486 128 128 GLN C C 177.350 0.2 1 1487 129 129 ASP H H 8.430 0.02 1 1488 129 129 ASP HA H 4.630 0.02 1 1489 129 129 ASP HB2 H 2.610 0.02 2 1490 129 129 ASP HB3 H 2.733 0.02 2 1491 129 129 ASP CA C 54.840 0.2 1 1492 129 129 ASP CB C 41.530 0.2 1 1493 129 129 ASP N N 121.540 0.2 1 1494 129 129 ASP C C 177.350 0.2 1 1495 130 130 SER H H 8.270 0.02 1 1496 130 130 SER HA H 4.410 0.02 1 1497 130 130 SER HB2 H 3.810 0.02 2 1498 130 130 SER HB3 H 3.850 0.02 2 1499 130 130 SER CA C 58.790 0.2 1 1500 130 130 SER CB C 64.080 0.2 1 1501 130 130 SER N N 116.180 0.2 1 1502 130 130 SER C C 174.590 0.2 1 1503 131 131 GLU H H 8.460 0.02 1 1504 131 131 GLU HA H 4.310 0.02 1 1505 131 131 GLU HB2 H 1.930 0.02 2 1506 131 131 GLU HB3 H 2.060 0.02 2 1507 131 131 GLU HG2 H 2.230 0.02 2 1508 131 131 GLU HG3 H 2.232 0.02 2 1509 131 131 GLU CA C 56.780 0.2 1 1510 131 131 GLU CB C 30.560 0.2 1 1511 131 131 GLU CG C 36.520 0.2 1 1512 131 131 GLU N N 122.580 0.2 1 1513 131 131 GLU C C 176.460 0.2 1 1514 132 132 SER H H 8.320 0.02 1 1515 132 132 SER HA H 4.500 0.02 1 1516 132 132 SER HB2 H 3.853 0.02 2 1517 132 132 SER HB3 H 3.850 0.02 2 1518 132 132 SER CA C 58.340 0.2 1 1519 132 132 SER CB C 64.220 0.2 1 1520 132 132 SER N N 116.680 0.2 1 1521 132 132 SER C C 174.440 0.2 1 1522 133 133 SER H H 8.440 0.02 1 1523 133 133 SER HA H 4.500 0.02 1 1524 133 133 SER HB2 H 3.850 0.02 2 1525 133 133 SER HB3 H 3.850 0.02 2 1526 133 133 SER CA C 58.340 0.2 1 1527 133 133 SER CB C 64.220 0.2 1 1528 133 133 SER N N 118.170 0.2 1 1529 133 133 SER C C 174.340 0.2 1 1530 134 134 ASP H H 8.340 0.02 1 1531 134 134 ASP HA H 4.620 0.02 1 1532 134 134 ASP HB2 H 2.680 0.02 2 1533 134 134 ASP HB3 H 2.590 0.02 2 1534 134 134 ASP CA C 54.780 0.2 1 1535 134 134 ASP CB C 41.490 0.2 1 1536 134 134 ASP N N 122.430 0.2 1 1537 134 134 ASP C C 176.040 0.2 1 1538 135 135 ASP H H 8.250 0.02 1 1539 135 135 ASP HA H 4.580 0.02 1 1540 135 135 ASP HB2 H 2.600 0.02 2 1541 135 135 ASP HB3 H 2.680 0.02 2 1542 135 135 ASP CA C 54.780 0.2 1 1543 135 135 ASP CB C 41.460 0.2 1 1544 135 135 ASP N N 120.590 0.2 1 1545 135 135 ASP C C 176.160 0.2 1 1546 136 136 ASP H H 8.200 0.02 1 1547 136 136 ASP HA H 4.508 0.02 1 1548 136 136 ASP HB2 H 2.600 0.02 2 1549 136 136 ASP HB3 H 2.690 0.02 2 1550 136 136 ASP CA C 54.950 0.2 1 1551 136 136 ASP CB C 41.350 0.2 1 1552 136 136 ASP N N 120.550 0.2 1 1553 136 136 ASP C C 177.150 0.2 1 1554 137 137 GLY H H 8.400 0.02 1 1555 137 137 GLY HA2 H 3.880 0.02 2 1556 137 137 GLY HA3 H 3.880 0.02 2 1557 137 137 GLY CA C 46.090 0.2 1 1558 137 137 GLY N N 108.920 0.2 1 1559 137 137 GLY C C 174.710 0.2 1 1560 138 138 LEU H H 7.980 0.02 1 1561 138 138 LEU HA H 4.250 0.02 1 1562 138 138 LEU HB2 H 1.360 0.02 2 1563 138 138 LEU HB3 H 1.460 0.02 2 1564 138 138 LEU HD1 H 0.810 0.02 . 1565 138 138 LEU HD2 H 0.850 0.02 . 1566 138 138 LEU HG H 1.520 0.02 1 1567 138 138 LEU CA C 55.610 0.2 1 1568 138 138 LEU CB C 42.250 0.2 1 1569 138 138 LEU CD1 C 25.040 0.2 2 1570 138 138 LEU CD2 C 23.800 0.2 2 1571 138 138 LEU CG C 27.160 0.2 1 1572 138 138 LEU N N 121.530 0.2 1 1573 138 138 LEU C C 177.350 0.2 1 1574 139 139 LEU H H 8.030 0.02 1 1575 139 139 LEU HA H 4.220 0.02 1 1576 139 139 LEU HB2 H 1.370 0.02 2 1577 139 139 LEU HB3 H 1.500 0.02 2 1578 139 139 LEU HD1 H 0.770 0.02 . 1579 139 139 LEU HD2 H 0.840 0.02 . 1580 139 139 LEU HG H 1.520 0.02 1 1581 139 139 LEU CA C 55.470 0.2 1 1582 139 139 LEU CB C 42.850 0.2 1 1583 139 139 LEU CD1 C 24.730 0.2 2 1584 139 139 LEU CD2 C 24.100 0.2 2 1585 139 139 LEU CG C 26.770 0.2 1 1586 139 139 LEU N N 121.560 0.2 1 1587 139 139 LEU C C 176.650 0.2 1 1588 140 140 TYR H H 8.020 0.02 1 1589 140 140 TYR HA H 4.570 0.02 1 1590 140 140 TYR HB2 H 2.870 0.02 2 1591 140 140 TYR HB3 H 2.990 0.02 2 1592 140 140 TYR HD1 H 7.070 0.02 3 1593 140 140 TYR HD2 H 6.860 0.02 3 1594 140 140 TYR HE1 H 6.640 0.02 3 1595 140 140 TYR HE2 H 6.630 0.02 3 1596 140 140 TYR CA C 57.480 0.2 1 1597 140 140 TYR CB C 38.840 0.2 1 1598 140 140 TYR CD1 C 132.540 0.2 3 1599 140 140 TYR CD2 C 132.260 0.2 3 1600 140 140 TYR CE1 C 117.810 0.2 3 1601 140 140 TYR CE2 C 117.910 0.2 3 1602 140 140 TYR N N 120.710 0.2 1 1603 140 140 TYR C C 174.990 0.2 3 1604 141 141 LEU H H 7.980 0.02 1 1605 141 141 LEU HA H 4.520 0.02 1 1606 141 141 LEU HB2 H 1.470 0.02 2 1607 141 141 LEU HB3 H 1.530 0.02 2 1608 141 141 LEU HD1 H 0.870 0.02 . 1609 141 141 LEU HD2 H 0.840 0.02 . 1610 141 141 LEU HG H 1.520 0.02 1 1611 141 141 LEU CA C 53.300 0.2 1 1612 141 141 LEU CB C 42.090 0.2 1 1613 141 141 LEU CD1 C 25.540 0.2 2 1614 141 141 LEU CD2 C 23.740 0.2 2 1615 141 141 LEU CG C 26.900 0.2 1 1616 141 141 LEU N N 125.820 0.2 1 1617 142 142 PRO HA H 4.280 0.02 1 1618 142 142 PRO HB2 H 1.820 0.02 2 1619 142 142 PRO HB3 H 2.230 0.02 2 1620 142 142 PRO HD2 H 3.540 0.02 2 1621 142 142 PRO HD3 H 4.270 0.02 2 1622 142 142 PRO HG2 H 1.930 0.02 2 1623 142 142 PRO HG3 H 1.930 0.02 2 1624 142 142 PRO CA C 63.660 0.2 1 1625 142 142 PRO CB C 32.250 0.2 1 1626 142 142 PRO CD C 50.650 0.2 1 1627 142 142 PRO CG C 27.510 0.2 1 1628 142 142 PRO C C 176.840 0.2 1 1629 143 143 ASP H H 8.270 0.02 1 1630 143 143 ASP HA H 4.517 0.02 1 1631 143 143 ASP HB2 H 2.600 0.02 2 1632 143 143 ASP HB3 H 2.690 0.02 2 1633 143 143 ASP CA C 54.900 0.2 1 1634 143 143 ASP CB C 41.020 0.2 1 1635 143 143 ASP N N 119.120 0.2 1 1636 143 143 ASP C C 176.920 0.2 1 1637 144 144 LEU H H 8.130 0.02 1 1638 144 144 LEU HA H 4.200 0.02 1 1639 144 144 LEU HB2 H 1.570 0.02 2 1640 144 144 LEU HB3 H 1.652 0.02 2 1641 144 144 LEU HD1 H 0.880 0.02 . 1642 144 144 LEU HD2 H 0.820 0.02 . 1643 144 144 LEU HG H 1.540 0.02 1 1644 144 144 LEU CA C 56.320 0.2 1 1645 144 144 LEU CB C 42.270 0.2 1 1646 144 144 LEU CD1 C 25.190 0.2 2 1647 144 144 LEU CD2 C 23.580 0.2 2 1648 144 144 LEU CG C 25.200 0.2 1 1649 144 144 LEU N N 122.380 0.2 1 1650 144 144 LEU C C 178.110 0.2 1 1651 145 145 GLU H H 8.220 0.02 1 1652 145 145 GLU HA H 4.140 0.02 1 1653 145 145 GLU HB2 H 1.940 0.02 2 1654 145 145 GLU HB3 H 2.040 0.02 2 1655 145 145 GLU HG2 H 2.220 0.02 2 1656 145 145 GLU HG3 H 2.220 0.02 2 1657 145 145 GLU CA C 57.510 0.2 1 1658 145 145 GLU CB C 30.080 0.2 1 1659 145 145 GLU CG C 36.460 0.2 1 1660 145 145 GLU N N 119.910 0.2 1 1661 145 145 GLU C C 177.230 0.2 1 1662 146 146 LYS H H 7.950 0.02 1 1663 146 146 LYS HA H 4.170 0.02 1 1664 146 146 LYS HB2 H 1.750 0.02 2 1665 146 146 LYS HB3 H 1.790 0.02 2 1666 146 146 LYS HD2 H 1.640 0.02 2 1667 146 146 LYS HD3 H 1.760 0.02 2 1668 146 146 LYS HE2 H 2.980 0.02 2 1669 146 146 LYS HE3 H 2.980 0.02 2 1670 146 146 LYS HG2 H 1.390 0.02 2 1671 146 146 LYS HG3 H 1.390 0.02 2 1672 146 146 LYS CA C 57.080 0.2 1 1673 146 146 LYS CB C 33.000 0.2 1 1674 146 146 LYS CD C 29.300 0.2 1 1675 146 146 LYS CE C 42.370 0.2 1 1676 146 146 LYS CG C 25.060 0.2 1 1677 146 146 LYS N N 120.740 0.2 1 1678 146 146 LYS C C 176.780 0.2 1 1679 147 147 ALA H H 8.050 0.02 1 1680 147 147 ALA HA H 4.230 0.02 1 1681 147 147 ALA HB H 1.370 0.02 . 1682 147 147 ALA CA C 52.950 0.2 1 1683 147 147 ALA CB C 19.300 0.2 1 1684 147 147 ALA N N 123.430 0.2 1 1685 147 147 ALA C C 177.800 0.2 1 1686 148 148 ARG H H 8.070 0.02 1 1687 148 148 ARG HA H 4.270 0.02 1 1688 148 148 ARG HB2 H 1.750 0.02 2 1689 148 148 ARG HB3 H 1.821 0.02 2 1690 148 148 ARG HD2 H 3.150 0.02 2 1691 148 148 ARG HD3 H 3.150 0.02 2 1692 148 148 ARG HG2 H 1.580 0.02 2 1693 148 148 ARG HG3 H 1.600 0.02 2 1694 148 148 ARG CA C 56.450 0.2 1 1695 148 148 ARG CB C 31.090 0.2 1 1696 148 148 ARG CD C 43.610 0.2 1 1697 148 148 ARG CG C 27.340 0.2 1 1698 148 148 ARG N N 119.330 0.2 1 1699 148 148 ARG C C 176.110 0.2 1 1700 149 149 ASN H H 8.300 0.02 1 1701 149 149 ASN HA H 4.680 0.02 1 1702 149 149 ASN HB2 H 2.710 0.02 2 1703 149 149 ASN HB3 H 2.820 0.02 2 1704 149 149 ASN HD21 H 7.590 0.02 2 1705 149 149 ASN HD22 H 6.910 0.02 2 1706 149 149 ASN CA C 53.580 0.2 1 1707 149 149 ASN CB C 39.170 0.2 1 1708 149 149 ASN N N 119.570 0.2 1 1709 149 149 ASN C C 174.030 0.2 1 1710 150 150 LYS H H 7.830 0.02 1 1711 150 150 LYS HA H 4.110 0.02 1 1712 150 150 LYS HB2 H 1.770 0.02 2 1713 150 150 LYS HB3 H 1.670 0.02 2 1714 150 150 LYS HD2 H 1.340 0.02 2 1715 150 150 LYS HD3 H 1.340 0.02 2 1716 150 150 LYS HE2 H 2.930 0.02 2 1717 150 150 LYS HE3 H 2.930 0.02 2 1718 150 150 LYS HG2 H 1.770 0.02 2 1719 150 150 LYS HG3 H 1.670 0.02 2 1720 150 150 LYS CA C 57.940 0.2 1 1721 150 150 LYS CB C 33.900 0.2 1 1722 150 150 LYS CD C 24.750 0.2 1 1723 150 150 LYS CE C 42.400 0.2 1 1724 150 150 LYS CG C 29.350 0.2 1 1725 150 150 LYS N N 126.270 0.2 1 stop_ save_