data_5772 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N chemical shifts of CBM13 from Streptomyces lividans ; _BMRB_accession_number 5772 _BMRB_flat_file_name bmr5772.str _Entry_type original _Submission_date 2003-03-14 _Accession_date 2003-03-14 _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 Schaerpf Manuela . . 2 McIntosh Lawrence P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 475 "13C chemical shifts" 481 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-05-22 original author . stop_ _Original_release_date 2003-05-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Site-specific Characterization of the Association of Xylooligosaccharides with the CBM13 Lectin-like Xylan Binding Domain from Streptomyces lividans Xylanase 10A by NMR Spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21911662 _PubMed_ID 11914071 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Scharpf Manuela . . 2 Connelly G. P. . 3 Lee G. M. . 4 Boraston A. B. . 5 Warren R. A. . 6 McIntosh Lawrence P. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 41 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4255 _Page_last 4263 _Year 2002 _Details . loop_ _Keyword glucanase 'carbohydrate binding module' 'trefoil structure' '15N relaxation' dynamics stop_ save_ ################################## # Molecular system description # ################################## save_system_CBM13 _Saveframe_category molecular_system _Mol_system_name SlxA_CBM13 _Abbreviation_common CBM13 _Enzyme_commission_number 3.2.1.8 loop_ _Mol_system_component_name _Mol_label CBM13 $CBM13 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'xylan binding' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CBM13 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'family 13 carbohydrate binding modul' _Abbreviation_common CBM13 _Molecular_mass 15035.3 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; HHHHHHIEGRASEPPADGGQ IKGVGSGRCLDVPDASTSDG TQLQLWDCHSGTNQQWAATD AGELRVYGDKCLDAAGTSNG SKVQIYSCWGGDNQKWRLNS DGSVVGVQSGLCLDAVGNGT ANGTLIQLYTCSNGSNQRWT RT ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 ILE 8 GLU 9 GLY 10 ARG 11 ALA 12 SER 13 GLU 14 PRO 15 PRO 16 ALA 17 ASP 18 GLY 19 GLY 20 GLN 21 ILE 22 LYS 23 GLY 24 VAL 25 GLY 26 SER 27 GLY 28 ARG 29 CYS 30 LEU 31 ASP 32 VAL 33 PRO 34 ASP 35 ALA 36 SER 37 THR 38 SER 39 ASP 40 GLY 41 THR 42 GLN 43 LEU 44 GLN 45 LEU 46 TRP 47 ASP 48 CYS 49 HIS 50 SER 51 GLY 52 THR 53 ASN 54 GLN 55 GLN 56 TRP 57 ALA 58 ALA 59 THR 60 ASP 61 ALA 62 GLY 63 GLU 64 LEU 65 ARG 66 VAL 67 TYR 68 GLY 69 ASP 70 LYS 71 CYS 72 LEU 73 ASP 74 ALA 75 ALA 76 GLY 77 THR 78 SER 79 ASN 80 GLY 81 SER 82 LYS 83 VAL 84 GLN 85 ILE 86 TYR 87 SER 88 CYS 89 TRP 90 GLY 91 GLY 92 ASP 93 ASN 94 GLN 95 LYS 96 TRP 97 ARG 98 LEU 99 ASN 100 SER 101 ASP 102 GLY 103 SER 104 VAL 105 VAL 106 GLY 107 VAL 108 GLN 109 SER 110 GLY 111 LEU 112 CYS 113 LEU 114 ASP 115 ALA 116 VAL 117 GLY 118 ASN 119 GLY 120 THR 121 ALA 122 ASN 123 GLY 124 THR 125 LEU 126 ILE 127 GLN 128 LEU 129 TYR 130 THR 131 CYS 132 SER 133 ASN 134 GLY 135 SER 136 ASN 137 GLN 138 ARG 139 TRP 140 THR 141 ARG 142 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1KNL "Streptomyces Lividans Xylan Binding Domain Cbm13" 91.55 130 100.00 100.00 7.14e-87 PDB 1MC9 "Strepromyces Lividans Xylan Binding Domain Cbm13 In Complex With Xylopentaose" 91.55 130 100.00 100.00 7.14e-87 EMBL CAD55241 "xylanase A [Streptomyces coelicolor A3(2)]" 94.37 477 97.76 98.51 1.85e-85 GB AAC26525 "xylanase A precursor [Streptomyces lividans 1326]" 94.37 477 98.51 99.25 2.70e-86 GB AIJ12797 "Endo-1,4-beta-xylanase A [Streptomyces lividans TK24]" 94.37 477 98.51 99.25 2.70e-86 GB EFD66158 "xylanase A [Streptomyces lividans TK24]" 94.37 477 98.51 99.25 2.70e-86 GB EOY50917 "Endo-1,4-beta-xylanase A precursor [Streptomyces lividans 1326]" 94.37 477 98.51 99.25 2.70e-86 REF NP_733679 "xylanase A, partial [Streptomyces coelicolor A3(2)]" 94.37 477 97.76 98.51 1.85e-85 REF WP_003973090 "MULTISPECIES: endo-1,4-beta-xylanase [Streptomyces]" 94.37 477 98.51 99.25 2.70e-86 REF WP_011030540 "endo-1,4-beta-xylanase, partial [Streptomyces coelicolor]" 94.37 477 97.76 98.51 1.85e-85 SP P26514 "RecName: Full=Endo-1,4-beta-xylanase A; Short=Xylanase A; AltName: Full=1,4-beta-D-xylan xylanohydrolase A; Flags: Precursor [S" 94.37 477 98.51 99.25 2.70e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CBM13 'Streptomyces lividans' 1916 Eubacteria . Streptomyces lividans 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 $CBM13 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBM13 1 mM '[U-13C; U-15N]' 'potassium phosphate' 50 mM . 'potassium chloride' 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version '95 and 2000' _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model UNITY _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-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_CC-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name CC-TOCSY _Sample_label . save_ save_HCC-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_HMQC-NH2_9 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-NH2 _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CC-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-NH2 _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_SlxA_CBM13_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 0.1 na temperature 303 2 K 'ionic strength' 0.1 0.02 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 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_CS_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H-15N-HSQC HNCACB CBCACONH CC-TOCSY HCC-TOCSY HNCO HNHA HNHB HMQC-NH2 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $SlxA_CBM13_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name CBM13 _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 . 7 ILE H H 8.094 0.2 1 2 . 7 ILE C C 174.58 0.3 1 3 . 7 ILE CA C 60.878 0.3 1 4 . 7 ILE CB C 38.888 0.3 1 5 . 7 ILE CG1 C 27.012 0.3 1 6 . 7 ILE CG2 C 12.602 0.3 2 7 . 7 ILE CD1 C 12.602 0.3 2 8 . 7 ILE N N 123.35 0.2 1 9 . 8 GLU H H 8.478 0.02 1 10 . 8 GLU HA H 4.464 0.02 1 11 . 8 GLU C C 175.85 0.3 1 12 . 8 GLU CA C 56.645 0.3 1 13 . 8 GLU CB C 30.26 0.3 2 14 . 8 GLU CG C 36.023 0.3 2 15 . 8 GLU N N 125.572 0.2 1 16 . 9 GLY H H 8.398 0.02 1 17 . 9 GLY HA2 H 4.68 0.02 1 18 . 9 GLY HA3 H 4.68 0.02 1 19 . 9 GLY C C 176.807 0.3 1 20 . 9 GLY CA C 45.305 0.3 1 21 . 9 GLY N N 110.68 0.2 1 22 . 10 ARG H H 8.064 0.02 1 23 . 10 ARG C C 173.95 0.3 1 24 . 10 ARG CA C 55.725 0.3 1 25 . 10 ARG CB C 31.024 0.3 2 26 . 10 ARG CG C 26.79 0.3 2 27 . 10 ARG CD C 43.277 0.3 1 28 . 10 ARG N N 120.666 0.2 1 29 . 11 ALA HB H 1.393 0.02 1 30 . 11 ALA C C 175.99 0.3 1 31 . 11 ALA CA C 52.501 0.3 1 32 . 11 ALA CB C 19.362 0.3 1 33 . 11 ALA N N 125.979 0.2 1 34 . 12 SER H H 8.188 0.02 1 35 . 12 SER HA H 4.393 0.02 1 36 . 12 SER HB2 H 3.828 0.02 1 37 . 12 SER HB3 H 3.828 0.02 1 38 . 12 SER C C 177.61 0.3 1 39 . 12 SER CA C 58.055 0.3 1 40 . 12 SER CB C 63.763 0.3 1 41 . 12 SER N N 115.255 0.2 1 42 . 13 GLU H H 8.194 0.02 1 43 . 13 GLU HA H 4.6 0.02 1 44 . 13 GLU HB2 H 2 0.02 1 45 . 13 GLU HB3 H 2 0.02 1 46 . 13 GLU C C 173.99 0.3 1 47 . 13 GLU CA C 54.246 0.3 1 48 . 13 GLU CB C 29.84 0.3 1 49 . 13 GLU N N 123.715 0.2 1 50 . 15 PRO CA C 62.727 0.3 1 51 . 15 PRO CB C 31.987 0.3 1 52 . 15 PRO CG C 27.205 0.3 1 53 . 15 PRO CD C 50.442 0.3 1 54 . 16 ALA H H 8.347 0.02 1 55 . 16 ALA HB H 1.357 0.02 1 56 . 16 ALA C C 176.62 0.3 1 57 . 16 ALA CA C 52.265 0.3 1 58 . 16 ALA CB C 19.476 0.3 1 59 . 16 ALA N N 125.026 0.2 1 60 . 17 ASP H H 8.22 0.02 1 61 . 17 ASP HA H 4.591 0.02 1 62 . 17 ASP HB2 H 2.617 0.02 1 63 . 17 ASP HB3 H 2.617 0.02 1 64 . 17 ASP CA C 54.059 0.3 1 65 . 17 ASP CB C 41.725 0.3 1 66 . 17 ASP N N 119.262 0.2 1 67 . 18 GLY H H 8.141 0.02 1 68 . 18 GLY HA2 H 4.048 0.02 1 69 . 18 GLY HA3 H 4.048 0.02 1 70 . 18 GLY C C 176.24 0.3 1 71 . 18 GLY CA C 45.044 0.3 1 72 . 18 GLY N N 108.589 0.2 1 73 . 19 GLY H H 8.242 0.02 1 74 . 19 GLY HA2 H 4.209 0.02 1 75 . 19 GLY HA3 H 4.209 0.02 1 76 . 19 GLY C C 173.57 0.3 1 77 . 19 GLY CA C 45.295 0.3 1 78 . 19 GLY N N 108.33 0.2 1 79 . 20 GLN H H 8.265 0.02 1 80 . 20 GLN HA H 4.948 0.02 1 81 . 20 GLN HE21 H 7.32 0.02 1 82 . 20 GLN HE22 H 6.81 0.02 1 83 . 20 GLN CA C 55.643 0.3 1 84 . 20 GLN CB C 29.73 0.3 1 85 . 20 GLN CD C 179.9 0.3 1 86 . 20 GLN N N 119.202 0.2 1 87 . 20 GLN NE2 N 113.8 0.2 1 88 . 21 ILE H H 9.217 0.02 1 89 . 21 ILE HA H 4.32 0.02 1 90 . 21 ILE HB H 1.526 0.02 1 91 . 21 ILE C C 174.11 0.3 1 92 . 21 ILE CA C 62.616 0.3 1 93 . 21 ILE CB C 32.195 0.3 1 94 . 21 ILE CG1 C 21.063 0.3 1 95 . 21 ILE N N 123.846 0.2 1 96 . 22 LYS H H 9.173 0.02 1 97 . 22 LYS HA H 4.998 0.02 1 98 . 22 LYS HB2 H 1.75 0.02 1 99 . 22 LYS HB3 H 1.75 0.02 1 100 . 22 LYS HE2 H 2.833 0.02 1 101 . 22 LYS HE3 H 2.833 0.02 1 102 . 22 LYS C C 173.36 0.3 1 103 . 22 LYS CA C 54.777 0.3 1 104 . 22 LYS CB C 35.746 0.3 1 105 . 22 LYS CG C 24.63 0.3 1 106 . 22 LYS CD C 29.919 0.3 1 107 . 22 LYS CE C 41.802 0.3 1 108 . 22 LYS N N 128.081 0.2 1 109 . 23 GLY H H 9.936 0.02 1 110 . 23 GLY HA2 H 3.696 0.02 1 111 . 23 GLY HA3 H 3.696 0.02 1 112 . 23 GLY C C 176.78 0.3 1 113 . 23 GLY CA C 46.764 0.3 1 114 . 23 GLY N N 115.983 0.2 1 115 . 24 VAL H H 8.332 0.02 1 116 . 24 VAL HA H 3.466 0.02 1 117 . 24 VAL HB H 1.656 0.02 1 118 . 24 VAL HG1 H 0.759 0.02 1 119 . 24 VAL HG2 H 0.759 0.02 1 120 . 24 VAL C C 175.11 0.3 1 121 . 24 VAL CA C 65.786 0.3 1 122 . 24 VAL CB C 31.839 0.3 1 123 . 24 VAL CG1 C 23.095 0.3 2 124 . 24 VAL CG2 C 20.424 0.3 2 125 . 24 VAL N N 128.567 0.2 1 126 . 25 GLY H H 7.357 0.02 1 127 . 25 GLY HA2 H 3.361 0.02 1 128 . 25 GLY HA3 H 3.361 0.02 1 129 . 25 GLY C C 178.253 0.3 1 130 . 25 GLY CA C 47 0.3 1 131 . 25 GLY N N 104.465 0.2 1 132 . 26 SER H H 7.779 0.02 1 133 . 26 SER HA H 4.123 0.02 1 134 . 26 SER HB2 H 3.825 0.02 1 135 . 26 SER HB3 H 3.825 0.02 1 136 . 26 SER C C 174.17 0.3 1 137 . 26 SER CA C 58.553 0.3 1 138 . 26 SER CB C 65.153 0.3 1 139 . 26 SER N N 110.684 0.2 1 140 . 27 GLY H H 8.116 0.02 1 141 . 27 GLY HA2 H 4.041 0.02 1 142 . 27 GLY HA3 H 4.041 0.02 1 143 . 27 GLY C C 174.52 0.3 1 144 . 27 GLY CA C 46.237 0.3 1 145 . 27 GLY N N 112.862 0.2 1 146 . 28 ARG H H 8.016 0.02 1 147 . 28 ARG HA H 4.644 0.02 1 148 . 28 ARG HD2 H 3.408 0.02 1 149 . 28 ARG HD3 H 3.408 0.02 1 150 . 28 ARG C C 173.21 0.3 1 151 . 28 ARG CA C 56.239 0.3 1 152 . 28 ARG CB C 33.754 0.3 1 153 . 28 ARG CG C 31.018 0.3 1 154 . 28 ARG CD C 42.534 0.3 1 155 . 28 ARG N N 119.392 0.2 1 156 . 29 CYS H H 8.797 0.02 1 157 . 29 CYS HA H 5.474 0.02 1 158 . 29 CYS HB2 H 3.467 0.02 1 159 . 29 CYS HB3 H 3.467 0.02 1 160 . 29 CYS C C 173.18 0.3 1 161 . 29 CYS CA C 60.635 0.3 1 162 . 29 CYS CB C 43.495 0.3 1 163 . 29 CYS N N 119.088 0.2 1 164 . 30 LEU H H 8.608 0.02 1 165 . 30 LEU HA H 4.266 0.02 1 166 . 30 LEU C C 174.03 0.3 1 167 . 30 LEU CA C 56.3 0.3 1 168 . 30 LEU CB C 42.61 0.3 1 169 . 30 LEU CG C 26.206 0.3 1 170 . 30 LEU CD1 C 23.668 0.3 1 171 . 30 LEU N N 120.823 0.2 1 172 . 31 ASP H H 9.501 0.02 1 173 . 31 ASP HA H 5.171 0.02 1 174 . 31 ASP HB2 H 2.699 0.02 1 175 . 31 ASP HB3 H 2.699 0.02 1 176 . 31 ASP C C 176.63 0.3 1 177 . 31 ASP CA C 54.491 0.3 1 178 . 31 ASP CB C 48.64 0.3 1 179 . 31 ASP N N 134.222 0.2 1 180 . 32 VAL H H 7.645 0.02 1 181 . 32 VAL C C 173.892 0.3 1 182 . 32 VAL CA C 60 0.3 1 183 . 32 VAL CB C 32.227 0.3 1 184 . 32 VAL N N 123.399 0.2 1 185 . 33 PRO HA H 4.513 0.02 1 186 . 33 PRO HD2 H 3.658 0.02 1 187 . 33 PRO HD3 H 3.658 0.02 1 188 . 33 PRO CA C 63.984 0.3 1 189 . 33 PRO CB C 31.742 0.3 1 190 . 33 PRO CG C 26.923 0.3 1 191 . 33 PRO CD C 52.476 0.3 1 192 . 34 ASP H H 9.317 0.02 1 193 . 34 ASP HA H 4.041 0.02 1 194 . 34 ASP HB2 H 2.535 0.02 1 195 . 34 ASP HB3 H 2.535 0.02 1 196 . 34 ASP C C 177.83 0.3 1 197 . 34 ASP CA C 55.346 0.3 1 198 . 34 ASP CB C 39.668 0.3 1 199 . 34 ASP N N 122.125 0.2 1 200 . 35 ALA H H 8.247 0.02 1 201 . 35 ALA HA H 3.822 0.02 1 202 . 35 ALA HB H 1.311 0.02 1 203 . 35 ALA C C 175.22 0.3 1 204 . 35 ALA CA C 52.977 0.3 1 205 . 35 ALA CB C 16.291 0.3 1 206 . 35 ALA N N 117.371 0.2 1 207 . 36 SER H H 7.412 0.02 1 208 . 36 SER HA H 4.101 0.02 1 209 . 36 SER HB2 H 3.635 0.02 1 210 . 36 SER HB3 H 3.635 0.02 1 211 . 36 SER C C 176.25 0.3 1 212 . 36 SER CA C 58.259 0.3 1 213 . 36 SER CB C 64.39 0.3 1 214 . 36 SER N N 110.789 0.2 1 215 . 37 THR H H 8.276 0.02 1 216 . 37 THR HA H 4.259 0.02 1 217 . 37 THR HB H 4.259 0.02 1 218 . 37 THR HG2 H 0.374 0.02 1 219 . 37 THR C C 175.72 0.3 1 220 . 37 THR CA C 60.221 0.3 1 221 . 37 THR CB C 68.759 0.3 1 222 . 37 THR CG2 C 21.219 0.3 1 223 . 37 THR N N 114.494 0.2 1 224 . 38 SER H H 8.148 0.02 1 225 . 38 SER HA H 4.23 0.02 1 226 . 38 SER HB2 H 3.69 0.02 1 227 . 38 SER HB3 H 3.69 0.02 1 228 . 38 SER C C 174.27 0.3 1 229 . 38 SER CA C 58.391 0.3 1 230 . 38 SER CB C 63.01 0.3 1 231 . 38 SER N N 118.183 0.2 1 232 . 39 ASP H H 8.698 0.02 1 233 . 39 ASP HA H 4.183 0.02 1 234 . 39 ASP HB2 H 2.212 0.02 1 235 . 39 ASP HB3 H 2.212 0.02 1 236 . 39 ASP C C 174.72 0.3 1 237 . 39 ASP CA C 55.865 0.3 1 238 . 39 ASP CB C 39.489 0.3 1 239 . 39 ASP N N 128.448 0.2 1 240 . 40 GLY H H 9.134 0.02 1 241 . 40 GLY HA2 H 4.342 0.02 1 242 . 40 GLY HA3 H 4.342 0.02 1 243 . 40 GLY C C 177.365 0.3 1 244 . 40 GLY CA C 44.475 0.3 1 245 . 40 GLY N N 109.812 0.2 1 246 . 41 THR H H 7.256 0.02 1 247 . 41 THR HA H 4.092 0.02 2 248 . 41 THR HB H 3.957 0.02 2 249 . 41 THR HG2 H 1.336 0.02 1 250 . 41 THR C C 174.22 0.3 1 251 . 41 THR CA C 64.233 0.3 1 252 . 41 THR CB C 69.129 0.3 1 253 . 41 THR CG2 C 21.742 0.3 1 254 . 41 THR N N 117.365 0.2 1 255 . 42 GLN H H 8.854 0.02 1 256 . 42 GLN HA H 4.587 0.02 1 257 . 42 GLN HE21 H 8.18 0.02 2 258 . 42 GLN HE22 H 7.41 0.02 2 259 . 42 GLN C C 173.38 0.3 1 260 . 42 GLN CA C 56.279 0.3 1 261 . 42 GLN CB C 27.996 0.3 1 262 . 42 GLN CG C 33.741 0.3 1 263 . 42 GLN CD C 179.6 0.3 1 264 . 42 GLN N N 129.631 0.2 1 265 . 42 GLN NE2 N 110.5 0.2 1 266 . 43 LEU H H 7.882 0.02 1 267 . 43 LEU HA H 4.43 0.02 1 268 . 43 LEU C C 174.772 0.3 1 269 . 43 LEU CA C 53.519 0.3 1 270 . 43 LEU CB C 42.634 0.3 1 271 . 43 LEU CG C 28.251 0.3 1 272 . 43 LEU CD1 C 25.212 0.3 2 273 . 43 LEU CD2 C 26.956 0.3 2 274 . 43 LEU N N 124.579 0.2 1 275 . 44 GLN H H 8.137 0.02 1 276 . 44 GLN HA H 5.798 0.02 1 277 . 44 GLN C C 175.5 0.3 1 278 . 44 GLN CA C 52.486 0.3 1 279 . 44 GLN CB C 33.251 0.3 1 280 . 44 GLN CG C 31.259 0.3 1 281 . 44 GLN N N 112.969 0.2 1 282 . 45 LEU H H 8.531 0.02 1 283 . 45 LEU HA H 5.137 0.02 1 284 . 45 LEU C C 174.755 0.3 1 285 . 45 LEU CA C 53.3 0.3 1 286 . 45 LEU CB C 45.08 0.3 1 287 . 45 LEU CG C 22.487 0.3 1 288 . 45 LEU CD1 C 25.457 0.3 1 289 . 45 LEU N N 116.786 0.2 1 290 . 46 TRP H H 9.345 0.02 1 291 . 46 TRP HB2 H 2.978 0.02 1 292 . 46 TRP HB3 H 2.978 0.02 1 293 . 46 TRP C C 178.21 0.3 1 294 . 46 TRP CA C 56.537 0.3 1 295 . 46 TRP CB C 34.216 0.3 1 296 . 46 TRP N N 122.512 0.2 1 297 . 47 ASP H H 7.437 0.02 1 298 . 47 ASP HA H 4.48 0.02 1 299 . 47 ASP HB2 H 2.782 0.02 1 300 . 47 ASP HB3 H 2.782 0.02 1 301 . 47 ASP C C 173.5 0.3 1 302 . 47 ASP CA C 56.518 0.3 1 303 . 47 ASP CB C 41.933 0.3 1 304 . 47 ASP N N 127.172 0.2 1 305 . 48 CYS H H 9.045 0.02 1 306 . 48 CYS HA H 5.216 0.02 1 307 . 48 CYS HB2 H 3.226 0.02 1 308 . 48 CYS HB3 H 3.226 0.02 1 309 . 48 CYS C C 175.639 0.3 1 310 . 48 CYS CA C 57.02 0.3 1 311 . 48 CYS CB C 45.369 0.3 1 312 . 48 CYS N N 122.604 0.2 1 313 . 49 HIS H H 9.63 0.02 1 314 . 49 HIS HA H 4.944 0.02 1 315 . 49 HIS HB2 H 3.355 0.02 1 316 . 49 HIS HB3 H 3.355 0.02 1 317 . 49 HIS C C 175.95 0.3 1 318 . 49 HIS CA C 55.248 0.3 1 319 . 49 HIS CB C 31.487 0.3 1 320 . 49 HIS N N 123.477 0.2 1 321 . 50 SER H H 8.371 0.02 1 322 . 50 SER HA H 4.399 0.02 1 323 . 50 SER HB2 H 3.988 0.02 1 324 . 50 SER HB3 H 3.988 0.02 1 325 . 50 SER C C 174.81 0.3 1 326 . 50 SER CA C 59.044 0.3 1 327 . 50 SER CB C 63.285 0.3 1 328 . 50 SER N N 113.059 0.2 1 329 . 51 GLY H H 10.326 0.02 1 330 . 51 GLY HA2 H 4.208 0.02 1 331 . 51 GLY HA3 H 4.208 0.02 1 332 . 51 GLY C C 175.33 0.3 1 333 . 51 GLY CA C 45.035 0.3 1 334 . 51 GLY N N 114.081 0.2 1 335 . 52 THR H H 8.814 0.02 1 336 . 52 THR HA H 4.283 0.02 2 337 . 52 THR HB H 3.831 0.02 2 338 . 52 THR HG2 H 1.361 0.02 1 339 . 52 THR C C 176.37 0.3 1 340 . 52 THR CA C 64.914 0.3 1 341 . 52 THR CB C 68.63 0.3 1 342 . 52 THR N N 115.41 0.2 1 343 . 53 ASN H H 8.767 0.02 1 344 . 53 ASN HA H 3.989 0.02 1 345 . 53 ASN HB2 H 3.247 0.02 1 346 . 53 ASN HB3 H 3.247 0.02 1 347 . 53 ASN HD21 H 8.16 0.02 1 348 . 53 ASN HD22 H 7.13 0.02 1 349 . 53 ASN C C 175.27 0.3 1 350 . 53 ASN CA C 54.486 0.3 1 351 . 53 ASN CB C 37.137 0.3 1 352 . 53 ASN CG C 177.5 0.3 1 353 . 53 ASN N N 116.558 0.2 1 354 . 53 ASN ND2 N 119.4 0.2 1 355 . 54 GLN H H 7.079 0.02 1 356 . 54 GLN HA H 4.837 0.02 1 357 . 54 GLN HE21 H 8.9 0.02 1 358 . 54 GLN HE22 H 6.97 0.02 1 359 . 54 GLN C C 172.297 0.3 1 360 . 54 GLN CA C 54.517 0.3 1 361 . 54 GLN CB C 30.884 0.3 1 362 . 54 GLN CG C 33.243 0.3 1 363 . 54 GLN CD C 178.7 0.3 1 364 . 54 GLN N N 114.976 0.2 1 365 . 54 GLN NE2 N 109.9 0.2 1 366 . 55 GLN H H 6.635 0.02 1 367 . 55 GLN HA H 4.184 0.02 1 368 . 55 GLN HE21 H 7.32 0.02 1 369 . 55 GLN HE22 H 6.65 0.02 1 370 . 55 GLN C C 175.44 0.3 1 371 . 55 GLN CA C 54.494 0.3 1 372 . 55 GLN CB C 29.077 0.3 1 373 . 55 GLN CG C 33.029 0.3 1 374 . 55 GLN CD C 179.7 0.3 1 375 . 55 GLN N N 119.397 0.2 1 376 . 55 GLN NE2 N 112 0.2 1 377 . 56 TRP H H 8.888 0.02 1 378 . 56 TRP HA H 4.942 0.02 1 379 . 56 TRP HB2 H 2.65 0.02 1 380 . 56 TRP HB3 H 2.65 0.02 1 381 . 56 TRP C C 173.42 0.3 1 382 . 56 TRP CA C 54.832 0.3 1 383 . 56 TRP CB C 31.233 0.3 1 384 . 56 TRP N N 124.989 0.2 1 385 . 57 ALA H H 9.748 0.02 1 386 . 57 ALA HA H 4.754 0.02 1 387 . 57 ALA HB H 1.249 0.02 1 388 . 57 ALA C C 176 0.3 1 389 . 57 ALA CA C 50.469 0.3 1 390 . 57 ALA CB C 20.983 0.3 1 391 . 57 ALA N N 129.091 0.2 1 392 . 58 ALA H H 8.6 0.02 1 393 . 58 ALA HA H 5.439 0.02 1 394 . 58 ALA HB H 1.339 0.02 1 395 . 58 ALA C C 176 0.3 1 396 . 58 ALA CA C 50.724 0.3 1 397 . 58 ALA CB C 19.123 0.3 1 398 . 58 ALA N N 127.284 0.2 1 399 . 59 THR H H 8.189 0.02 1 400 . 59 THR HA H 4.921 0.02 2 401 . 59 THR HB H 4.781 0.02 2 402 . 59 THR HG2 H 1.249 0.02 1 403 . 59 THR C C 178.6 0.3 1 404 . 59 THR CA C 59.115 0.3 1 405 . 59 THR CB C 72.285 0.3 1 406 . 59 THR CG2 C 21.286 0.3 1 407 . 59 THR N N 111.88 0.2 1 408 . 60 ASP H H 9.133 0.02 1 409 . 60 ASP HA H 4.454 0.02 1 410 . 60 ASP HB2 H 2.704 0.02 1 411 . 60 ASP HB3 H 2.704 0.02 1 412 . 60 ASP C C 177.1 0.3 1 413 . 60 ASP CA C 56.525 0.3 1 414 . 60 ASP CB C 40.023 0.3 1 415 . 60 ASP N N 123.114 0.2 1 416 . 61 ALA H H 7.597 0.02 1 417 . 61 ALA HA H 4.406 0.02 1 418 . 61 ALA HB H 1.279 0.02 1 419 . 61 ALA C C 176.65 0.3 1 420 . 61 ALA CA C 51.873 0.3 1 421 . 61 ALA CB C 18.752 0.3 1 422 . 61 ALA N N 120.03 0.2 1 423 . 62 GLY H H 8.084 0.02 1 424 . 62 GLY HA2 H 4.291 0.02 1 425 . 62 GLY HA3 H 4.291 0.02 1 426 . 62 GLY C C 176.881 0.3 1 427 . 62 GLY CA C 45.469 0.3 1 428 . 62 GLY N N 106.242 0.2 1 429 . 63 GLU H H 7.171 0.02 1 430 . 63 GLU HA H 5.025 0.02 1 431 . 63 GLU C C 174.15 0.3 1 432 . 63 GLU CA C 54.272 0.3 1 433 . 63 GLU CB C 32.261 0.3 1 434 . 63 GLU CG C 35.246 0.3 1 435 . 63 GLU N N 116.562 0.2 1 436 . 64 LEU H H 9.335 0.02 1 437 . 64 LEU HA H 5.025 0.02 1 438 . 64 LEU C C 177.545 0.3 1 439 . 64 LEU CA C 55.288 0.3 1 440 . 64 LEU CB C 44.509 0.3 1 441 . 64 LEU CG C 23.928 0.3 1 442 . 64 LEU CD1 C 27.347 0.3 1 443 . 64 LEU N N 123.938 0.2 1 444 . 65 ARG H H 9.396 0.02 1 445 . 65 ARG HA H 5.63 0.02 1 446 . 65 ARG HD2 H 2.949 0.02 1 447 . 65 ARG HD3 H 2.949 0.02 1 448 . 65 ARG C C 175.02 0.3 1 449 . 65 ARG CA C 55.472 0.3 1 450 . 65 ARG CB C 34.751 0.3 1 451 . 65 ARG CG C 29.327 0.3 1 452 . 65 ARG CD C 44.277 0.3 1 453 . 65 ARG N N 121.9 0.2 1 454 . 66 VAL H H 8.813 0.02 1 455 . 66 VAL HA H 4.068 0.02 1 456 . 66 VAL C C 175.47 0.3 1 457 . 66 VAL CA C 58.966 0.3 1 458 . 66 VAL CB C 33.391 0.3 1 459 . 66 VAL CG1 C 19.776 0.3 1 460 . 66 VAL CG2 C 19.776 0.3 1 461 . 66 VAL N N 123.482 0.2 1 462 . 67 TYR H H 8.709 0.02 1 463 . 67 TYR HA H 4.127 0.02 1 464 . 67 TYR HB2 H 3.363 0.02 1 465 . 67 TYR HB3 H 3.363 0.02 1 466 . 67 TYR C C 172.94 0.3 1 467 . 67 TYR CA C 57.335 0.3 1 468 . 67 TYR CB C 37.173 0.3 1 469 . 67 TYR N N 118.626 0.2 1 470 . 68 GLY H H 8.435 0.02 1 471 . 68 GLY HA2 H 4.453 0.02 1 472 . 68 GLY HA3 H 4.453 0.02 1 473 . 68 GLY C C 176.62 0.3 1 474 . 68 GLY CA C 46.524 0.3 1 475 . 68 GLY N N 109.354 0.2 1 476 . 69 ASP H H 8.012 0.02 1 477 . 69 ASP HA H 4.646 0.02 1 478 . 69 ASP HB2 H 2.949 0.02 1 479 . 69 ASP HB3 H 2.949 0.02 1 480 . 69 ASP C C 175.59 0.3 1 481 . 69 ASP CA C 53.76 0.3 1 482 . 69 ASP CB C 41.681 0.3 1 483 . 69 ASP N N 118.979 0.2 1 484 . 70 LYS H H 8.202 0.02 1 485 . 70 LYS HA H 4.951 0.02 1 486 . 70 LYS HE2 H 3.033 0.02 1 487 . 70 LYS HE3 H 3.033 0.02 1 488 . 70 LYS C C 175.83 0.3 1 489 . 70 LYS CA C 53.602 0.3 1 490 . 70 LYS CB C 33.285 0.3 1 491 . 70 LYS CG C 24.91 0.3 1 492 . 70 LYS CD C 28.515 0.3 1 493 . 70 LYS CE C 42.467 0.3 1 494 . 70 LYS N N 118.381 0.2 1 495 . 71 CYS H H 9.072 0.02 1 496 . 71 CYS HA H 5.351 0.02 1 497 . 71 CYS HB2 H 3.154 0.02 1 498 . 71 CYS HB3 H 3.154 0.02 1 499 . 71 CYS C C 175.15 0.3 1 500 . 71 CYS CA C 60.048 0.3 1 501 . 71 CYS CB C 41.982 0.3 1 502 . 71 CYS N N 120.009 0.2 1 503 . 72 LEU H H 9.004 0.02 1 504 . 72 LEU HA H 4.343 0.02 1 505 . 72 LEU C C 174.35 0.3 1 506 . 72 LEU CA C 56.818 0.3 1 507 . 72 LEU CB C 42.232 0.3 1 508 . 72 LEU CG C 24.232 0.3 1 509 . 72 LEU CD1 C 25.348 0.3 1 510 . 73 ASP H H 9.722 0.02 1 511 . 73 ASP HA H 5.301 0.02 1 512 . 73 ASP HB2 H 2.702 0.02 1 513 . 73 ASP HB3 H 2.702 0.02 1 514 . 73 ASP C C 178.21 0.3 1 515 . 73 ASP CA C 54.874 0.3 1 516 . 73 ASP CB C 47.433 0.3 1 517 . 73 ASP N N 135.027 0.2 1 518 . 74 ALA H H 8.48 0.02 1 519 . 74 ALA HA H 5.002 0.02 1 520 . 74 ALA HB H 1.631 0.02 1 521 . 74 ALA C C 173.19 0.3 1 522 . 74 ALA CA C 50.902 0.3 1 523 . 74 ALA CB C 21.493 0.3 1 524 . 74 ALA N N 127.986 0.2 1 525 . 75 ALA H H 8.616 0.02 1 526 . 75 ALA HA H 4.48 0.02 1 527 . 75 ALA HB H 1.415 0.02 1 528 . 75 ALA C C 176.82 0.3 1 529 . 75 ALA CA C 52.227 0.3 1 530 . 75 ALA CB C 19.259 0.3 1 531 . 75 ALA N N 125.917 0.2 1 532 . 76 GLY H H 7.321 0.02 1 533 . 76 GLY HA2 H 4.261 0.02 1 534 . 76 GLY HA3 H 4.261 0.02 1 535 . 76 GLY C C 176.535 0.3 1 536 . 76 GLY CA C 44.762 0.3 1 537 . 76 GLY N N 104.947 0.2 1 538 . 77 THR H H 8.396 0.02 1 539 . 77 THR HA H 4.26 0.02 1 540 . 77 THR HB H 4.26 0.02 1 541 . 77 THR HG2 H 0.892 0.02 1 542 . 77 THR C C 173.387 0.3 1 543 . 77 THR CA C 60.187 0.3 1 544 . 77 THR CB C 69.123 0.3 1 545 . 77 THR CG2 C 20.14 0.3 1 546 . 77 THR N N 106.303 0.2 1 547 . 78 SER H H 7.307 0.02 1 548 . 78 SER HA H 4.644 0.02 1 549 . 78 SER HB2 H 3.77 0.02 1 550 . 78 SER HB3 H 3.77 0.02 1 551 . 78 SER C C 172.98 0.3 1 552 . 78 SER CA C 56.374 0.3 1 553 . 78 SER CB C 65.769 0.3 1 554 . 78 SER N N 113.5 0.2 1 555 . 79 ASN H H 8.819 0.02 1 556 . 79 ASN HA H 4.262 0.02 1 557 . 79 ASN HB2 H 2.56 0.02 1 558 . 79 ASN HB3 H 2.56 0.02 1 559 . 79 ASN HD21 H 8.05 0.02 1 560 . 79 ASN HD22 H 6.52 0.02 1 561 . 79 ASN C C 175.11 0.3 1 562 . 79 ASN CA C 54.254 0.3 1 563 . 79 ASN CB C 37.788 0.3 1 564 . 79 ASN CG C 177.93 0.3 1 565 . 79 ASN N N 122.377 0.2 1 566 . 79 ASN ND2 N 117.9 0.2 1 567 . 80 GLY H H 9.338 0.02 1 568 . 80 GLY HA2 H 4.315 0.02 1 569 . 80 GLY HA3 H 4.315 0.02 1 570 . 80 GLY C C 177.355 0.3 1 571 . 80 GLY CA C 44.65 0.3 1 572 . 80 GLY N N 112.22 0.2 1 573 . 81 SER H H 7.898 0.02 1 574 . 81 SER HA H 4.318 0.02 1 575 . 81 SER HB2 H 3.685 0.02 1 576 . 81 SER HB3 H 3.685 0.02 1 577 . 81 SER C C 175.22 0.3 1 578 . 81 SER CA C 60.942 0.3 1 579 . 81 SER CB C 64.351 0.3 1 580 . 81 SER N N 117.6 0.2 1 581 . 82 LYS H H 8.627 0.02 1 582 . 82 LYS HA H 4.095 0.02 1 583 . 82 LYS HE2 H 3.098 0.02 1 584 . 82 LYS HE3 H 3.098 0.02 1 585 . 82 LYS C C 172.72 0.3 1 586 . 82 LYS CA C 57.875 0.3 1 587 . 82 LYS CB C 34.132 0.3 1 588 . 82 LYS CG C 25.356 0.3 1 589 . 82 LYS CD C 30.009 0.3 1 590 . 82 LYS CE C 41.994 0.3 1 591 . 82 LYS N N 122.613 0.2 1 592 . 83 VAL H H 6.884 0.02 1 593 . 83 VAL HA H 4.752 0.02 1 594 . 83 VAL HB H 1.555 0.02 1 595 . 83 VAL HG1 H 0.817 0.02 1 596 . 83 VAL HG2 H 0.817 0.02 1 597 . 83 VAL C C 174.55 0.3 1 598 . 83 VAL CA C 61.908 0.3 1 599 . 83 VAL CB C 32.23 0.3 1 600 . 83 VAL CG1 C 21.986 0.3 1 601 . 83 VAL CG2 C 21.986 0.3 1 602 . 83 VAL N N 121.036 0.2 1 603 . 84 GLN H H 9.516 0.02 1 604 . 84 GLN HA H 5.679 0.02 1 605 . 84 GLN HE21 H 7.86 0.02 1 606 . 84 GLN HE22 H 6.58 0.02 1 607 . 84 GLN C C 173.97 0.3 1 608 . 84 GLN CA C 53.495 0.3 1 609 . 84 GLN CB C 33.082 0.3 1 610 . 84 GLN CG C 30.881 0.3 1 611 . 84 GLN CD C 178.6 0.3 1 612 . 84 GLN N N 126.017 0.2 1 613 . 84 GLN NE2 N 110.3 0.2 1 614 . 85 ILE H H 7.563 0.02 1 615 . 85 ILE HA H 5.516 0.02 1 616 . 85 ILE HB H 1.581 0.02 1 617 . 85 ILE C C 175.24 0.3 1 618 . 85 ILE CA C 59.656 0.3 1 619 . 85 ILE CB C 42.617 0.3 1 620 . 85 ILE CG1 C 26.468 0.3 1 621 . 85 ILE N N 108.702 0.2 1 622 . 86 TYR H H 8.841 0.02 1 623 . 86 TYR HA H 4.46 0.02 1 624 . 86 TYR HB2 H 2.952 0.02 1 625 . 86 TYR HB3 H 2.952 0.02 1 626 . 86 TYR C C 176.19 0.3 1 627 . 86 TYR CA C 58.406 0.3 1 628 . 86 TYR CB C 45.38 0.3 1 629 . 86 TYR N N 124.146 0.2 1 630 . 87 SER H H 7.897 0.02 1 631 . 87 SER HA H 4.479 0.02 1 632 . 87 SER HB2 H 3.985 0.02 1 633 . 87 SER HB3 H 3.985 0.02 1 634 . 87 SER C C 175.67 0.3 1 635 . 87 SER CA C 61.242 0.3 1 636 . 87 SER CB C 63.537 0.3 1 637 . 87 SER N N 122.015 0.2 1 638 . 88 CYS H H 8.343 0.02 1 639 . 88 CYS HA H 5.09 0.02 1 640 . 88 CYS HB2 H 3.082 0.02 1 641 . 88 CYS HB3 H 3.082 0.02 1 642 . 88 CYS C C 174.33 0.3 1 643 . 88 CYS CA C 56.287 0.3 1 644 . 88 CYS CB C 43.867 0.3 1 645 . 88 CYS N N 124.36 0.2 1 646 . 89 TRP H H 9.208 0.02 1 647 . 89 TRP HA H 5.08 0.02 1 648 . 89 TRP HB2 H 3.664 0.02 1 649 . 89 TRP HB3 H 3.664 0.02 1 650 . 89 TRP C C 176.28 0.3 1 651 . 89 TRP CA C 56.009 0.3 1 652 . 89 TRP CB C 30.508 0.3 1 653 . 89 TRP N N 122.198 0.2 1 654 . 89 TRP NE1 N 132.098 0.2 1 655 . 90 GLY H H 8.789 0.02 1 656 . 90 GLY HA2 H 4.071 0.02 1 657 . 90 GLY HA3 H 4.071 0.02 1 658 . 90 GLY C C 176.47 0.3 1 659 . 90 GLY CA C 45.303 0.3 1 660 . 90 GLY N N 111.7 0.2 1 661 . 91 GLY H H 5.461 0.02 1 662 . 91 GLY HA2 H 3.356 0.02 1 663 . 91 GLY HA3 H 3.356 0.02 1 664 . 91 GLY C C 174.1 0.3 1 665 . 91 GLY CA C 44.742 0.3 1 666 . 91 GLY N N 103.818 0.2 1 667 . 92 ASP H H 8.998 0.02 1 668 . 92 ASP HA H 4.048 0.02 1 669 . 92 ASP HB2 H 2.321 0.02 1 670 . 92 ASP HB3 H 2.321 0.02 1 671 . 92 ASP C C 176.05 0.3 1 672 . 92 ASP CA C 57.115 0.3 1 673 . 92 ASP CB C 39.609 0.3 1 674 . 92 ASP N N 123.715 0.2 1 675 . 93 ASN H H 8.612 0.02 1 676 . 93 ASN HA H 4.23 0.02 1 677 . 93 ASN HB2 H 3.359 0.02 1 678 . 93 ASN HB3 H 3.359 0.02 1 679 . 93 ASN HD21 H 7.47 0.02 1 680 . 93 ASN HD22 H 6.81 0.02 1 681 . 93 ASN C C 176.92 0.3 1 682 . 93 ASN CA C 55.001 0.3 1 683 . 93 ASN CB C 36.121 0.3 1 684 . 93 ASN CG C 177.64 0.3 1 685 . 93 ASN N N 116.517 0.2 1 686 . 93 ASN ND2 N 118.1 0.2 1 687 . 94 GLN H H 7.309 0.02 1 688 . 94 GLN HA H 5.111 0.02 1 689 . 94 GLN HE21 H 9.76 0.02 1 690 . 94 GLN HE22 H 7.47 0.02 1 691 . 94 GLN C C 174.097 0.3 1 692 . 94 GLN CA C 53.577 0.3 1 693 . 94 GLN CB C 28.833 0.3 1 694 . 94 GLN CG C 33.38 0.3 1 695 . 94 GLN CD C 180.8 0.3 1 696 . 94 GLN N N 117.999 0.2 1 697 . 94 GLN NE2 N 114.9 0.2 1 698 . 95 LYS H H 6.558 0.02 1 699 . 95 LYS HA H 4.812 0.02 1 700 . 95 LYS HE2 H 2.818 0.02 1 701 . 95 LYS HE3 H 2.818 0.02 1 702 . 95 LYS C C 173.96 0.3 1 703 . 95 LYS CA C 54.661 0.3 1 704 . 95 LYS CB C 34.674 0.3 1 705 . 95 LYS CG C 25.256 0.3 1 706 . 95 LYS CD C 29.013 0.3 1 707 . 95 LYS CE C 42.38 0.3 1 708 . 95 LYS N N 117.81 0.2 1 709 . 96 TRP H H 9.375 0.02 1 710 . 96 TRP HA H 5.134 0.02 1 711 . 96 TRP HB2 H 2.761 0.02 1 712 . 96 TRP HB3 H 2.761 0.02 1 713 . 96 TRP C C 175.79 0.3 1 714 . 96 TRP CA C 55.888 0.3 1 715 . 96 TRP CB C 32.857 0.3 1 716 . 96 TRP N N 124.586 0.2 1 717 . 97 ARG H H 9.723 0.02 1 718 . 97 ARG HA H 4.537 0.02 1 719 . 97 ARG HD2 H 3.164 0.02 1 720 . 97 ARG HD3 H 3.164 0.02 1 721 . 97 ARG C C 174.98 0.3 1 722 . 97 ARG CA C 54.675 0.3 1 723 . 97 ARG CB C 31.823 0.3 1 724 . 97 ARG CD C 43.305 0.3 1 725 . 97 ARG N N 124.217 0.2 1 726 . 98 LEU H H 8.68 0.02 1 727 . 98 LEU HA H 4.731 0.02 1 728 . 98 LEU C C 174.39 0.3 1 729 . 98 LEU CA C 54.438 0.3 1 730 . 98 LEU CB C 39.476 0.3 1 731 . 98 LEU CG C 27.897 0.3 1 732 . 98 LEU CD1 C 24.877 0.3 1 733 . 98 LEU N N 126.978 0.2 1 734 . 99 ASN H H 8.148 0.02 1 735 . 99 ASN HD21 H 7.48 0.02 1 736 . 99 ASN HD22 H 6.5 0.02 1 737 . 99 ASN C C 176.43 0.3 1 738 . 99 ASN CA C 53.18 0.3 1 739 . 99 ASN CB C 40.421 0.3 1 740 . 99 ASN CG C 175.79 0.3 1 741 . 99 ASN N N 122.591 0.2 1 742 . 99 ASN ND2 N 112.7 0.2 1 743 . 100 SER HA H 4.261 0.02 1 744 . 100 SER HB2 H 3.998 0.02 1 745 . 100 SER HB3 H 3.998 0.02 1 746 . 100 SER CA C 61.2 0.3 1 747 . 100 SER CB C 62.74 0.3 1 748 . 101 ASP H H 7.85 0.02 1 749 . 101 ASP HA H 4.509 0.02 1 750 . 101 ASP HB2 H 3.061 0.02 1 751 . 101 ASP HB3 H 3.061 0.02 1 752 . 101 ASP C C 174.78 0.3 1 753 . 101 ASP CA C 53.625 0.3 1 754 . 101 ASP CB C 39.931 0.3 1 755 . 101 ASP N N 119.363 0.2 1 756 . 102 GLY H H 7.951 0.02 1 757 . 102 GLY HA2 H 4.533 0.02 1 758 . 102 GLY HA3 H 4.533 0.02 1 759 . 102 GLY C C 176.5 0.3 1 760 . 102 GLY CA C 45.452 0.3 1 761 . 102 GLY N N 107.627 0.2 1 762 . 103 SER H H 8.551 0.02 1 763 . 103 SER HA H 5.008 0.02 1 764 . 103 SER HB2 H 4.206 0.02 1 765 . 103 SER HB3 H 4.206 0.02 1 766 . 103 SER C C 174.39 0.3 1 767 . 103 SER CA C 58.772 0.3 1 768 . 103 SER CB C 65.41 0.3 1 769 . 103 SER N N 117.626 0.2 1 770 . 104 VAL H H 9.244 0.02 1 771 . 104 VAL HA H 4.922 0.02 1 772 . 104 VAL HB H 1.583 0.02 1 773 . 104 VAL HG1 H 0.541 0.02 1 774 . 104 VAL HG2 H 0.541 0.02 1 775 . 104 VAL C C 175.1 0.3 1 776 . 104 VAL CA C 62.009 0.3 1 777 . 104 VAL CB C 32.746 0.3 1 778 . 104 VAL CG1 C 20.962 0.3 1 779 . 104 VAL CG2 C 20.962 0.3 1 780 . 104 VAL N N 125.081 0.2 1 781 . 105 VAL H H 8.86 0.02 1 782 . 105 VAL HA H 4.863 0.02 1 783 . 105 VAL HB H 1.823 0.02 1 784 . 105 VAL HG1 H 1.029 0.02 1 785 . 105 VAL HG2 H 1.029 0.02 1 786 . 105 VAL C C 174.29 0.3 1 787 . 105 VAL CA C 60.04 0.3 1 788 . 105 VAL CB C 35.493 0.3 1 789 . 105 VAL CG1 C 22.478 0.3 2 790 . 105 VAL CG2 C 20.914 0.3 2 791 . 105 VAL N N 126.101 0.2 1 792 . 106 GLY H H 9.393 0.02 1 793 . 106 GLY HA2 H 3.444 0.02 1 794 . 106 GLY HA3 H 3.444 0.02 1 795 . 106 GLY C C 177.24 0.3 1 796 . 106 GLY CA C 46.86 0.3 1 797 . 106 GLY N N 115.196 0.2 1 798 . 107 VAL H H 7.851 0.02 1 799 . 107 VAL HA H 3.28 0.02 1 800 . 107 VAL HB H 1.716 0.02 1 801 . 107 VAL HG1 H 0.682 0.02 1 802 . 107 VAL HG2 H 0.682 0.02 1 803 . 107 VAL C C 174.85 0.3 1 804 . 107 VAL CA C 66.277 0.3 1 805 . 107 VAL CB C 31.363 0.3 1 806 . 107 VAL CG1 C 23.47 0.3 2 807 . 107 VAL CG2 C 20.003 0.3 2 808 . 107 VAL N N 128.283 0.2 1 809 . 108 GLN H H 6.495 0.02 1 810 . 108 GLN HA H 3.908 0.02 1 811 . 108 GLN HE21 H 7.82 0.02 1 812 . 108 GLN HE22 H 6.91 0.02 1 813 . 108 GLN C C 177.29 0.3 1 814 . 108 GLN CA C 58.05 0.3 1 815 . 108 GLN CB C 29.609 0.3 1 816 . 108 GLN CG C 33.448 0.3 1 817 . 108 GLN CD C 178.95 0.3 1 818 . 108 GLN N N 115.244 0.2 1 819 . 108 GLN NE2 N 112.9 0.2 1 820 . 109 SER H H 8.036 0.02 1 821 . 109 SER HA H 4.046 0.02 1 822 . 109 SER HB2 H 3.849 0.02 1 823 . 109 SER HB3 H 3.849 0.02 1 824 . 109 SER C C 176.52 0.3 1 825 . 109 SER CA C 59.354 0.3 1 826 . 109 SER CB C 64.335 0.3 1 827 . 109 SER N N 109.15 0.2 1 828 . 110 GLY H H 8.476 0.02 1 829 . 110 GLY HA2 H 4.02 0.02 1 830 . 110 GLY HA3 H 4.02 0.02 1 831 . 110 GLY C C 175.59 0.3 1 832 . 110 GLY CA C 46.263 0.3 1 833 . 110 GLY N N 113.292 0.2 1 834 . 111 LEU H H 7.877 0.02 1 835 . 111 LEU HA H 4.62 0.02 1 836 . 111 LEU CA C 53.625 0.3 1 837 . 111 LEU CB C 43.504 0.3 1 838 . 111 LEU CG C 27 0.3 1 839 . 111 LEU CD1 C 22.176 0.3 2 840 . 111 LEU CD2 C 25.543 0.3 2 841 . 111 LEU N N 119.523 0.2 1 842 . 112 CYS H H 8.262 0.02 1 843 . 112 CYS HA H 5.469 0.02 1 844 . 112 CYS HB2 H 3.467 0.02 1 845 . 112 CYS HB3 H 3.467 0.02 1 846 . 112 CYS C C 174.27 0.3 1 847 . 112 CYS CA C 60.852 0.3 1 848 . 112 CYS CB C 43.413 0.3 1 849 . 112 CYS N N 118.54 0.2 1 850 . 113 LEU H H 8.608 0.02 1 851 . 113 LEU HA H 4.259 0.02 1 852 . 113 LEU C C 175 0.3 1 853 . 113 LEU CA C 56.533 0.3 1 854 . 113 LEU CB C 43.246 0.3 1 855 . 113 LEU CG C 23.681 0.3 1 856 . 113 LEU CD1 C 25.576 0.3 1 857 . 113 LEU N N 120.808 0.2 1 858 . 114 ASP H H 9.308 0.02 1 859 . 114 ASP HA H 5.246 0.02 1 860 . 114 ASP HB2 H 2.649 0.02 1 861 . 114 ASP HB3 H 2.649 0.02 1 862 . 114 ASP C C 178.19 0.3 1 863 . 114 ASP CA C 54.56 0.3 1 864 . 114 ASP CB C 47.675 0.3 1 865 . 114 ASP N N 130.601 0.2 1 866 . 115 ALA H H 8.193 0.02 1 867 . 115 ALA HA H 4.864 0.02 1 868 . 115 ALA HB H 1.362 0.02 1 869 . 115 ALA C C 173.46 0.3 1 870 . 115 ALA CA C 51.765 0.3 1 871 . 115 ALA CB C 18.248 0.3 1 872 . 115 ALA N N 128.002 0.2 1 873 . 116 VAL H H 8.447 0.02 1 874 . 116 VAL HA H 4.951 0.02 1 875 . 116 VAL HB H 2.428 0.02 1 876 . 116 VAL HG1 H 1.065 0.02 1 877 . 116 VAL HG2 H 1.065 0.02 1 878 . 116 VAL C C 176.19 0.3 1 879 . 116 VAL CA C 64.498 0.3 1 880 . 116 VAL CB C 32.111 0.3 1 881 . 116 VAL CG1 C 22.352 0.3 2 882 . 116 VAL CG2 C 20.935 0.3 2 883 . 116 VAL N N 126.797 0.2 1 884 . 117 GLY H H 9.075 0.02 1 885 . 117 GLY HA2 H 3.688 0.02 1 886 . 117 GLY HA3 H 3.688 0.02 1 887 . 117 GLY C C 178.99 0.3 1 888 . 117 GLY CA C 46.2 0.3 1 889 . 117 GLY N N 119.076 0.2 1 890 . 118 ASN H H 8.11 0.02 1 891 . 118 ASN HA H 3.954 0.02 1 892 . 118 ASN HB2 H 3.032 0.02 1 893 . 118 ASN HB3 H 3.032 0.02 1 894 . 118 ASN HD21 H 7.1 0.02 1 895 . 118 ASN HD22 H 5.88 0.02 1 896 . 118 ASN C C 175.6 0.3 1 897 . 118 ASN CA C 54.253 0.3 1 898 . 118 ASN CB C 37.764 0.3 1 899 . 118 ASN CG C 180.9 0.3 1 900 . 118 ASN N N 113.721 0.2 1 901 . 118 ASN ND2 N 107.48 0.2 1 902 . 119 GLY H H 7.601 0.02 1 903 . 119 GLY HA2 H 3.849 0.02 1 904 . 119 GLY HA3 H 3.849 0.02 1 905 . 119 GLY C C 175.09 0.3 1 906 . 119 GLY CA C 46.142 0.3 1 907 . 119 GLY N N 105.75 0.2 1 908 . 120 THR H H 8.19 0.02 1 909 . 120 THR HA H 4.176 0.02 2 910 . 120 THR HB H 4.074 0.02 2 911 . 120 THR HG2 H 0.867 0.02 1 912 . 120 THR C C 172.93 0.3 1 913 . 120 THR CA C 59.768 0.3 1 914 . 120 THR CB C 70.368 0.3 1 915 . 120 THR CG2 C 21.127 0.3 1 916 . 120 THR N N 107.638 0.2 1 917 . 121 ALA H H 7.202 0.02 1 918 . 121 ALA HA H 4.013 0.02 1 919 . 121 ALA HB H 1.279 0.02 1 920 . 121 ALA C C 174.2 0.3 1 921 . 121 ALA CA C 51.527 0.3 1 922 . 121 ALA CB C 20.751 0.3 1 923 . 121 ALA N N 122.847 0.2 1 924 . 122 ASN H H 8.341 0.02 1 925 . 122 ASN HA H 4.04 0.02 1 926 . 122 ASN HB2 H 1.883 0.02 1 927 . 122 ASN HB3 H 1.883 0.02 1 928 . 122 ASN HD21 H 6.6 0.02 1 929 . 122 ASN HD22 H 6.3 0.02 1 930 . 122 ASN C C 178.5 0.3 1 931 . 122 ASN CA C 53.98 0.3 1 932 . 122 ASN CB C 36.12 0.3 1 933 . 122 ASN CG C 181.2 0.3 1 934 . 122 ASN N N 120.121 0.2 1 935 . 122 ASN ND2 N 108.1 0.2 1 936 . 123 GLY H H 9.475 0.02 1 937 . 123 GLY HA2 H 4.424 0.02 1 938 . 123 GLY HA3 H 4.424 0.02 1 939 . 123 GLY C C 177.084 0.3 1 940 . 123 GLY CA C 44.479 0.3 1 941 . 123 GLY N N 112.986 0.2 1 942 . 124 THR H H 7.68 0.02 1 943 . 124 THR HA H 3.933 0.02 2 944 . 124 THR HB H 3.774 0.02 2 945 . 124 THR HG2 H 1.411 0.02 1 946 . 124 THR C C 174.88 0.3 1 947 . 124 THR CA C 65.155 0.3 1 948 . 124 THR CB C 70.294 0.3 1 949 . 124 THR CG2 C 20.845 0.3 1 950 . 124 THR N N 119.036 0.2 1 951 . 125 LEU H H 8.469 0.02 1 952 . 125 LEU HA H 4.837 0.02 1 953 . 125 LEU C C 173.38 0.3 1 954 . 125 LEU CA C 55.107 0.3 1 955 . 125 LEU CB C 43.369 0.3 1 956 . 125 LEU CG C 26.76 0.3 1 957 . 125 LEU CD1 C 22.382 0.3 2 958 . 125 LEU CD2 C 25.237 0.3 2 959 . 125 LEU N N 127.341 0.2 1 960 . 126 ILE H H 7.027 0.02 1 961 . 126 ILE HA H 4.919 0.02 1 962 . 126 ILE C C 175.25 0.3 1 963 . 126 ILE CA C 57.549 0.3 1 964 . 126 ILE CB C 36.506 0.3 1 965 . 126 ILE CG1 C 25.783 0.3 1 966 . 126 ILE CD1 C 17.923 0.3 1 967 . 126 ILE N N 116.655 0.2 1 968 . 127 GLN H H 9.337 0.02 1 969 . 127 GLN HA H 5.411 0.02 1 970 . 127 GLN HE21 H 8.05 0.02 1 971 . 127 GLN HE22 H 6.47 0.02 1 972 . 127 GLN C C 174.76 0.3 1 973 . 127 GLN CA C 52.899 0.3 1 974 . 127 GLN CB C 32.22 0.3 1 975 . 127 GLN CG C 31.093 0.3 1 976 . 127 GLN CD C 179.47 0.3 1 977 . 127 GLN N N 126.014 0.2 1 978 . 127 GLN NE2 N 112.3 0.2 1 979 . 128 LEU H H 8.216 0.02 1 980 . 128 LEU HA H 5.245 0.02 1 981 . 128 LEU C C 174.16 0.3 1 982 . 128 LEU CA C 53.18 0.3 1 983 . 128 LEU CB C 44.829 0.3 1 984 . 128 LEU CG C 22.735 0.3 1 985 . 128 LEU CD1 C 26.451 0.3 1 986 . 128 LEU N N 117.164 0.2 1 987 . 129 TYR H H 9.438 0.02 1 988 . 129 TYR HA H 4.723 0.02 1 989 . 129 TYR HB2 H 2.625 0.02 1 990 . 129 TYR HB3 H 2.625 0.02 1 991 . 129 TYR C C 177.65 0.3 1 992 . 129 TYR CA C 58.38 0.3 1 993 . 129 TYR N N 124.233 0.2 1 994 . 130 THR H H 7.54 0.02 1 995 . 130 THR HA H 3.881 0.02 2 996 . 130 THR HB H 3.802 0.02 2 997 . 130 THR HG2 H 1.199 0.02 1 998 . 130 THR C C 173.53 0.3 1 999 . 130 THR CA C 64.75 0.3 1 1000 . 130 THR CB C 70.479 0.3 1 1001 . 130 THR CG2 C 21.208 0.3 1 1002 . 130 THR N N 122.071 0.2 1 1003 . 131 CYS H H 9.397 0.02 1 1004 . 131 CYS HA H 5.219 0.02 1 1005 . 131 CYS HB2 H 3.328 0.02 1 1006 . 131 CYS HB3 H 3.328 0.02 1 1007 . 131 CYS C C 175.25 0.3 1 1008 . 131 CYS CA C 56.992 0.3 1 1009 . 131 CYS CB C 43.506 0.3 1 1010 . 131 CYS N N 129.282 0.2 1 1011 . 132 SER H H 10.216 0.02 1 1012 . 132 SER HA H 4.649 0.02 1 1013 . 132 SER HB2 H 4.047 0.02 1 1014 . 132 SER HB3 H 4.047 0.02 1 1015 . 132 SER C C 175.82 0.3 1 1016 . 132 SER CA C 57.49 0.3 1 1017 . 132 SER CB C 65.733 0.3 1 1018 . 132 SER N N 121.715 0.2 1 1019 . 133 ASN H H 8.947 0.02 1 1020 . 133 ASN HA H 4.479 0.02 1 1021 . 133 ASN HB2 H 3.034 0.02 1 1022 . 133 ASN HB3 H 3.034 0.02 1 1023 . 133 ASN HD21 H 7.47 0.02 1 1024 . 133 ASN HD22 H 6.76 0.02 1 1025 . 133 ASN C C 175.15 0.3 1 1026 . 133 ASN CA C 54.547 0.3 1 1027 . 133 ASN CB C 38.009 0.3 1 1028 . 133 ASN CG C 178.2 0.3 1 1029 . 133 ASN N N 118.719 0.2 1 1030 . 133 ASN ND2 N 111.6 0.2 1 1031 . 134 GLY H H 8.069 0.02 1 1032 . 134 GLY HA2 H 4.045 0.02 1 1033 . 134 GLY HA3 H 4.045 0.02 1 1034 . 134 GLY C C 175.101 0.3 1 1035 . 134 GLY CA C 45.235 0.3 1 1036 . 134 GLY N N 105.926 0.2 1 1037 . 135 SER HA H 4.208 0.02 1 1038 . 135 SER HB2 H 3.796 0.02 1 1039 . 135 SER HB3 H 3.796 0.02 1 1040 . 135 SER CA C 61.12 0.3 1 1041 . 135 SER CB C 62.493 0.3 1 1042 . 135 SER N N 119.272 0.2 1 1043 . 136 ASN H H 8.264 0.02 1 1044 . 136 ASN HA H 4.425 0.02 1 1045 . 136 ASN HB2 H 3.113 0.02 1 1046 . 136 ASN HB3 H 3.113 0.02 1 1047 . 136 ASN HD21 H 7.3 0.02 1 1048 . 136 ASN HD22 H 6.57 0.02 1 1049 . 136 ASN CA C 54.271 0.3 1 1050 . 136 ASN CB C 37.752 0.3 1 1051 . 136 ASN CG C 178.1 0.3 1 1052 . 136 ASN N N 119.146 0.2 1 1053 . 136 ASN ND2 N 111.6 0.2 1 1054 . 137 GLN H H 7.382 0.02 1 1055 . 137 GLN HA H 5.027 0.02 1 1056 . 137 GLN HE21 H 9.47 0.02 1 1057 . 137 GLN HE22 H 7.3 0.02 1 1058 . 137 GLN C C 173.98 0.3 1 1059 . 137 GLN CA C 53.736 0.3 1 1060 . 137 GLN CB C 30.533 0.3 1 1061 . 137 GLN CG C 32.784 0.3 1 1062 . 137 GLN CD C 180.8 0.3 1 1063 . 137 GLN N N 115.701 0.2 1 1064 . 137 GLN NE2 N 110.5 0.2 1 1065 . 138 ARG H H 6.556 0.02 1 1066 . 138 ARG HA H 4.618 0.02 1 1067 . 138 ARG HD2 H 3.06 0.02 1 1068 . 138 ARG HD3 H 3.06 0.02 1 1069 . 138 ARG C C 175.41 0.3 1 1070 . 138 ARG CA C 54.554 0.3 1 1071 . 138 ARG CB C 32.704 0.3 1 1072 . 138 ARG CG C 27.371 0.3 1 1073 . 138 ARG CD C 43.767 0.3 1 1074 . 138 ARG N N 119.547 0.2 1 1075 . 139 TRP H H 9.388 0.02 1 1076 . 139 TRP HA H 5.386 0.02 1 1077 . 139 TRP HB2 H 2.873 0.02 1 1078 . 139 TRP HB3 H 2.873 0.02 1 1079 . 139 TRP C C 175.15 0.3 1 1080 . 139 TRP CA C 55.721 0.3 1 1081 . 139 TRP CB C 31.857 0.3 1 1082 . 139 TRP N N 127.411 0.2 1 1083 . 140 THR H H 9.907 0.02 1 1084 . 140 THR HA H 4.705 0.02 2 1085 . 140 THR HB H 4.067 0.02 2 1086 . 140 THR HG2 H 1.115 0.02 1 1087 . 140 THR C C 175.73 0.3 1 1088 . 140 THR CA C 60.034 0.3 1 1089 . 140 THR CB C 70.923 0.3 1 1090 . 140 THR CG2 C 21.162 0.3 1 1091 . 140 THR N N 117.338 0.2 1 1092 . 141 ARG H H 8.582 0.02 1 1093 . 141 ARG HA H 5.195 0.02 1 1094 . 141 ARG HD2 H 3.172 0.02 1 1095 . 141 ARG HD3 H 3.172 0.02 1 1096 . 141 ARG C C 173.24 0.3 1 1097 . 141 ARG CA C 54.612 0.3 1 1098 . 141 ARG CB C 31.075 0.3 1 1099 . 141 ARG CG C 27.022 0.3 1 1100 . 141 ARG CD C 42.861 0.3 1 1101 . 141 ARG N N 123.935 0.2 1 1102 . 142 THR H H 7.924 0.02 1 1103 . 142 THR CA C 62.537 0.3 1 1104 . 142 THR CB C 70.623 0.3 1 1105 . 142 THR N N 120.481 0.2 1 stop_ save_