data_16732 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the PASTA domain 1 and 2 of Mycobacterium tuberculosis of PknB ; _BMRB_accession_number 16732 _BMRB_flat_file_name bmr16732.str _Entry_type original _Submission_date 2010-02-17 _Accession_date 2010-02-17 _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 Barthe Philippe . . 2 Cohen-Gonsaud Martin . . 3 Roumestand Christian . . 4 Mukamolova Galina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 728 "13C chemical shifts" 392 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-18 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 16733 'PASTA domain 2 and 3 of PknB' 16734 'PASTA domain 3 and 4 of PknB' stop_ _Original_release_date 2010-02-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structure of PknB extracellular PASTA domain from mycobacterium tuberculosis suggests a ligand-dependent kinase activation. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20462494 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barthe Philippe . . 2 Mukamolova Galina V. . 3 Roumestand Christian . . 4 Cohen-Gonsaud Martin . . stop_ _Journal_abbreviation 'Structure (Cambridge, MA, U. S.)' _Journal_name_full 'Structure (Cambridge, MA, United States)' _Journal_volume 18 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 606 _Page_last 615 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PknB_PASTA12 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $PknB_PASTA12 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_PknB_PASTA12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PknB_PASTA12 _Molecular_mass 14203.956 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; GHMGITRDVQVPDVRGQSSA DAIATLQNRGFKIRTLQKPD STIPPDHVIGTDPAANTSVS AGDEITVNVSTGPEQREIPD VSTLTYAEAVKKLTAAGFGR FKQANSPSTPELVGKVIGTN PPANQTSAITNVVIIIVGSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 GLY 5 ILE 6 THR 7 ARG 8 ASP 9 VAL 10 GLN 11 VAL 12 PRO 13 ASP 14 VAL 15 ARG 16 GLY 17 GLN 18 SER 19 SER 20 ALA 21 ASP 22 ALA 23 ILE 24 ALA 25 THR 26 LEU 27 GLN 28 ASN 29 ARG 30 GLY 31 PHE 32 LYS 33 ILE 34 ARG 35 THR 36 LEU 37 GLN 38 LYS 39 PRO 40 ASP 41 SER 42 THR 43 ILE 44 PRO 45 PRO 46 ASP 47 HIS 48 VAL 49 ILE 50 GLY 51 THR 52 ASP 53 PRO 54 ALA 55 ALA 56 ASN 57 THR 58 SER 59 VAL 60 SER 61 ALA 62 GLY 63 ASP 64 GLU 65 ILE 66 THR 67 VAL 68 ASN 69 VAL 70 SER 71 THR 72 GLY 73 PRO 74 GLU 75 GLN 76 ARG 77 GLU 78 ILE 79 PRO 80 ASP 81 VAL 82 SER 83 THR 84 LEU 85 THR 86 TYR 87 ALA 88 GLU 89 ALA 90 VAL 91 LYS 92 LYS 93 LEU 94 THR 95 ALA 96 ALA 97 GLY 98 PHE 99 GLY 100 ARG 101 PHE 102 LYS 103 GLN 104 ALA 105 ASN 106 SER 107 PRO 108 SER 109 THR 110 PRO 111 GLU 112 LEU 113 VAL 114 GLY 115 LYS 116 VAL 117 ILE 118 GLY 119 THR 120 ASN 121 PRO 122 PRO 123 ALA 124 ASN 125 GLN 126 THR 127 SER 128 ALA 129 ILE 130 THR 131 ASN 132 VAL 133 VAL 134 ILE 135 ILE 136 ILE 137 VAL 138 GLY 139 SER 140 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $PknB_PASTA12 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis H37Rv Rv0014c 'Residues 355 to 491' 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 $PknB_PASTA12 'recombinant technology' . Escherichia coli BL21(DE3) pET21-TEV 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 $PknB_PASTA12 0.6 mM '[U-100% 15N]' 'sodium acetate' 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5.0 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PknB_PASTA12 0.6 mM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5.0 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.2 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 Bruker _Model 'Avance III' _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2 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' 20 . mM pH 4.6 0.1 pH pressure 1 . atm temperature 283 0.1 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 '3D 1H-15N NOESY' '3D HNCA' '3D HN(COCA)CB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 4 GLY H H 8.562 0.001 1 2 1 4 GLY HA2 H 3.960 0.001 2 3 1 4 GLY HA3 H 3.960 0.001 2 4 1 4 GLY C C 173.860 0.01 1 5 1 4 GLY CA C 45.190 0.01 1 6 1 4 GLY N N 110.990 0.01 1 7 2 5 ILE H H 8.211 0.001 1 8 2 5 ILE HA H 4.237 0.001 1 9 2 5 ILE HB H 1.863 0.001 1 10 2 5 ILE HD1 H 0.884 0.001 1 11 2 5 ILE HG12 H 1.460 0.001 2 12 2 5 ILE HG13 H 1.460 0.001 2 13 2 5 ILE HG2 H 1.182 0.001 1 14 2 5 ILE C C 176.710 0.01 1 15 2 5 ILE CA C 61.350 0.01 1 16 2 5 ILE CB C 39.000 0.01 1 17 2 5 ILE N N 120.190 0.01 1 18 3 6 THR H H 8.367 0.001 1 19 3 6 THR HA H 4.343 0.001 1 20 3 6 THR HB H 4.141 0.001 1 21 3 6 THR HG2 H 1.180 0.001 1 22 3 6 THR C C 174.120 0.01 1 23 3 6 THR CA C 61.820 0.01 1 24 3 6 THR CB C 70.140 0.01 1 25 3 6 THR N N 119.560 0.01 1 26 4 7 ARG H H 8.556 0.001 1 27 4 7 ARG HA H 4.330 0.001 1 28 4 7 ARG HB2 H 1.735 0.001 2 29 4 7 ARG HB3 H 1.735 0.001 2 30 4 7 ARG HD2 H 3.165 0.001 2 31 4 7 ARG HD3 H 3.165 0.001 2 32 4 7 ARG HE H 7.232 0.001 1 33 4 7 ARG HG2 H 1.565 0.001 2 34 4 7 ARG HG3 H 1.565 0.001 2 35 4 7 ARG C C 175.170 0.01 1 36 4 7 ARG CA C 55.790 0.01 1 37 4 7 ARG CB C 30.850 0.01 1 38 4 7 ARG N N 124.790 0.01 1 39 4 7 ARG NE N 84.620 0.01 1 40 5 8 ASP H H 8.274 0.001 1 41 5 8 ASP HA H 4.871 0.001 1 42 5 8 ASP HB2 H 2.580 0.001 2 43 5 8 ASP HB3 H 2.580 0.001 2 44 5 8 ASP C C 175.660 0.01 1 45 5 8 ASP CA C 53.880 0.01 1 46 5 8 ASP CB C 41.340 0.01 1 47 5 8 ASP N N 121.490 0.01 1 48 6 9 VAL H H 8.979 0.001 1 49 6 9 VAL HA H 4.344 0.001 1 50 6 9 VAL HB H 1.971 0.001 1 51 6 9 VAL HG1 H 0.879 0.001 1 52 6 9 VAL HG2 H 0.830 0.001 1 53 6 9 VAL C C 174.600 0.01 1 54 6 9 VAL CA C 61.060 0.01 1 55 6 9 VAL CB C 34.960 0.01 1 56 6 9 VAL N N 120.380 0.01 1 57 7 10 GLN H H 8.487 0.001 1 58 7 10 GLN HA H 5.037 0.001 1 59 7 10 GLN HB2 H 1.915 0.001 2 60 7 10 GLN HB3 H 1.736 0.001 2 61 7 10 GLN HE21 H 7.529 0.001 2 62 7 10 GLN HE22 H 6.812 0.001 2 63 7 10 GLN HG2 H 2.170 0.001 2 64 7 10 GLN HG3 H 2.170 0.001 2 65 7 10 GLN C C 176.920 0.01 1 66 7 10 GLN CA C 54.770 0.01 1 67 7 10 GLN CB C 31.480 0.01 1 68 7 10 GLN N N 122.520 0.01 1 69 7 10 GLN NE2 N 111.990 0.01 1 70 8 11 VAL H H 8.452 0.001 1 71 8 11 VAL HA H 3.830 0.001 1 72 8 11 VAL HB H 1.988 0.001 1 73 8 11 VAL HG1 H 0.804 0.001 1 74 8 11 VAL HG2 H 0.662 0.001 1 75 8 11 VAL C C 174.980 0.01 1 76 8 11 VAL CA C 61.390 0.01 1 77 8 11 VAL CB C 33.330 0.01 1 78 8 11 VAL N N 125.330 0.01 1 79 9 12 PRO HA H 4.537 0.001 1 80 9 12 PRO HB2 H 2.210 0.001 2 81 9 12 PRO HB3 H 1.778 0.001 2 82 9 12 PRO HD2 H 4.154 0.001 2 83 9 12 PRO HD3 H 3.556 0.001 2 84 9 12 PRO HG2 H 1.862 0.001 2 85 9 12 PRO HG3 H 1.862 0.001 2 86 9 12 PRO C C 175.490 0.01 1 87 9 12 PRO CA C 62.430 0.01 1 88 9 12 PRO CB C 31.980 0.01 1 89 10 13 ASP H H 8.917 0.001 1 90 10 13 ASP HA H 4.482 0.001 1 91 10 13 ASP HB2 H 2.955 0.001 2 92 10 13 ASP HB3 H 2.452 0.001 2 93 10 13 ASP C C 176.990 0.01 1 94 10 13 ASP CA C 54.250 0.01 1 95 10 13 ASP CB C 40.850 0.01 1 96 10 13 ASP N N 119.830 0.01 1 97 11 14 VAL H H 7.352 0.001 1 98 11 14 VAL HA H 4.605 0.001 1 99 11 14 VAL HB H 2.243 0.001 1 100 11 14 VAL HG1 H 0.774 0.001 1 101 11 14 VAL HG2 H 0.683 0.001 1 102 11 14 VAL C C 175.070 0.01 1 103 11 14 VAL CA C 59.830 0.01 1 104 11 14 VAL CB C 31.700 0.01 1 105 11 14 VAL N N 118.120 0.01 1 106 12 15 ARG H H 7.882 0.001 1 107 12 15 ARG HA H 3.681 0.001 1 108 12 15 ARG HB2 H 1.899 0.001 2 109 12 15 ARG HB3 H 1.806 0.001 2 110 12 15 ARG HD2 H 3.380 0.001 2 111 12 15 ARG HD3 H 3.231 0.001 2 112 12 15 ARG HE H 7.538 0.001 1 113 12 15 ARG HG2 H 1.806 0.001 2 114 12 15 ARG HG3 H 1.757 0.001 2 115 12 15 ARG C C 178.270 0.01 1 116 12 15 ARG CA C 58.510 0.01 1 117 12 15 ARG CB C 29.280 0.01 1 118 12 15 ARG N N 123.630 0.01 1 119 12 15 ARG NE N 86.340 0.01 1 120 13 16 GLY H H 10.136 0.001 1 121 13 16 GLY HA2 H 4.524 0.001 2 122 13 16 GLY HA3 H 3.500 0.001 2 123 13 16 GLY C C 175.070 0.01 1 124 13 16 GLY CA C 45.180 0.01 1 125 13 16 GLY N N 114.800 0.01 1 126 14 17 GLN H H 7.835 0.001 1 127 14 17 GLN HA H 4.459 0.001 1 128 14 17 GLN HB2 H 1.982 0.001 2 129 14 17 GLN HB3 H 1.982 0.001 2 130 14 17 GLN HE21 H 7.452 0.001 2 131 14 17 GLN HE22 H 6.373 0.001 2 132 14 17 GLN HG2 H 2.293 0.001 2 133 14 17 GLN HG3 H 2.344 0.001 2 134 14 17 GLN C C 177.260 0.01 1 135 14 17 GLN CA C 56.330 0.01 1 136 14 17 GLN CB C 29.850 0.01 1 137 14 17 GLN N N 120.940 0.01 1 138 14 17 GLN NE2 N 108.480 0.01 1 139 15 18 SER H H 9.605 0.001 1 140 15 18 SER HA H 3.670 0.001 1 141 15 18 SER HB2 H 4.018 0.001 2 142 15 18 SER HB3 H 3.752 0.001 2 143 15 18 SER C C 175.070 0.01 1 144 15 18 SER CA C 58.700 0.01 1 145 15 18 SER CB C 63.540 0.01 1 146 15 18 SER N N 118.300 0.01 1 147 16 19 SER H H 8.315 0.001 1 148 16 19 SER HA H 3.487 0.001 1 149 16 19 SER HB2 H 4.003 0.001 2 150 16 19 SER HB3 H 3.623 0.001 2 151 16 19 SER C C 175.740 0.01 1 152 16 19 SER CA C 63.140 0.01 1 153 16 19 SER CB C 61.840 0.01 1 154 16 19 SER N N 118.980 0.01 1 155 17 20 ALA H H 8.651 0.001 1 156 17 20 ALA HA H 4.009 0.001 1 157 17 20 ALA HB H 1.342 0.001 1 158 17 20 ALA C C 181.000 0.01 1 159 17 20 ALA CA C 55.580 0.01 1 160 17 20 ALA CB C 18.650 0.01 1 161 17 20 ALA N N 122.450 0.01 1 162 18 21 ASP H H 7.536 0.001 1 163 18 21 ASP HA H 4.419 0.001 1 164 18 21 ASP HB2 H 2.783 0.001 2 165 18 21 ASP HB3 H 2.722 0.001 2 166 18 21 ASP C C 178.510 0.01 1 167 18 21 ASP CA C 57.090 0.01 1 168 18 21 ASP CB C 39.850 0.01 1 169 18 21 ASP N N 119.470 0.01 1 170 19 22 ALA H H 8.619 0.001 1 171 19 22 ALA HA H 3.987 0.001 1 172 19 22 ALA HB H 1.334 0.001 1 173 19 22 ALA C C 179.610 0.01 1 174 19 22 ALA CA C 55.150 0.01 1 175 19 22 ALA CB C 20.850 0.01 1 176 19 22 ALA N N 124.170 0.01 1 177 20 23 ILE H H 8.627 0.001 1 178 20 23 ILE HA H 3.397 0.001 1 179 20 23 ILE HB H 1.823 0.001 1 180 20 23 ILE HD1 H 0.718 0.001 1 181 20 23 ILE HG12 H 1.742 0.001 2 182 20 23 ILE HG13 H 1.527 0.001 2 183 20 23 ILE HG2 H 0.817 0.001 1 184 20 23 ILE C C 177.560 0.01 1 185 20 23 ILE CA C 66.550 0.01 1 186 20 23 ILE CB C 38.220 0.01 1 187 20 23 ILE N N 117.710 0.01 1 188 21 24 ALA H H 7.720 0.001 1 189 21 24 ALA HA H 4.205 0.001 1 190 21 24 ALA HB H 1.518 0.001 1 191 21 24 ALA C C 180.490 0.01 1 192 21 24 ALA CA C 55.670 0.01 1 193 21 24 ALA CB C 18.080 0.01 1 194 21 24 ALA N N 121.810 0.01 1 195 22 25 THR H H 8.251 0.001 1 196 22 25 THR HA H 4.359 0.001 1 197 22 25 THR HB H 3.908 0.001 1 198 22 25 THR HG2 H 1.109 0.001 1 199 22 25 THR C C 176.880 0.01 1 200 22 25 THR CA C 66.970 0.01 1 201 22 25 THR CB C 68.860 0.01 1 202 22 25 THR N N 116.450 0.01 1 203 23 26 LEU H H 8.272 0.001 1 204 23 26 LEU HA H 4.561 0.001 1 205 23 26 LEU HB2 H 2.000 0.001 2 206 23 26 LEU HB3 H 1.862 0.001 2 207 23 26 LEU HD1 H 0.791 0.001 1 208 23 26 LEU HD2 H 0.658 0.001 1 209 23 26 LEU HG H 1.234 0.001 1 210 23 26 LEU C C 179.670 0.01 1 211 23 26 LEU CA C 58.560 0.01 1 212 23 26 LEU CB C 42.330 0.01 1 213 23 26 LEU N N 120.570 0.01 1 214 24 27 GLN H H 9.246 0.001 1 215 24 27 GLN HA H 4.377 0.001 1 216 24 27 GLN HB2 H 2.284 0.001 2 217 24 27 GLN HB3 H 2.039 0.001 2 218 24 27 GLN HE21 H 7.272 0.001 2 219 24 27 GLN HE22 H 6.878 0.001 2 220 24 27 GLN HG2 H 2.665 0.001 2 221 24 27 GLN HG3 H 2.345 0.001 2 222 24 27 GLN C C 181.310 0.01 1 223 24 27 GLN CA C 59.500 0.01 1 224 24 27 GLN CB C 28.430 0.01 1 225 24 27 GLN N N 120.310 0.01 1 226 24 27 GLN NE2 N 111.040 0.01 1 227 25 28 ASN H H 8.576 0.001 1 228 25 28 ASN HA H 4.543 0.001 1 229 25 28 ASN HB2 H 3.060 0.001 2 230 25 28 ASN HB3 H 2.911 0.001 2 231 25 28 ASN HD21 H 7.684 0.001 2 232 25 28 ASN HD22 H 7.040 0.001 2 233 25 28 ASN C C 176.970 0.01 1 234 25 28 ASN CA C 56.000 0.01 1 235 25 28 ASN CB C 38.500 0.01 1 236 25 28 ASN N N 120.410 0.01 1 237 25 28 ASN ND2 N 112.570 0.01 1 238 26 29 ARG H H 7.347 0.001 1 239 26 29 ARG HA H 4.346 0.001 1 240 26 29 ARG HB2 H 2.047 0.001 2 241 26 29 ARG HB3 H 1.914 0.001 2 242 26 29 ARG HD2 H 3.331 0.001 2 243 26 29 ARG HD3 H 3.165 0.001 2 244 26 29 ARG HE H 7.434 0.001 1 245 26 29 ARG HG2 H 1.964 0.001 2 246 26 29 ARG HG3 H 1.794 0.001 2 247 26 29 ARG C C 176.160 0.01 1 248 26 29 ARG CA C 54.960 0.01 1 249 26 29 ARG CB C 30.770 0.01 1 250 26 29 ARG N N 116.220 0.01 1 251 26 29 ARG NE N 83.940 0.01 1 252 27 30 GLY H H 7.887 0.001 1 253 27 30 GLY HA2 H 4.033 0.001 2 254 27 30 GLY HA3 H 3.648 0.001 2 255 27 30 GLY C C 174.680 0.01 1 256 27 30 GLY CA C 45.270 0.01 1 257 27 30 GLY N N 106.910 0.01 1 258 28 31 PHE H H 7.476 0.001 1 259 28 31 PHE HA H 4.565 0.001 1 260 28 31 PHE HB2 H 3.452 0.001 2 261 28 31 PHE HB3 H 2.372 0.001 2 262 28 31 PHE HD1 H 7.585 0.001 3 263 28 31 PHE HD2 H 7.585 0.001 3 264 28 31 PHE HE1 H 7.156 0.001 3 265 28 31 PHE HE2 H 7.156 0.001 3 266 28 31 PHE HZ H 6.900 0.001 1 267 28 31 PHE C C 175.890 0.01 1 268 28 31 PHE CA C 59.080 0.01 1 269 28 31 PHE CB C 39.500 0.01 1 270 28 31 PHE N N 118.200 0.01 1 271 29 32 LYS H H 7.864 0.001 1 272 29 32 LYS HA H 4.632 0.001 1 273 29 32 LYS HB2 H 1.980 0.001 2 274 29 32 LYS HB3 H 1.855 0.001 2 275 29 32 LYS HD2 H 1.717 0.001 2 276 29 32 LYS HE2 H 3.030 0.001 2 277 29 32 LYS HG2 H 1.456 0.001 2 278 29 32 LYS HG3 H 1.380 0.001 2 279 29 32 LYS C C 176.020 0.01 1 280 29 32 LYS CA C 55.290 0.01 1 281 29 32 LYS CB C 34.110 0.01 1 282 29 32 LYS N N 120.820 0.01 1 283 30 33 ILE H H 8.614 0.001 1 284 30 33 ILE HA H 5.186 0.001 1 285 30 33 ILE HB H 1.880 0.001 1 286 30 33 ILE HD1 H 0.745 0.001 1 287 30 33 ILE HG12 H 1.440 0.001 2 288 30 33 ILE HG13 H 1.310 0.001 2 289 30 33 ILE HG2 H 0.769 0.001 1 290 30 33 ILE C C 176.350 0.01 1 291 30 33 ILE CA C 59.170 0.01 1 292 30 33 ILE CB C 41.480 0.01 1 293 30 33 ILE N N 119.650 0.01 1 294 31 34 ARG H H 8.502 0.001 1 295 31 34 ARG HA H 4.663 0.001 1 296 31 34 ARG HB2 H 1.792 0.001 2 297 31 34 ARG HB3 H 1.759 0.001 2 298 31 34 ARG HD2 H 3.100 0.001 2 299 31 34 ARG HD3 H 3.100 0.001 2 300 31 34 ARG HE H 7.155 0.001 1 301 31 34 ARG HG2 H 1.527 0.001 2 302 31 34 ARG HG3 H 1.376 0.001 2 303 31 34 ARG C C 174.710 0.01 1 304 31 34 ARG CA C 55.010 0.01 1 305 31 34 ARG CB C 33.540 0.01 1 306 31 34 ARG N N 125.950 0.01 1 307 31 34 ARG NE N 84.490 0.01 1 308 32 35 THR H H 8.751 0.001 1 309 32 35 THR HA H 5.222 0.001 1 310 32 35 THR HB H 4.006 0.001 1 311 32 35 THR HG2 H 1.025 0.001 1 312 32 35 THR C C 173.900 0.01 1 313 32 35 THR CA C 60.830 0.01 1 314 32 35 THR CB C 71.200 0.01 1 315 32 35 THR N N 116.250 0.01 1 316 33 36 LEU H H 8.681 0.001 1 317 33 36 LEU HA H 4.637 0.001 1 318 33 36 LEU HB2 H 1.590 0.001 2 319 33 36 LEU HB3 H 1.539 0.001 2 320 33 36 LEU HD1 H 0.891 0.001 1 321 33 36 LEU HD2 H 0.871 0.001 1 322 33 36 LEU HG H 1.278 0.001 1 323 33 36 LEU C C 175.070 0.01 1 324 33 36 LEU CA C 54.250 0.01 1 325 33 36 LEU CB C 45.740 0.01 1 326 33 36 LEU N N 125.240 0.01 1 327 34 37 GLN H H 8.554 0.001 1 328 34 37 GLN HA H 5.347 0.001 1 329 34 37 GLN HB2 H 1.947 0.001 2 330 34 37 GLN HB3 H 1.906 0.001 2 331 34 37 GLN HE21 H 7.367 0.001 2 332 34 37 GLN HE22 H 6.839 0.001 2 333 34 37 GLN HG2 H 2.154 0.001 2 334 34 37 GLN HG3 H 2.308 0.001 2 335 34 37 GLN C C 176.180 0.01 1 336 34 37 GLN CA C 54.630 0.01 1 337 34 37 GLN CB C 30.210 0.01 1 338 34 37 GLN N N 122.790 0.01 1 339 34 37 GLN NE2 N 111.250 0.01 1 340 35 38 LYS H H 9.064 0.001 1 341 35 38 LYS HA H 4.882 0.001 1 342 35 38 LYS HB2 H 1.879 0.001 2 343 35 38 LYS HB3 H 1.784 0.001 2 344 35 38 LYS HD2 H 1.515 0.001 2 345 35 38 LYS HG2 H 1.251 0.001 2 346 35 38 LYS HG3 H 1.160 0.001 2 347 35 38 LYS C C 172.240 0.01 1 348 35 38 LYS CA C 53.780 0.01 1 349 35 38 LYS CB C 35.240 0.01 1 350 35 38 LYS N N 123.450 0.01 1 351 36 39 PRO HA H 4.980 0.001 1 352 36 39 PRO HB2 H 2.214 0.001 2 353 36 39 PRO HB3 H 1.764 0.001 2 354 36 39 PRO HD2 H 3.763 0.001 2 355 36 39 PRO HD3 H 3.763 0.001 2 356 36 39 PRO HG2 H 1.986 0.001 2 357 36 39 PRO HG3 H 1.887 0.001 2 358 36 39 PRO C C 176.960 0.01 1 359 36 39 PRO CA C 62.720 0.01 1 360 36 39 PRO CB C 32.760 0.01 1 361 37 40 ASP H H 8.041 0.001 1 362 37 40 ASP HA H 4.587 0.001 1 363 37 40 ASP HB2 H 2.591 0.001 2 364 37 40 ASP HB3 H 2.550 0.001 2 365 37 40 ASP C C 175.640 0.01 1 366 37 40 ASP CA C 55.960 0.01 1 367 37 40 ASP CB C 47.440 0.01 1 368 37 40 ASP N N 119.830 0.01 1 369 38 41 SER H H 8.830 0.001 1 370 38 41 SER HA H 4.133 0.001 1 371 38 41 SER HB2 H 3.880 0.001 2 372 38 41 SER HB3 H 3.780 0.001 2 373 38 41 SER C C 173.840 0.01 1 374 38 41 SER CA C 60.860 0.01 1 375 38 41 SER CB C 64.250 0.01 1 376 38 41 SER N N 119.580 0.01 1 377 39 42 THR H H 8.726 0.001 1 378 39 42 THR HA H 4.406 0.001 1 379 39 42 THR HB H 4.035 0.001 1 380 39 42 THR HG2 H 1.100 0.001 1 381 39 42 THR C C 174.350 0.01 1 382 39 42 THR CA C 63.830 0.01 1 383 39 42 THR CB C 71.130 0.01 1 384 39 42 THR N N 115.250 0.01 1 385 40 43 ILE H H 9.220 0.001 1 386 40 43 ILE HA H 4.365 0.001 1 387 40 43 ILE HB H 1.794 0.001 1 388 40 43 ILE HD1 H 0.745 0.001 1 389 40 43 ILE HG12 H 1.731 0.001 2 390 40 43 ILE HG13 H 1.286 0.001 2 391 40 43 ILE HG2 H 0.795 0.001 1 392 40 43 ILE C C 175.590 0.01 1 393 40 43 ILE CA C 56.380 0.01 1 394 40 43 ILE CB C 36.800 0.01 1 395 40 43 ILE N N 127.960 0.01 1 396 41 44 PRO HD2 H 3.739 0.001 2 397 41 44 PRO HD3 H 3.508 0.001 2 398 42 45 PRO HA H 4.103 0.001 1 399 42 45 PRO HB2 H 2.160 0.001 2 400 42 45 PRO HB3 H 1.880 0.001 2 401 42 45 PRO HG2 H 2.104 0.001 2 402 42 45 PRO HG3 H 1.945 0.001 2 403 42 45 PRO C C 178.930 0.01 1 404 42 45 PRO CA C 63.190 0.01 1 405 42 45 PRO CB C 32.190 0.01 1 406 43 46 ASP H H 9.290 0.001 1 407 43 46 ASP HA H 4.335 0.001 1 408 43 46 ASP HB2 H 3.168 0.001 2 409 43 46 ASP HB3 H 2.560 0.001 2 410 43 46 ASP C C 174.090 0.01 1 411 43 46 ASP CA C 56.850 0.01 1 412 43 46 ASP CB C 40.700 0.01 1 413 43 46 ASP N N 119.690 0.01 1 414 44 47 HIS H H 8.099 0.001 1 415 44 47 HIS HA H 5.317 0.001 1 416 44 47 HIS HB2 H 3.349 0.001 2 417 44 47 HIS HB3 H 2.512 0.001 2 418 44 47 HIS HD2 H 7.501 0.001 1 419 44 47 HIS HE1 H 8.713 0.001 1 420 44 47 HIS C C 174.140 0.01 1 421 44 47 HIS CA C 54.020 0.01 1 422 44 47 HIS CB C 30.770 0.01 1 423 44 47 HIS N N 114.640 0.01 1 424 45 48 VAL H H 8.857 0.001 1 425 45 48 VAL HA H 3.984 0.001 1 426 45 48 VAL HB H 2.241 0.001 1 427 45 48 VAL HG1 H 0.779 0.001 1 428 45 48 VAL HG2 H 0.622 0.001 1 429 45 48 VAL C C 175.910 0.01 1 430 45 48 VAL CA C 64.890 0.01 1 431 45 48 VAL CB C 32.690 0.01 1 432 45 48 VAL N N 121.180 0.01 1 433 46 49 ILE H H 9.353 0.001 1 434 46 49 ILE HA H 4.026 0.001 1 435 46 49 ILE HB H 1.393 0.001 1 436 46 49 ILE HD1 H 0.780 0.001 1 437 46 49 ILE HG12 H 1.393 0.001 2 438 46 49 ILE HG13 H 1.350 0.001 2 439 46 49 ILE HG2 H 0.927 0.001 1 440 46 49 ILE C C 176.100 0.01 1 441 46 49 ILE CA C 63.620 0.01 1 442 46 49 ILE CB C 41.480 0.01 1 443 46 49 ILE N N 130.410 0.01 1 444 47 50 GLY H H 7.384 0.001 1 445 47 50 GLY HA2 H 4.314 0.001 2 446 47 50 GLY HA3 H 4.137 0.001 2 447 47 50 GLY C C 170.840 0.01 1 448 47 50 GLY CA C 44.230 0.01 1 449 47 50 GLY N N 105.970 0.01 1 450 48 51 THR H H 8.454 0.001 1 451 48 51 THR HA H 5.333 0.001 1 452 48 51 THR HB H 4.038 0.001 1 453 48 51 THR HG1 H 5.763 0.001 1 454 48 51 THR HG2 H 0.841 0.001 1 455 48 51 THR C C 173.650 0.01 1 456 48 51 THR CA C 59.030 0.01 1 457 48 51 THR CB C 72.760 0.01 1 458 48 51 THR N N 108.980 0.01 1 459 49 52 ASP H H 8.773 0.001 1 460 49 52 ASP HA H 4.662 0.001 1 461 49 52 ASP HB2 H 2.605 0.001 2 462 49 52 ASP HB3 H 2.386 0.001 2 463 49 52 ASP C C 174.140 0.01 1 464 49 52 ASP CA C 51.840 0.01 1 465 49 52 ASP CB C 44.670 0.01 1 466 49 52 ASP N N 119.410 0.01 1 467 50 53 PRO HA H 4.779 0.001 1 468 50 53 PRO HB2 H 2.460 0.001 2 469 50 53 PRO HB3 H 1.790 0.001 2 470 50 53 PRO HD2 H 3.840 0.001 2 471 50 53 PRO HD3 H 3.697 0.001 2 472 50 53 PRO HG2 H 1.934 0.001 2 473 50 53 PRO HG3 H 1.903 0.001 2 474 50 53 PRO C C 174.870 0.01 1 475 50 53 PRO CA C 63.280 0.01 1 476 50 53 PRO CB C 35.030 0.01 1 477 51 54 ALA H H 8.437 0.001 1 478 51 54 ALA HA H 4.330 0.001 1 479 51 54 ALA HB H 1.436 0.001 1 480 51 54 ALA C C 177.520 0.01 1 481 51 54 ALA CA C 51.890 0.01 1 482 51 54 ALA CB C 20.990 0.01 1 483 51 54 ALA N N 122.250 0.01 1 484 52 55 ALA H H 8.390 0.001 1 485 52 55 ALA HA H 3.568 0.001 1 486 52 55 ALA HB H 1.331 0.001 1 487 52 55 ALA C C 177.620 0.01 1 488 52 55 ALA CA C 53.780 0.01 1 489 52 55 ALA CB C 19.070 0.01 1 490 52 55 ALA N N 121.760 0.01 1 491 53 56 ASN H H 9.495 0.001 1 492 53 56 ASN HA H 4.155 0.001 1 493 53 56 ASN HB2 H 3.217 0.001 2 494 53 56 ASN HB3 H 2.953 0.001 2 495 53 56 ASN HD21 H 7.601 0.001 2 496 53 56 ASN HD22 H 7.148 0.001 2 497 53 56 ASN C C 174.690 0.01 1 498 53 56 ASN CA C 55.480 0.01 1 499 53 56 ASN CB C 37.650 0.01 1 500 53 56 ASN N N 113.830 0.01 1 501 53 56 ASN ND2 N 114.560 0.01 1 502 54 57 THR H H 7.738 0.001 1 503 54 57 THR HA H 4.245 0.001 1 504 54 57 THR HB H 3.953 0.001 1 505 54 57 THR HG2 H 1.237 0.001 1 506 54 57 THR C C 173.590 0.01 1 507 54 57 THR CA C 63.710 0.01 1 508 54 57 THR CB C 69.920 0.01 1 509 54 57 THR N N 115.580 0.01 1 510 55 58 SER H H 8.776 0.001 1 511 55 58 SER HA H 4.978 0.001 1 512 55 58 SER HB2 H 3.766 0.001 2 513 55 58 SER HB3 H 3.750 0.001 2 514 55 58 SER C C 173.820 0.01 1 515 55 58 SER CA C 58.840 0.01 1 516 55 58 SER CB C 63.680 0.01 1 517 55 58 SER N N 120.560 0.01 1 518 56 59 VAL H H 9.059 0.001 1 519 56 59 VAL HA H 4.687 0.001 1 520 56 59 VAL HB H 2.630 0.001 1 521 56 59 VAL HG1 H 0.806 0.001 1 522 56 59 VAL HG2 H 0.690 0.001 1 523 56 59 VAL C C 174.310 0.01 1 524 56 59 VAL CA C 59.410 0.01 1 525 56 59 VAL CB C 35.170 0.01 1 526 56 59 VAL N N 122.140 0.01 1 527 57 60 SER H H 8.159 0.001 1 528 57 60 SER HA H 4.816 0.001 1 529 57 60 SER HB2 H 3.831 0.001 2 530 57 60 SER HB3 H 3.795 0.001 2 531 57 60 SER C C 174.030 0.01 1 532 57 60 SER CA C 58.370 0.01 1 533 57 60 SER CB C 64.460 0.01 1 534 57 60 SER N N 115.750 0.01 1 535 58 61 ALA H H 8.668 0.001 1 536 58 61 ALA HA H 4.021 0.001 1 537 58 61 ALA HB H 1.234 0.001 1 538 58 61 ALA C C 179.980 0.01 1 539 58 61 ALA CA C 53.120 0.01 1 540 58 61 ALA CB C 18.010 0.01 1 541 58 61 ALA N N 125.770 0.01 1 542 59 62 GLY H H 8.456 0.001 1 543 59 62 GLY HA2 H 4.100 0.001 2 544 59 62 GLY HA3 H 4.045 0.001 2 545 59 62 GLY C C 174.580 0.01 1 546 59 62 GLY CA C 45.130 0.01 1 547 59 62 GLY N N 110.930 0.01 1 548 60 63 ASP H H 7.751 0.001 1 549 60 63 ASP HA H 4.542 0.001 1 550 60 63 ASP HB2 H 3.037 0.001 2 551 60 63 ASP HB3 H 2.568 0.001 2 552 60 63 ASP C C 174.620 0.01 1 553 60 63 ASP CA C 54.730 0.01 1 554 60 63 ASP CB C 41.130 0.01 1 555 60 63 ASP N N 119.680 0.01 1 556 61 64 GLU H H 8.283 0.001 1 557 61 64 GLU HA H 4.624 0.001 1 558 61 64 GLU HB2 H 1.820 0.001 2 559 61 64 GLU HB3 H 1.820 0.001 2 560 61 64 GLU HG2 H 2.005 0.001 2 561 61 64 GLU HG3 H 2.005 0.001 2 562 61 64 GLU C C 175.110 0.01 1 563 61 64 GLU CA C 55.530 0.01 1 564 61 64 GLU CB C 30.990 0.01 1 565 61 64 GLU N N 119.160 0.01 1 566 62 65 ILE H H 9.100 0.001 1 567 62 65 ILE HA H 4.335 0.001 1 568 62 65 ILE HB H 1.830 0.001 1 569 62 65 ILE HD1 H 0.132 0.001 1 570 62 65 ILE HG12 H 1.463 0.001 2 571 62 65 ILE HG13 H 1.355 0.001 2 572 62 65 ILE HG2 H 0.622 0.001 1 573 62 65 ILE C C 175.250 0.01 1 574 62 65 ILE CA C 58.370 0.01 1 575 62 65 ILE CB C 38.860 0.01 1 576 62 65 ILE N N 129.600 0.01 1 577 63 66 THR H H 8.788 0.001 1 578 63 66 THR HA H 4.824 0.001 1 579 63 66 THR HB H 4.280 0.001 1 580 63 66 THR HG2 H 0.969 0.001 1 581 63 66 THR C C 173.460 0.01 1 582 63 66 THR CA C 62.620 0.01 1 583 63 66 THR CB C 69.430 0.01 1 584 63 66 THR N N 123.450 0.01 1 585 64 67 VAL H H 9.343 0.001 1 586 64 67 VAL HA H 3.825 0.001 1 587 64 67 VAL HB H 1.923 0.001 1 588 64 67 VAL HG1 H 0.710 0.001 1 589 64 67 VAL HG2 H 0.634 0.001 1 590 64 67 VAL C C 173.570 0.01 1 591 64 67 VAL CA C 61.680 0.01 1 592 64 67 VAL CB C 33.260 0.01 1 593 64 67 VAL N N 128.900 0.01 1 594 65 68 ASN H H 8.332 0.001 1 595 65 68 ASN HA H 5.330 0.001 1 596 65 68 ASN HB2 H 2.715 0.001 2 597 65 68 ASN HB3 H 2.032 0.001 2 598 65 68 ASN HD21 H 6.734 0.001 2 599 65 68 ASN HD22 H 6.400 0.001 2 600 65 68 ASN C C 173.840 0.01 1 601 65 68 ASN CA C 52.880 0.01 1 602 65 68 ASN CB C 40.210 0.01 1 603 65 68 ASN N N 125.880 0.01 1 604 65 68 ASN ND2 N 110.730 0.01 1 605 66 69 VAL H H 9.703 0.001 1 606 66 69 VAL HA H 4.035 0.001 1 607 66 69 VAL HB H 1.976 0.001 1 608 66 69 VAL HG1 H 0.953 0.001 1 609 66 69 VAL HG2 H 0.818 0.001 1 610 66 69 VAL C C 174.120 0.01 1 611 66 69 VAL CA C 62.620 0.01 1 612 66 69 VAL CB C 34.110 0.01 1 613 66 69 VAL N N 128.900 0.01 1 614 67 70 SER H H 8.619 0.001 1 615 67 70 SER HA H 5.420 0.001 1 616 67 70 SER HB2 H 4.062 0.001 2 617 67 70 SER HB3 H 3.526 0.001 2 618 67 70 SER C C 178.130 0.01 1 619 67 70 SER CA C 56.900 0.01 1 620 67 70 SER CB C 64.670 0.01 1 621 67 70 SER N N 118.420 0.01 1 622 68 71 THR H H 8.712 0.001 1 623 68 71 THR HA H 4.644 0.001 1 624 68 71 THR HB H 4.465 0.001 1 625 68 71 THR HG2 H 1.180 0.001 1 626 68 71 THR C C 175.510 0.01 1 627 68 71 THR CA C 60.830 0.01 1 628 68 71 THR CB C 68.580 0.01 1 629 68 71 THR N N 118.490 0.01 1 630 69 72 GLY H H 9.077 0.001 1 631 69 72 GLY HA2 H 4.462 0.001 2 632 69 72 GLY HA3 H 3.920 0.001 2 633 69 72 GLY CA C 44.040 0.01 1 634 69 72 GLY N N 112.170 0.01 1 635 70 73 PRO HA H 4.261 0.001 1 636 70 73 PRO HD2 H 3.701 0.001 2 637 70 73 PRO HD3 H 3.544 0.001 2 638 70 73 PRO C C 177.510 0.01 1 639 70 73 PRO CA C 62.620 0.01 1 640 70 73 PRO CB C 32.830 0.01 1 641 71 74 GLU H H 9.093 0.001 1 642 71 74 GLU HA H 3.936 0.001 1 643 71 74 GLU HB2 H 1.788 0.001 2 644 71 74 GLU HB3 H 1.853 0.001 2 645 71 74 GLU HG2 H 2.249 0.001 2 646 71 74 GLU HG3 H 2.004 0.001 2 647 71 74 GLU C C 175.020 0.01 1 648 71 74 GLU CA C 57.470 0.01 1 649 71 74 GLU CB C 30.140 0.01 1 650 71 74 GLU N N 123.580 0.01 1 651 72 75 GLN H H 8.594 0.001 1 652 72 75 GLN HA H 4.808 0.001 1 653 72 75 GLN HB2 H 1.819 0.001 2 654 72 75 GLN HB3 H 1.761 0.001 2 655 72 75 GLN HE21 H 7.613 0.001 2 656 72 75 GLN HE22 H 6.801 0.001 2 657 72 75 GLN HG2 H 2.415 0.001 2 658 72 75 GLN HG3 H 2.020 0.001 2 659 72 75 GLN C C 175.680 0.01 1 660 72 75 GLN CA C 54.210 0.01 1 661 72 75 GLN CB C 30.210 0.01 1 662 72 75 GLN N N 122.770 0.01 1 663 72 75 GLN NE2 N 111.600 0.01 1 664 73 76 ARG H H 8.514 0.001 1 665 73 76 ARG HA H 4.736 0.001 1 666 73 76 ARG HB2 H 1.880 0.001 2 667 73 76 ARG HB3 H 1.830 0.001 2 668 73 76 ARG HD2 H 3.283 0.001 2 669 73 76 ARG HD3 H 3.051 0.001 2 670 73 76 ARG HE H 7.202 0.001 1 671 73 76 ARG HG2 H 1.420 0.001 2 672 73 76 ARG HG3 H 1.380 0.001 2 673 73 76 ARG C C 174.810 0.01 1 674 73 76 ARG CA C 53.730 0.01 1 675 73 76 ARG CB C 35.100 0.01 1 676 73 76 ARG N N 120.870 0.01 1 677 73 76 ARG NE N 84.590 0.01 1 678 74 77 GLU H H 8.744 0.001 1 679 74 77 GLU HA H 4.405 0.001 1 680 74 77 GLU HB2 H 1.905 0.001 2 681 74 77 GLU HB3 H 1.808 0.001 2 682 74 77 GLU HG2 H 2.123 0.001 2 683 74 77 GLU HG3 H 2.123 0.001 2 684 74 77 GLU C C 176.520 0.01 1 685 74 77 GLU CA C 56.290 0.01 1 686 74 77 GLU CB C 30.140 0.01 1 687 74 77 GLU N N 121.760 0.01 1 688 75 78 ILE H H 8.504 0.001 1 689 75 78 ILE HA H 3.986 0.001 1 690 75 78 ILE HB H 1.880 0.001 1 691 75 78 ILE HD1 H 0.255 0.001 1 692 75 78 ILE HG12 H 1.380 0.001 2 693 75 78 ILE HG13 H 1.052 0.001 2 694 75 78 ILE HG2 H 0.579 0.001 1 695 75 78 ILE C C 174.770 0.01 1 696 75 78 ILE CA C 58.410 0.01 1 697 75 78 ILE CB C 38.290 0.01 1 698 75 78 ILE N N 128.040 0.01 1 699 76 79 PRO HA H 4.594 0.001 1 700 76 79 PRO HB2 H 2.304 0.001 2 701 76 79 PRO HB3 H 1.632 0.001 2 702 76 79 PRO HD2 H 3.623 0.001 2 703 76 79 PRO HD3 H 3.607 0.001 2 704 76 79 PRO HG2 H 1.909 0.001 2 705 76 79 PRO HG3 H 1.762 0.001 2 706 76 79 PRO C C 175.630 0.01 1 707 76 79 PRO CA C 61.870 0.01 1 708 76 79 PRO CB C 32.190 0.01 1 709 77 80 ASP H H 8.764 0.001 1 710 77 80 ASP HA H 4.424 0.001 1 711 77 80 ASP HB2 H 2.856 0.001 2 712 77 80 ASP HB3 H 2.527 0.001 2 713 77 80 ASP C C 176.960 0.01 1 714 77 80 ASP CA C 54.730 0.01 1 715 77 80 ASP CB C 40.850 0.01 1 716 77 80 ASP N N 118.720 0.01 1 717 78 81 VAL H H 7.786 0.001 1 718 78 81 VAL HA H 4.432 0.001 1 719 78 81 VAL HB H 2.500 0.001 1 720 78 81 VAL HG1 H 0.730 0.001 1 721 78 81 VAL HG2 H 0.730 0.001 1 722 78 81 VAL C C 174.110 0.01 1 723 78 81 VAL CA C 59.830 0.01 1 724 78 81 VAL CB C 31.130 0.01 1 725 78 81 VAL N N 119.780 0.01 1 726 79 82 SER H H 8.202 0.001 1 727 79 82 SER HA H 3.854 0.001 1 728 79 82 SER HB2 H 3.693 0.001 2 729 79 82 SER HB3 H 3.622 0.001 2 730 79 82 SER C C 177.390 0.01 1 731 79 82 SER CA C 59.600 0.01 1 732 79 82 SER CB C 64.040 0.01 1 733 79 82 SER N N 116.700 0.01 1 734 80 83 THR H H 9.919 0.001 1 735 80 83 THR HA H 3.696 0.001 1 736 80 83 THR HB H 3.862 0.001 1 737 80 83 THR HG2 H 1.180 0.001 1 738 80 83 THR C C 172.470 0.01 1 739 80 83 THR CA C 66.500 0.01 1 740 80 83 THR CB C 69.850 0.01 1 741 80 83 THR N N 115.030 0.01 1 742 81 84 LEU H H 7.161 0.001 1 743 81 84 LEU HA H 4.566 0.001 1 744 81 84 LEU HB2 H 1.789 0.001 2 745 81 84 LEU HB3 H 1.756 0.001 2 746 81 84 LEU HD1 H 0.750 0.001 1 747 81 84 LEU HD2 H 0.750 0.001 1 748 81 84 LEU HG H 1.430 0.001 1 749 81 84 LEU C C 177.300 0.01 1 750 81 84 LEU CA C 54.540 0.01 1 751 81 84 LEU CB C 42.620 0.01 1 752 81 84 LEU N N 121.090 0.01 1 753 82 85 THR H H 8.159 0.001 1 754 82 85 THR HA H 4.596 0.001 1 755 82 85 THR HB H 4.080 0.001 1 756 82 85 THR HG2 H 1.377 0.001 1 757 82 85 THR C C 175.450 0.01 1 758 82 85 THR CA C 61.870 0.01 1 759 82 85 THR CB C 71.130 0.01 1 760 82 85 THR N N 108.170 0.01 1 761 83 86 TYR H H 9.325 0.001 1 762 83 86 TYR HA H 3.604 0.001 1 763 83 86 TYR HB2 H 2.920 0.001 2 764 83 86 TYR HB3 H 2.861 0.001 2 765 83 86 TYR HD1 H 6.733 0.001 3 766 83 86 TYR HD2 H 6.733 0.001 3 767 83 86 TYR HE1 H 6.544 0.001 3 768 83 86 TYR HE2 H 6.544 0.001 3 769 83 86 TYR C C 176.580 0.01 1 770 83 86 TYR CA C 63.760 0.01 1 771 83 86 TYR CB C 38.650 0.01 1 772 83 86 TYR N N 122.150 0.01 1 773 84 87 ALA H H 8.738 0.001 1 774 84 87 ALA HA H 3.858 0.001 1 775 84 87 ALA HB H 1.419 0.001 1 776 84 87 ALA C C 181.720 0.01 1 777 84 87 ALA CA C 55.150 0.01 1 778 84 87 ALA CB C 18.650 0.01 1 779 84 87 ALA N N 117.770 0.01 1 780 85 88 GLU H H 7.603 0.001 1 781 85 88 GLU HA H 3.892 0.001 1 782 85 88 GLU HB2 H 2.016 0.001 2 783 85 88 GLU HB3 H 1.901 0.001 2 784 85 88 GLU HG2 H 2.398 0.001 2 785 85 88 GLU HG3 H 2.244 0.001 2 786 85 88 GLU C C 179.270 0.01 1 787 85 88 GLU CA C 58.700 0.01 1 788 85 88 GLU CB C 30.490 0.01 1 789 85 88 GLU N N 118.040 0.01 1 790 86 89 ALA H H 8.851 0.001 1 791 86 89 ALA HA H 3.823 0.001 1 792 86 89 ALA HB H 1.327 0.001 1 793 86 89 ALA C C 178.990 0.01 1 794 86 89 ALA CA C 55.620 0.01 1 795 86 89 ALA CB C 18.860 0.01 1 796 86 89 ALA N N 125.310 0.01 1 797 87 90 VAL H H 8.284 0.001 1 798 87 90 VAL HA H 2.486 0.001 1 799 87 90 VAL HB H 1.633 0.001 1 800 87 90 VAL HG1 H 0.462 0.001 1 801 87 90 VAL HG2 H -0.030 0.001 1 802 87 90 VAL C C 179.630 0.01 1 803 87 90 VAL CA C 66.970 0.01 1 804 87 90 VAL CB C 31.480 0.01 1 805 87 90 VAL N N 118.600 0.01 1 806 88 91 LYS H H 7.484 0.001 1 807 88 91 LYS HA H 3.901 0.001 1 808 88 91 LYS HB2 H 1.884 0.001 2 809 88 91 LYS HB3 H 1.839 0.001 2 810 88 91 LYS HD2 H 1.633 0.001 2 811 88 91 LYS HE2 H 2.916 0.001 2 812 88 91 LYS HG2 H 1.525 0.001 2 813 88 91 LYS HG3 H 1.355 0.001 2 814 88 91 LYS C C 179.200 0.01 1 815 88 91 LYS CA C 60.540 0.01 1 816 88 91 LYS CB C 32.550 0.01 1 817 88 91 LYS N N 122.090 0.01 1 818 89 92 LYS H H 7.781 0.001 1 819 89 92 LYS HA H 4.093 0.001 1 820 89 92 LYS HB2 H 1.830 0.001 2 821 89 92 LYS HB3 H 1.673 0.001 2 822 89 92 LYS HD2 H 1.548 0.001 2 823 89 92 LYS HE2 H 2.897 0.001 2 824 89 92 LYS HG2 H 1.440 0.001 2 825 89 92 LYS HG3 H 1.260 0.001 2 826 89 92 LYS C C 179.940 0.01 1 827 89 92 LYS CA C 59.500 0.01 1 828 89 92 LYS CB C 32.760 0.01 1 829 89 92 LYS N N 120.920 0.01 1 830 90 93 LEU H H 8.800 0.001 1 831 90 93 LEU HA H 4.011 0.001 1 832 90 93 LEU HB2 H 1.743 0.001 2 833 90 93 LEU HB3 H 1.603 0.001 2 834 90 93 LEU HD1 H 0.745 0.001 1 835 90 93 LEU HD2 H 0.553 0.001 1 836 90 93 LEU HG H 1.396 0.001 1 837 90 93 LEU C C 179.230 0.01 1 838 90 93 LEU CA C 58.790 0.01 1 839 90 93 LEU CB C 43.040 0.01 1 840 90 93 LEU N N 120.600 0.01 1 841 91 94 THR H H 8.631 0.001 1 842 91 94 THR HA H 4.994 0.001 1 843 91 94 THR HB H 4.322 0.001 1 844 91 94 THR HG2 H 1.360 0.001 1 845 91 94 THR C C 179.270 0.01 1 846 91 94 THR CA C 66.120 0.01 1 847 91 94 THR CB C 69.210 0.01 1 848 91 94 THR N N 118.010 0.01 1 849 92 95 ALA H H 7.933 0.001 1 850 92 95 ALA HA H 4.191 0.001 1 851 92 95 ALA HB H 1.531 0.001 1 852 92 95 ALA C C 178.870 0.01 1 853 92 95 ALA CA C 54.920 0.01 1 854 92 95 ALA CB C 17.650 0.01 1 855 92 95 ALA N N 126.270 0.01 1 856 93 96 ALA H H 7.390 0.001 1 857 93 96 ALA HA H 4.445 0.001 1 858 93 96 ALA HB H 1.805 0.001 1 859 93 96 ALA C C 176.670 0.01 1 860 93 96 ALA CA C 52.650 0.01 1 861 93 96 ALA CB C 19.140 0.01 1 862 93 96 ALA N N 118.190 0.01 1 863 94 97 GLY H H 7.716 0.001 1 864 94 97 GLY HA2 H 4.139 0.001 2 865 94 97 GLY HA3 H 3.536 0.001 2 866 94 97 GLY C C 173.760 0.01 1 867 94 97 GLY CA C 44.510 0.01 1 868 94 97 GLY N N 103.830 0.01 1 869 95 98 PHE H H 7.907 0.001 1 870 95 98 PHE HA H 4.416 0.001 1 871 95 98 PHE HB2 H 2.779 0.001 2 872 95 98 PHE HB3 H 2.751 0.001 2 873 95 98 PHE HD1 H 7.411 0.001 3 874 95 98 PHE HD2 H 7.411 0.001 3 875 95 98 PHE HE1 H 7.018 0.001 3 876 95 98 PHE HE2 H 7.018 0.001 3 877 95 98 PHE HZ H 7.212 0.001 1 878 95 98 PHE C C 174.750 0.01 1 879 95 98 PHE CA C 59.600 0.01 1 880 95 98 PHE CB C 39.640 0.01 1 881 95 98 PHE N N 119.840 0.01 1 882 96 99 GLY H H 7.865 0.001 1 883 96 99 GLY HA2 H 4.470 0.001 2 884 96 99 GLY HA3 H 3.610 0.001 2 885 96 99 GLY C C 172.590 0.01 1 886 96 99 GLY CA C 45.930 0.01 1 887 96 99 GLY N N 104.410 0.01 1 888 97 100 ARG H H 7.707 0.001 1 889 97 100 ARG HA H 4.351 0.001 1 890 97 100 ARG HB2 H 1.396 0.001 2 891 97 100 ARG HB3 H 0.836 0.001 2 892 97 100 ARG HD2 H 3.096 0.001 2 893 97 100 ARG HD3 H 2.967 0.001 2 894 97 100 ARG HE H 7.053 0.001 1 895 97 100 ARG HG2 H 1.574 0.001 2 896 97 100 ARG HG3 H 1.532 0.001 2 897 97 100 ARG C C 173.160 0.01 1 898 97 100 ARG CA C 55.150 0.01 1 899 97 100 ARG CB C 32.620 0.01 1 900 97 100 ARG N N 123.000 0.01 1 901 97 100 ARG NE N 84.790 0.01 1 902 98 101 PHE H H 8.270 0.001 1 903 98 101 PHE HA H 5.892 0.001 1 904 98 101 PHE HB2 H 3.180 0.001 2 905 98 101 PHE HB3 H 2.676 0.001 2 906 98 101 PHE HD1 H 7.178 0.001 3 907 98 101 PHE HD2 H 7.178 0.001 3 908 98 101 PHE HE1 H 7.010 0.001 3 909 98 101 PHE HE2 H 7.010 0.001 3 910 98 101 PHE HZ H 6.807 0.001 1 911 98 101 PHE C C 175.780 0.01 1 912 98 101 PHE CA C 55.770 0.01 1 913 98 101 PHE CB C 43.610 0.01 1 914 98 101 PHE N N 121.420 0.01 1 915 99 102 LYS H H 8.244 0.001 1 916 99 102 LYS HA H 4.590 0.001 1 917 99 102 LYS HB2 H 1.735 0.001 2 918 99 102 LYS HB3 H 1.640 0.001 2 919 99 102 LYS HD2 H 1.538 0.001 2 920 99 102 LYS HE2 H 2.958 0.001 2 921 99 102 LYS HG2 H 1.357 0.001 2 922 99 102 LYS HG3 H 1.316 0.001 2 923 99 102 LYS C C 173.480 0.01 1 924 99 102 LYS CA C 55.580 0.01 1 925 99 102 LYS CB C 37.020 0.01 1 926 99 102 LYS N N 121.070 0.01 1 927 100 103 GLN H H 8.835 0.001 1 928 100 103 GLN HA H 5.139 0.001 1 929 100 103 GLN HB2 H 1.757 0.001 2 930 100 103 GLN HB3 H 1.713 0.001 2 931 100 103 GLN HE21 H 6.827 0.001 2 932 100 103 GLN HE22 H 6.420 0.001 2 933 100 103 GLN HG2 H 2.088 0.001 2 934 100 103 GLN HG3 H 1.977 0.001 2 935 100 103 GLN C C 175.280 0.01 1 936 100 103 GLN CA C 55.770 0.01 1 937 100 103 GLN CB C 29.990 0.01 1 938 100 103 GLN N N 125.470 0.01 1 939 100 103 GLN NE2 N 109.930 0.01 1 940 101 104 ALA H H 8.982 0.001 1 941 101 104 ALA HA H 4.667 0.001 1 942 101 104 ALA HB H 1.265 0.001 1 943 101 104 ALA C C 174.900 0.01 1 944 101 104 ALA CA C 50.800 0.01 1 945 101 104 ALA CB C 22.970 0.01 1 946 101 104 ALA N N 130.430 0.01 1 947 102 105 ASN H H 8.694 0.001 1 948 102 105 ASN HA H 5.991 0.001 1 949 102 105 ASN HB2 H 2.551 0.001 2 950 102 105 ASN HB3 H 2.539 0.001 2 951 102 105 ASN HD21 H 7.365 0.001 2 952 102 105 ASN HD22 H 6.989 0.001 2 953 102 105 ASN C C 175.230 0.01 1 954 102 105 ASN CA C 52.460 0.01 1 955 102 105 ASN CB C 42.120 0.01 1 956 102 105 ASN N N 118.440 0.01 1 957 102 105 ASN ND2 N 113.030 0.01 1 958 103 106 SER H H 8.285 0.001 1 959 103 106 SER HA H 4.966 0.001 1 960 103 106 SER HB2 H 3.488 0.001 2 961 103 106 SER HB3 H 3.474 0.001 2 962 103 106 SER C C 171.560 0.01 1 963 103 106 SER CA C 55.580 0.01 1 964 103 106 SER CB C 67.020 0.01 1 965 103 106 SER N N 116.770 0.01 1 966 104 107 PRO HA H 4.689 0.001 1 967 104 107 PRO HB2 H 2.376 0.001 2 968 104 107 PRO HB3 H 1.825 0.001 2 969 104 107 PRO HD2 H 3.880 0.001 2 970 104 107 PRO HD3 H 3.685 0.001 2 971 104 107 PRO HG2 H 2.057 0.001 2 972 104 107 PRO HG3 H 2.043 0.001 2 973 104 107 PRO C C 176.270 0.01 1 974 104 107 PRO CA C 63.760 0.01 1 975 104 107 PRO CB C 32.480 0.01 1 976 105 108 SER H H 8.788 0.001 1 977 105 108 SER HA H 3.505 0.001 1 978 105 108 SER HB2 H 4.937 0.001 2 979 105 108 SER HB3 H 3.689 0.001 2 980 105 108 SER C C 173.710 0.01 1 981 105 108 SER CA C 57.560 0.01 1 982 105 108 SER CB C 69.360 0.01 1 983 105 108 SER N N 117.710 0.01 1 984 106 109 THR H H 7.979 0.001 1 985 106 109 THR HA H 4.607 0.001 1 986 106 109 THR HB H 3.990 0.001 1 987 106 109 THR HG2 H 1.357 0.001 1 988 106 109 THR C C 175.830 0.01 1 989 106 109 THR CA C 60.640 0.01 1 990 106 109 THR CB C 67.650 0.01 1 991 106 109 THR N N 110.000 0.01 1 992 107 110 PRO HA H 3.920 0.001 1 993 107 110 PRO HB2 H 2.333 0.001 2 994 107 110 PRO HB3 H 1.902 0.001 2 995 107 110 PRO HG2 H 2.208 0.001 2 996 107 110 PRO HG3 H 2.180 0.001 2 997 107 110 PRO C C 179.500 0.01 1 998 107 110 PRO CA C 65.880 0.01 1 999 107 110 PRO CB C 31.630 0.01 1 1000 108 111 GLU H H 9.073 0.001 1 1001 108 111 GLU HA H 4.158 0.001 1 1002 108 111 GLU HB2 H 2.016 0.001 2 1003 108 111 GLU HB3 H 1.899 0.001 2 1004 108 111 GLU HG2 H 2.355 0.001 2 1005 108 111 GLU HG3 H 2.193 0.001 2 1006 108 111 GLU C C 177.280 0.01 1 1007 108 111 GLU CA C 58.890 0.01 1 1008 108 111 GLU CB C 28.290 0.01 1 1009 108 111 GLU N N 115.700 0.01 1 1010 109 112 LEU H H 7.361 0.001 1 1011 109 112 LEU HA H 4.289 0.001 1 1012 109 112 LEU HB2 H 1.833 0.001 2 1013 109 112 LEU HB3 H 1.461 0.001 2 1014 109 112 LEU HD1 H 0.923 0.001 1 1015 109 112 LEU HD2 H 0.780 0.001 1 1016 109 112 LEU HG H 1.387 0.001 1 1017 109 112 LEU C C 175.910 0.01 1 1018 109 112 LEU CA C 53.880 0.01 1 1019 109 112 LEU CB C 42.830 0.01 1 1020 109 112 LEU N N 120.140 0.01 1 1021 110 113 VAL H H 7.025 0.001 1 1022 110 113 VAL HA H 3.242 0.001 1 1023 110 113 VAL HB H 1.867 0.001 1 1024 110 113 VAL HG1 H 0.876 0.001 1 1025 110 113 VAL HG2 H 0.846 0.001 1 1026 110 113 VAL C C 178.570 0.01 1 1027 110 113 VAL CA C 65.220 0.01 1 1028 110 113 VAL CB C 31.480 0.01 1 1029 110 113 VAL N N 121.050 0.01 1 1030 111 114 GLY H H 9.058 0.001 1 1031 111 114 GLY HA2 H 4.148 0.001 2 1032 111 114 GLY HA3 H 3.579 0.001 2 1033 111 114 GLY C C 173.590 0.01 1 1034 111 114 GLY CA C 45.890 0.01 1 1035 111 114 GLY N N 115.440 0.01 1 1036 112 115 LYS H H 8.356 0.001 1 1037 112 115 LYS HA H 4.856 0.001 1 1038 112 115 LYS HB2 H 1.680 0.001 2 1039 112 115 LYS HB3 H 1.649 0.001 2 1040 112 115 LYS HD2 H 1.506 0.001 2 1041 112 115 LYS HG2 H 1.356 0.001 2 1042 112 115 LYS HG3 H 1.321 0.001 2 1043 112 115 LYS C C 174.960 0.01 1 1044 112 115 LYS CA C 52.790 0.01 1 1045 112 115 LYS CB C 35.670 0.01 1 1046 112 115 LYS N N 120.510 0.01 1 1047 113 116 VAL H H 9.207 0.001 1 1048 113 116 VAL HA H 4.286 0.001 1 1049 113 116 VAL HB H 2.215 0.001 1 1050 113 116 VAL HG1 H 0.754 0.001 1 1051 113 116 VAL HG2 H 0.710 0.001 1 1052 113 116 VAL C C 177.450 0.01 1 1053 113 116 VAL CA C 63.800 0.01 1 1054 113 116 VAL CB C 31.770 0.01 1 1055 113 116 VAL N N 120.140 0.01 1 1056 114 117 ILE H H 9.619 0.001 1 1057 114 117 ILE HA H 4.299 0.001 1 1058 114 117 ILE HB H 1.779 0.001 1 1059 114 117 ILE HD1 H 0.754 0.001 1 1060 114 117 ILE HG12 H 1.580 0.001 2 1061 114 117 ILE HG13 H 1.385 0.001 2 1062 114 117 ILE HG2 H 0.947 0.001 1 1063 114 117 ILE C C 176.580 0.01 1 1064 114 117 ILE CA C 61.630 0.01 1 1065 114 117 ILE CB C 39.500 0.01 1 1066 114 117 ILE N N 126.610 0.01 1 1067 115 118 GLY H H 7.574 0.001 1 1068 115 118 GLY HA2 H 4.300 0.001 2 1069 115 118 GLY HA3 H 4.181 0.001 2 1070 115 118 GLY C C 170.210 0.01 1 1071 115 118 GLY CA C 44.560 0.01 1 1072 115 118 GLY N N 108.440 0.01 1 1073 116 119 THR H H 8.288 0.001 1 1074 116 119 THR HA H 5.364 0.001 1 1075 116 119 THR HB H 4.080 0.001 1 1076 116 119 THR HG1 H 6.185 0.001 1 1077 116 119 THR HG2 H 0.903 0.001 1 1078 116 119 THR C C 174.940 0.01 1 1079 116 119 THR CA C 59.310 0.01 1 1080 116 119 THR CB C 73.470 0.01 1 1081 116 119 THR N N 107.600 0.01 1 1082 117 120 ASN H H 8.964 0.001 1 1083 117 120 ASN HA H 4.571 0.001 1 1084 117 120 ASN HB2 H 2.864 0.001 2 1085 117 120 ASN HB3 H 2.514 0.001 2 1086 117 120 ASN HD21 H 7.474 0.001 2 1087 117 120 ASN HD22 H 6.956 0.001 2 1088 117 120 ASN C C 173.420 0.01 1 1089 117 120 ASN CA C 50.710 0.01 1 1090 117 120 ASN CB C 41.480 0.01 1 1091 117 120 ASN N N 117.480 0.01 1 1092 117 120 ASN ND2 N 110.440 0.01 1 1093 118 121 PRO HD2 H 4.093 0.001 2 1094 118 121 PRO HD3 H 4.058 0.001 2 1095 119 122 PRO HA H 4.603 0.001 1 1096 119 122 PRO HB2 H 2.287 0.001 2 1097 119 122 PRO HB3 H 2.022 0.001 2 1098 119 122 PRO HG2 H 1.885 0.001 2 1099 119 122 PRO HG3 H 1.860 0.001 2 1100 119 122 PRO C C 174.110 0.01 1 1101 119 122 PRO CA C 62.430 0.01 1 1102 119 122 PRO CB C 33.970 0.01 1 1103 120 123 ALA H H 7.981 0.001 1 1104 120 123 ALA HA H 3.601 0.001 1 1105 120 123 ALA HB H 1.295 0.001 1 1106 120 123 ALA C C 178.780 0.01 1 1107 120 123 ALA CA C 53.260 0.01 1 1108 120 123 ALA CB C 18.790 0.01 1 1109 120 123 ALA N N 117.660 0.01 1 1110 121 124 ASN H H 9.372 0.001 1 1111 121 124 ASN HA H 4.224 0.001 1 1112 121 124 ASN HB2 H 3.207 0.001 2 1113 121 124 ASN HB3 H 2.964 0.001 2 1114 121 124 ASN HD21 H 7.597 0.001 2 1115 121 124 ASN HD22 H 7.023 0.001 2 1116 121 124 ASN C C 174.660 0.01 1 1117 121 124 ASN CA C 55.720 0.01 1 1118 121 124 ASN CB C 37.370 0.01 1 1119 121 124 ASN N N 113.300 0.01 1 1120 121 124 ASN ND2 N 113.050 0.01 1 1121 122 125 GLN H H 7.855 0.001 1 1122 122 125 GLN HA H 4.467 0.001 1 1123 122 125 GLN HB2 H 2.155 0.001 2 1124 122 125 GLN HB3 H 2.015 0.001 2 1125 122 125 GLN HE21 H 7.790 0.001 2 1126 122 125 GLN HE22 H 7.057 0.001 2 1127 122 125 GLN HG2 H 2.421 0.001 2 1128 122 125 GLN HG3 H 2.387 0.001 2 1129 122 125 GLN C C 175.420 0.01 1 1130 122 125 GLN CA C 55.530 0.01 1 1131 122 125 GLN CB C 29.920 0.01 1 1132 122 125 GLN N N 119.610 0.01 1 1133 122 125 GLN NE2 N 113.660 0.01 1 1134 123 126 THR H H 8.614 0.001 1 1135 123 126 THR HA H 4.741 0.001 1 1136 123 126 THR HB H 3.916 0.001 1 1137 123 126 THR HG2 H 1.044 0.001 1 1138 123 126 THR C C 174.580 0.01 1 1139 123 126 THR CA C 62.340 0.01 1 1140 123 126 THR CB C 70.140 0.01 1 1141 123 126 THR N N 117.230 0.01 1 1142 124 127 SER H H 8.914 0.001 1 1143 124 127 SER HA H 4.732 0.001 1 1144 124 127 SER HB2 H 3.623 0.001 2 1145 124 127 SER HB3 H 3.585 0.001 2 1146 124 127 SER C C 173.650 0.01 1 1147 124 127 SER CA C 57.000 0.01 1 1148 124 127 SER CB C 66.590 0.01 1 1149 124 127 SER N N 118.150 0.01 1 1150 125 128 ALA H H 8.604 0.001 1 1151 125 128 ALA HA H 4.751 0.001 1 1152 125 128 ALA HB H 1.397 0.001 1 1153 125 128 ALA C C 181.650 0.01 1 1154 125 128 ALA CA C 52.840 0.01 1 1155 125 128 ALA CB C 18.790 0.01 1 1156 125 128 ALA N N 128.440 0.01 1 1157 126 129 ILE H H 8.582 0.001 1 1158 126 129 ILE HA H 4.148 0.001 1 1159 126 129 ILE HB H 1.369 0.001 1 1160 126 129 ILE HD1 H 0.254 0.001 1 1161 126 129 ILE HG12 H 1.224 0.001 2 1162 126 129 ILE HG13 H 1.187 0.001 2 1163 126 129 ILE HG2 H 0.692 0.001 1 1164 126 129 ILE C C 176.960 0.01 1 1165 126 129 ILE CA C 64.140 0.01 1 1166 126 129 ILE CB C 37.160 0.01 1 1167 126 129 ILE N N 116.500 0.01 1 1168 127 130 THR H H 7.173 0.001 1 1169 127 130 THR HA H 4.154 0.001 1 1170 127 130 THR HB H 4.423 0.001 1 1171 127 130 THR HG2 H 1.180 0.001 1 1172 127 130 THR C C 174.980 0.01 1 1173 127 130 THR CA C 61.300 0.01 1 1174 127 130 THR CB C 68.930 0.01 1 1175 127 130 THR N N 108.240 0.01 1 1176 128 131 ASN H H 7.429 0.001 1 1177 128 131 ASN HA H 4.751 0.001 1 1178 128 131 ASN HB2 H 2.858 0.001 2 1179 128 131 ASN HB3 H 2.836 0.001 2 1180 128 131 ASN HD21 H 7.633 0.001 2 1181 128 131 ASN HD22 H 7.137 0.001 2 1182 128 131 ASN C C 174.520 0.01 1 1183 128 131 ASN CA C 52.410 0.01 1 1184 128 131 ASN CB C 39.210 0.01 1 1185 128 131 ASN N N 121.240 0.01 1 1186 128 131 ASN ND2 N 112.800 0.01 1 1187 129 132 VAL H H 8.319 0.001 1 1188 129 132 VAL HA H 3.797 0.001 1 1189 129 132 VAL HB H 1.817 0.001 1 1190 129 132 VAL HG1 H 0.833 0.001 1 1191 129 132 VAL HG2 H 0.664 0.001 1 1192 129 132 VAL C C 175.610 0.01 1 1193 129 132 VAL CA C 62.480 0.01 1 1194 129 132 VAL CB C 32.330 0.01 1 1195 129 132 VAL N N 121.620 0.01 1 1196 130 133 VAL H H 8.622 0.001 1 1197 130 133 VAL HA H 4.254 0.001 1 1198 130 133 VAL HB H 2.157 0.001 1 1199 130 133 VAL HG1 H 0.685 0.001 1 1200 130 133 VAL HG2 H 0.632 0.001 1 1201 130 133 VAL C C 175.300 0.01 1 1202 130 133 VAL CA C 62.430 0.01 1 1203 130 133 VAL CB C 33.400 0.01 1 1204 130 133 VAL N N 129.490 0.01 1 1205 131 134 ILE H H 8.683 0.001 1 1206 131 134 ILE HA H 4.571 0.001 1 1207 131 134 ILE HB H 1.974 0.001 1 1208 131 134 ILE HD1 H 0.730 0.001 1 1209 131 134 ILE HG12 H 1.696 0.001 2 1210 131 134 ILE HG13 H 1.333 0.001 2 1211 131 134 ILE HG2 H 1.031 0.001 1 1212 131 134 ILE C C 175.630 0.01 1 1213 131 134 ILE CA C 60.450 0.01 1 1214 131 134 ILE CB C 38.580 0.01 1 1215 131 134 ILE N N 127.840 0.01 1 1216 132 135 ILE H H 9.204 0.001 1 1217 132 135 ILE HA H 4.078 0.001 1 1218 132 135 ILE HB H 1.986 0.001 1 1219 132 135 ILE HD1 H 0.758 0.001 1 1220 132 135 ILE HG12 H 1.749 0.001 2 1221 132 135 ILE HG13 H 1.276 0.001 2 1222 132 135 ILE HG2 H 0.946 0.001 1 1223 132 135 ILE C C 174.030 0.01 1 1224 132 135 ILE CA C 61.820 0.01 1 1225 132 135 ILE CB C 39.070 0.01 1 1226 132 135 ILE N N 129.560 0.01 1 1227 133 136 ILE H H 8.581 0.001 1 1228 133 136 ILE HA H 4.329 0.001 1 1229 133 136 ILE HB H 1.578 0.001 1 1230 133 136 ILE HD1 H 0.571 0.001 1 1231 133 136 ILE HG12 H 1.370 0.001 2 1232 133 136 ILE HG13 H 1.276 0.001 2 1233 133 136 ILE HG2 H 0.901 0.001 1 1234 133 136 ILE C C 175.170 0.01 1 1235 133 136 ILE CA C 61.870 0.01 1 1236 133 136 ILE CB C 38.650 0.01 1 1237 133 136 ILE N N 128.720 0.01 1 1238 134 137 VAL H H 9.266 0.001 1 1239 134 137 VAL HA H 4.696 0.001 1 1240 134 137 VAL HB H 1.994 0.001 1 1241 134 137 VAL HG1 H 0.991 0.001 1 1242 134 137 VAL HG2 H 0.881 0.001 1 1243 134 137 VAL C C 176.710 0.01 1 1244 134 137 VAL CA C 60.730 0.01 1 1245 134 137 VAL CB C 34.250 0.01 1 1246 134 137 VAL N N 129.590 0.01 1 1247 135 138 GLY H H 9.396 0.001 1 1248 135 138 GLY HA2 H 4.596 0.001 2 1249 135 138 GLY HA3 H 3.926 0.001 2 1250 135 138 GLY C C 176.440 0.01 1 1251 135 138 GLY CA C 46.780 0.01 1 1252 135 138 GLY N N 113.950 0.01 1 1253 136 139 SER H H 9.230 0.001 1 1254 136 139 SER HA H 4.707 0.001 1 1255 136 139 SER HB2 H 3.995 0.001 2 1256 136 139 SER HB3 H 3.678 0.001 2 1257 136 139 SER C C 174.070 0.01 1 1258 136 139 SER CA C 57.280 0.01 1 1259 136 139 SER CB C 65.810 0.01 1 1260 136 139 SER N N 121.200 0.01 1 1261 137 140 GLY H H 8.301 0.001 1 1262 137 140 GLY HA2 H 3.672 0.001 2 1263 137 140 GLY HA3 H 3.510 0.001 2 1264 137 140 GLY C C 179.540 0.01 1 1265 137 140 GLY CA C 46.930 0.01 1 1266 137 140 GLY N N 117.230 0.01 1 stop_ save_