data_27596 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N resonance assignment of the C-terminal domain of the bifunctional enzyme TraI of plasmid R1 ; _BMRB_accession_number 27596 _BMRB_flat_file_name bmr27596.str _Entry_type original _Submission_date 2018-09-04 _Accession_date 2018-09-04 _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 Bhattiprolu Krishna . . 2 'Gubens k' Nina . . 3 Wagner Gabriel E. . 4 Zechner Ellen . . 5 Raffl Sandra . . 6 Becker Walter . . 7 Schrank Evelyne . . 8 Zangger Klaus . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 541 "13C chemical shifts" 487 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-11 update BMRB 'update entry citation' 2019-01-10 original author 'original release' stop_ _Original_release_date 2018-09-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, 15N resonance assignment of the C-terminal domain of the bifunctional enzyme TraI of plasmid R1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30617945 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Krishna Bhattiprolu . . 2 Gubensak Nina . . 3 Wagner Gabriel E. . 4 Zechner Ellen . . 5 Raffl Sandra . . 6 Becker Walter . . 7 Schrank Evelyne . . 8 Zangger Klaus . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 121 _Page_last 125 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'R1TraIC126 disordered region of R1 Relaxosome complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'R1 Relaxosome' $R1TraIC126 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_R1TraIC126 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common R1TraIC126 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; MNSVQPGAGNGEPVTAEVLA QRQAEEAIRRETERRADEIV RKMAENKPDLPDGKTELAVR DIAGQERDRSAISERETALP ESVLRESQREREAVREVARE NLLQERLQQMERDMVRDLQK EKTLGGD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 SER 4 VAL 5 GLN 6 PRO 7 GLY 8 ALA 9 GLY 10 ASN 11 GLY 12 GLU 13 PRO 14 VAL 15 THR 16 ALA 17 GLU 18 VAL 19 LEU 20 ALA 21 GLN 22 ARG 23 GLN 24 ALA 25 GLU 26 GLU 27 ALA 28 ILE 29 ARG 30 ARG 31 GLU 32 THR 33 GLU 34 ARG 35 ARG 36 ALA 37 ASP 38 GLU 39 ILE 40 VAL 41 ARG 42 LYS 43 MET 44 ALA 45 GLU 46 ASN 47 LYS 48 PRO 49 ASP 50 LEU 51 PRO 52 ASP 53 GLY 54 LYS 55 THR 56 GLU 57 LEU 58 ALA 59 VAL 60 ARG 61 ASP 62 ILE 63 ALA 64 GLY 65 GLN 66 GLU 67 ARG 68 ASP 69 ARG 70 SER 71 ALA 72 ILE 73 SER 74 GLU 75 ARG 76 GLU 77 THR 78 ALA 79 LEU 80 PRO 81 GLU 82 SER 83 VAL 84 LEU 85 ARG 86 GLU 87 SER 88 GLN 89 ARG 90 GLU 91 ARG 92 GLU 93 ALA 94 VAL 95 ARG 96 GLU 97 VAL 98 ALA 99 ARG 100 GLU 101 ASN 102 LEU 103 LEU 104 GLN 105 GLU 106 ARG 107 LEU 108 GLN 109 GLN 110 MET 111 GLU 112 ARG 113 ASP 114 MET 115 VAL 116 ARG 117 ASP 118 LEU 119 GLN 120 LYS 121 GLU 122 LYS 123 THR 124 LEU 125 GLY 126 GLY 127 ASP 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 $R1TraIC126 'E. coli' 562 Bacteria . Escherichia coli 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 $R1TraIC126 'recombinant technology' . Escherichia coli . 'pET Z2' 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 $R1TraIC126 300 uM '[U-100% 15N]' Na2HPO4 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 298 . 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 water H 1 protons ppm . na indirect . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D C(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'R1 Relaxosome' _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 3 3 SER HA H 4.477 0.007 1 2 3 3 SER HB2 H 3.861 0.000 1 3 3 3 SER CA C 58.459 0.010 1 4 3 3 SER CB C 63.957 0.025 1 5 4 4 VAL H H 8.186 0.002 1 6 4 4 VAL HA H 4.138 0.001 1 7 4 4 VAL HB H 2.060 0.002 1 8 4 4 VAL HG1 H 0.910 0.000 1 9 4 4 VAL HG2 H 0.910 0.000 1 10 4 4 VAL C C 175.936 0.003 1 11 4 4 VAL CA C 62.301 0.039 1 12 4 4 VAL CB C 32.787 0.010 1 13 4 4 VAL CG1 C 20.497 0.000 2 14 4 4 VAL CG2 C 21.203 0.000 2 15 4 4 VAL N N 121.871 0.012 1 16 5 5 GLN H H 8.422 0.006 1 17 5 5 GLN HA H 4.637 0.001 1 18 5 5 GLN HB2 H 2.082 0.000 2 19 5 5 GLN HB3 H 1.926 0.001 2 20 5 5 GLN HG2 H 2.389 0.005 1 21 5 5 GLN C C 173.963 0.000 1 22 5 5 GLN CA C 53.531 0.022 1 23 5 5 GLN CB C 28.981 0.033 1 24 5 5 GLN CG C 33.451 0.000 1 25 5 5 GLN N N 125.405 0.063 1 26 6 6 PRO HA H 4.415 0.002 1 27 6 6 PRO HB2 H 2.301 0.004 2 28 6 6 PRO HB3 H 1.937 0.010 2 29 6 6 PRO HG2 H 1.947 0.000 1 30 6 6 PRO HG3 H 1.948 0.000 1 31 6 6 PRO HD2 H 3.813 0.000 2 32 6 6 PRO HD3 H 3.689 0.001 2 33 6 6 PRO CA C 63.570 0.050 1 34 6 6 PRO CB C 32.102 0.017 1 35 6 6 PRO CG C 27.427 0.002 1 36 6 6 PRO CD C 50.720 0.026 1 37 6 6 PRO N N 121.591 0.000 1 38 7 7 GLY H H 8.484 0.003 1 39 7 7 GLY HA2 H 3.958 0.001 1 40 7 7 GLY C C 174.015 0.001 1 41 7 7 GLY CA C 45.320 0.028 1 42 7 7 GLY N N 109.828 0.020 1 43 8 8 ALA H H 8.143 0.002 1 44 8 8 ALA HA H 4.352 0.004 1 45 8 8 ALA HB H 1.405 0.002 1 46 8 8 ALA C C 178.372 0.002 1 47 8 8 ALA CA C 52.679 0.040 1 48 8 8 ALA CB C 19.489 0.019 1 49 8 8 ALA N N 123.672 0.009 1 50 9 9 GLY H H 8.432 0.002 1 51 9 9 GLY HA2 H 3.965 0.001 1 52 9 9 GLY C C 174.172 0.000 1 53 9 9 GLY CA C 45.473 0.027 1 54 9 9 GLY N N 108.219 0.022 1 55 10 10 ASN H H 8.349 0.002 1 56 10 10 ASN HA H 4.755 0.000 1 57 10 10 ASN HB2 H 2.829 0.000 1 58 10 10 ASN HB3 H 2.830 0.000 1 59 10 10 ASN C C 175.792 0.004 1 60 10 10 ASN CA C 53.302 0.016 1 61 10 10 ASN CB C 39.163 0.023 1 62 10 10 ASN N N 118.702 0.015 1 63 11 11 GLY H H 8.417 0.002 1 64 11 11 GLY HA2 H 3.950 0.000 1 65 11 11 GLY C C 173.883 0.000 1 66 11 11 GLY CA C 45.277 0.029 1 67 11 11 GLY N N 109.355 0.022 1 68 12 12 GLU H H 8.165 0.002 1 69 12 12 GLU HA H 4.581 0.000 1 70 12 12 GLU HB2 H 1.900 0.000 2 71 12 12 GLU HB3 H 2.032 0.000 2 72 12 12 GLU HG2 H 2.275 0.000 1 73 12 12 GLU C C 174.698 0.000 1 74 12 12 GLU CA C 54.589 0.001 1 75 12 12 GLU CB C 29.650 0.016 1 76 12 12 GLU CG C 35.901 0.000 1 77 12 12 GLU N N 121.885 0.021 1 78 13 13 PRO HA H 4.462 0.002 1 79 13 13 PRO HB2 H 2.258 0.000 2 80 13 13 PRO HB3 H 1.900 0.000 2 81 13 13 PRO HG2 H 2.062 0.000 1 82 13 13 PRO HD2 H 3.830 0.000 1 83 13 13 PRO C C 176.846 0.000 1 84 13 13 PRO CA C 63.220 0.017 1 85 13 13 PRO CB C 31.968 0.043 1 86 13 13 PRO CG C 27.449 0.000 1 87 13 13 PRO CD C 50.668 0.000 1 88 14 14 VAL H H 8.267 0.002 1 89 14 14 VAL HA H 4.200 0.001 1 90 14 14 VAL HB H 2.077 0.000 1 91 14 14 VAL HG1 H 0.980 0.000 1 92 14 14 VAL HG2 H 0.980 0.000 1 93 14 14 VAL C C 176.279 0.004 1 94 14 14 VAL CA C 62.162 0.031 1 95 14 14 VAL CB C 32.834 0.035 1 96 14 14 VAL CG1 C 20.624 0.000 2 97 14 14 VAL CG2 C 21.480 0.000 2 98 14 14 VAL N N 120.741 0.030 1 99 15 15 THR H H 7.818 0.004 1 100 15 15 THR HA H 4.359 0.004 1 101 15 15 THR HB H 4.514 0.003 1 102 15 15 THR HG2 H 1.286 0.001 1 103 15 15 THR C C 174.854 0.002 1 104 15 15 THR CA C 61.437 0.051 1 105 15 15 THR CB C 70.704 0.017 1 106 15 15 THR CG2 C 22.005 0.034 1 107 15 15 THR N N 116.589 0.023 1 108 16 16 ALA H H 8.658 0.002 1 109 16 16 ALA HA H 4.129 0.000 1 110 16 16 ALA HB H 1.448 0.000 1 111 16 16 ALA C C 179.688 0.005 1 112 16 16 ALA CA C 54.579 0.028 1 113 16 16 ALA CB C 18.630 0.008 1 114 16 16 ALA N N 124.367 0.024 1 115 17 17 GLU H H 8.593 0.002 1 116 17 17 GLU HA H 4.145 0.000 1 117 17 17 GLU HB2 H 2.018 0.000 1 118 17 17 GLU HG2 H 2.311 0.000 1 119 17 17 GLU C C 178.331 0.000 1 120 17 17 GLU CA C 59.029 0.022 1 121 17 17 GLU CB C 29.547 0.026 1 122 17 17 GLU CG C 36.712 0.000 1 123 17 17 GLU N N 118.920 0.018 1 124 18 18 VAL H H 7.680 0.004 1 125 18 18 VAL HA H 3.855 0.000 1 126 18 18 VAL HB H 2.119 0.000 1 127 18 18 VAL HG1 H 1.030 0.000 2 128 18 18 VAL HG2 H 0.944 0.000 2 129 18 18 VAL C C 177.962 0.008 1 130 18 18 VAL CA C 65.163 0.047 1 131 18 18 VAL CB C 31.979 0.031 1 132 18 18 VAL CG1 C 22.365 0.003 2 133 18 18 VAL CG2 C 21.204 0.000 2 134 18 18 VAL N N 122.071 0.083 1 135 19 19 LEU H H 8.172 0.003 1 136 19 19 LEU HA H 4.060 0.000 1 137 19 19 LEU HB2 H 1.705 0.000 2 138 19 19 LEU HB3 H 1.599 0.000 2 139 19 19 LEU HD1 H 0.883 0.000 1 140 19 19 LEU C C 178.863 0.006 1 141 19 19 LEU CA C 57.461 0.001 1 142 19 19 LEU CB C 41.716 0.013 1 143 19 19 LEU CD1 C 24.678 0.000 1 144 19 19 LEU N N 122.379 0.030 1 145 20 20 ALA H H 8.081 0.004 1 146 20 20 ALA HA H 4.204 0.000 1 147 20 20 ALA HB H 1.477 0.000 1 148 20 20 ALA C C 180.100 0.004 1 149 20 20 ALA CA C 54.466 0.015 1 150 20 20 ALA CB C 18.341 0.008 1 151 20 20 ALA N N 121.723 0.026 1 152 21 21 GLN H H 7.965 0.002 1 153 21 21 GLN HA H 4.183 0.000 1 154 21 21 GLN HB2 H 2.193 0.000 1 155 21 21 GLN HG2 H 2.514 0.000 2 156 21 21 GLN HG3 H 2.410 0.000 2 157 21 21 GLN C C 177.985 0.000 1 158 21 21 GLN CA C 58.123 0.023 1 159 21 21 GLN CB C 28.450 0.009 1 160 21 21 GLN CG C 33.846 0.002 1 161 21 21 GLN N N 119.723 0.020 1 162 22 22 ARG H H 8.296 0.001 1 163 22 22 ARG HA H 4.202 0.000 1 164 22 22 ARG HB2 H 1.943 0.000 1 165 22 22 ARG HD2 H 3.213 0.000 2 166 22 22 ARG HD3 H 3.108 0.000 2 167 22 22 ARG C C 178.714 0.013 1 168 22 22 ARG CA C 58.500 0.053 1 169 22 22 ARG CB C 30.419 0.016 1 170 22 22 ARG CG C 27.169 0.000 1 171 22 22 ARG CD C 43.726 0.001 1 172 22 22 ARG N N 120.508 0.028 1 173 23 23 GLN H H 8.279 0.002 1 174 23 23 GLN HA H 4.153 0.000 1 175 23 23 GLN HB2 H 2.129 0.000 1 176 23 23 GLN HG2 H 2.417 0.000 1 177 23 23 GLN C C 178.121 0.015 1 178 23 23 GLN CA C 58.192 0.000 1 179 23 23 GLN CB C 28.688 0.002 1 180 23 23 GLN CG C 34.161 0.000 1 181 23 23 GLN N N 119.626 0.028 1 182 24 24 ALA H H 8.071 0.003 1 183 24 24 ALA HA H 4.242 0.000 1 184 24 24 ALA HB H 1.518 0.000 1 185 24 24 ALA C C 179.771 0.004 1 186 24 24 ALA CA C 54.487 0.021 1 187 24 24 ALA CB C 18.352 0.024 1 188 24 24 ALA N N 123.887 0.023 1 189 25 25 GLU H H 8.184 0.001 1 190 25 25 GLU HA H 4.092 0.000 1 191 25 25 GLU HG2 H 2.452 0.000 1 192 25 25 GLU C C 178.833 0.006 1 193 25 25 GLU CA C 58.684 0.003 1 194 25 25 GLU CB C 29.755 0.000 1 195 25 25 GLU CG C 36.524 0.000 1 196 25 25 GLU N N 118.984 0.017 1 197 26 26 GLU H H 8.196 0.001 1 198 26 26 GLU HA H 4.136 0.000 1 199 26 26 GLU HB2 H 2.089 0.000 1 200 26 26 GLU HG2 H 2.337 0.000 1 201 26 26 GLU C C 177.826 0.001 1 202 26 26 GLU CA C 58.470 0.040 1 203 26 26 GLU CB C 29.676 0.051 1 204 26 26 GLU CG C 36.260 0.000 1 205 26 26 GLU N N 120.713 0.017 1 206 27 27 ALA H H 7.952 0.002 1 207 27 27 ALA HA H 4.162 0.000 1 208 27 27 ALA HB H 1.506 0.000 1 209 27 27 ALA C C 179.987 0.000 1 210 27 27 ALA CA C 54.667 0.051 1 211 27 27 ALA CB C 18.345 0.024 1 212 27 27 ALA N N 122.389 0.022 1 213 28 28 ILE H H 7.741 0.004 1 214 28 28 ILE HA H 3.948 0.000 1 215 28 28 ILE HB H 1.938 0.000 1 216 28 28 ILE HG12 H 1.214 0.000 2 217 28 28 ILE HG13 H 1.641 0.000 2 218 28 28 ILE HG2 H 0.909 0.000 1 219 28 28 ILE HD1 H 0.856 0.000 1 220 28 28 ILE C C 178.204 0.003 1 221 28 28 ILE CA C 63.493 0.003 1 222 28 28 ILE CB C 38.290 0.035 1 223 28 28 ILE CG1 C 28.584 0.002 1 224 28 28 ILE CG2 C 17.357 0.018 1 225 28 28 ILE CD1 C 12.952 0.027 1 226 28 28 ILE N N 119.008 0.044 1 227 29 29 ARG H H 8.072 0.001 1 228 29 29 ARG HA H 4.193 0.000 1 229 29 29 ARG HB2 H 1.943 0.000 1 230 29 29 ARG C C 178.031 0.000 1 231 29 29 ARG CA C 58.617 0.033 1 232 29 29 ARG CB C 30.239 0.000 1 233 29 29 ARG N N 123.393 0.021 1 234 30 30 ARG H H 8.285 0.000 1 235 30 30 ARG HA H 4.196 0.000 1 236 30 30 ARG C C 178.159 0.071 1 237 30 30 ARG CA C 58.115 0.000 1 238 30 30 ARG N N 119.644 0.019 1 239 31 31 GLU H H 8.101 0.003 1 240 31 31 GLU HA H 4.270 0.000 1 241 31 31 GLU HB2 H 2.117 0.000 1 242 31 31 GLU HG2 H 2.350 0.000 1 243 31 31 GLU C C 177.989 0.000 1 244 31 31 GLU CA C 58.189 0.057 1 245 31 31 GLU CB C 29.706 0.002 1 246 31 31 GLU CG C 35.969 0.000 1 247 31 31 GLU N N 120.465 0.005 1 248 32 32 THR H H 8.188 0.003 1 249 32 32 THR HA H 4.091 0.000 1 250 32 32 THR HB H 4.327 0.000 1 251 32 32 THR HG2 H 1.262 0.000 1 252 32 32 THR C C 175.989 0.001 1 253 32 32 THR CA C 64.749 0.023 1 254 32 32 THR CB C 69.381 0.031 1 255 32 32 THR CG2 C 21.647 0.000 1 256 32 32 THR N N 115.086 0.025 1 257 33 33 GLU H H 8.160 0.001 1 258 33 33 GLU HA H 4.179 0.000 1 259 33 33 GLU HB2 H 2.074 0.000 1 260 33 33 GLU C C 177.420 0.003 1 261 33 33 GLU CA C 58.013 0.002 1 262 33 33 GLU CB C 30.015 0.001 1 263 33 33 GLU N N 122.515 0.016 1 264 34 34 ARG H H 8.111 0.002 1 265 34 34 ARG C C 177.656 0.002 1 266 34 34 ARG CA C 57.624 0.004 1 267 34 34 ARG N N 121.198 0.025 1 268 35 35 ARG H H 8.257 0.000 1 269 35 35 ARG HA H 4.225 0.000 1 270 35 35 ARG HG2 H 1.769 0.000 2 271 35 35 ARG HG3 H 1.662 0.000 2 272 35 35 ARG HD2 H 3.229 0.000 1 273 35 35 ARG C C 177.369 0.006 1 274 35 35 ARG CA C 57.425 0.005 1 275 35 35 ARG CG C 27.294 0.000 1 276 35 35 ARG CD C 43.425 0.000 1 277 35 35 ARG N N 120.983 0.007 1 278 36 36 ALA H H 8.149 0.002 1 279 36 36 ALA HA H 4.212 0.000 1 280 36 36 ALA HB H 1.461 0.000 1 281 36 36 ALA C C 178.741 0.006 1 282 36 36 ALA CA C 54.008 0.026 1 283 36 36 ALA CB C 18.707 0.033 1 284 36 36 ALA N N 123.682 0.022 1 285 37 37 ASP H H 8.166 0.002 1 286 37 37 ASP HA H 4.526 0.000 1 287 37 37 ASP HB2 H 2.704 0.000 1 288 37 37 ASP C C 177.184 0.002 1 289 37 37 ASP CA C 55.511 0.037 1 290 37 37 ASP CB C 41.038 0.032 1 291 37 37 ASP N N 118.410 0.022 1 292 38 38 GLU H H 8.059 0.003 1 293 38 38 GLU HA H 4.154 0.000 1 294 38 38 GLU HB2 H 2.079 0.000 1 295 38 38 GLU C C 177.507 0.005 1 296 38 38 GLU CA C 57.989 0.024 1 297 38 38 GLU CB C 30.131 0.035 1 298 38 38 GLU N N 120.211 0.020 1 299 39 39 ILE H H 7.904 0.002 1 300 39 39 ILE HA H 3.961 0.000 1 301 39 39 ILE HB H 1.949 0.000 1 302 39 39 ILE HG12 H 1.583 0.000 2 303 39 39 ILE HG13 H 1.221 0.000 2 304 39 39 ILE HG2 H 0.913 0.000 1 305 39 39 ILE HD1 H 0.862 0.000 1 306 39 39 ILE C C 177.260 0.000 1 307 39 39 ILE CA C 62.916 0.035 1 308 39 39 ILE CB C 38.203 0.037 1 309 39 39 ILE CG1 C 28.164 0.004 1 310 39 39 ILE CG2 C 17.429 0.005 1 311 39 39 ILE CD1 C 12.792 0.046 1 312 39 39 ILE N N 120.692 0.019 1 313 40 40 VAL H H 7.874 0.002 1 314 40 40 VAL HA H 3.913 0.000 1 315 40 40 VAL HB H 2.122 0.000 1 316 40 40 VAL HG1 H 0.939 0.000 2 317 40 40 VAL HG2 H 1.017 0.000 2 318 40 40 VAL C C 177.331 0.000 1 319 40 40 VAL CA C 64.288 0.029 1 320 40 40 VAL CB C 32.115 0.000 1 321 40 40 VAL CG1 C 21.240 0.000 2 322 40 40 VAL CG2 C 21.594 0.000 2 323 40 40 VAL N N 122.370 0.037 1 324 41 41 ARG H H 8.174 0.003 1 325 41 41 ARG HA H 4.225 0.000 1 326 41 41 ARG HB2 H 1.835 0.000 1 327 41 41 ARG HG2 H 1.699 0.000 2 328 41 41 ARG HG3 H 1.597 0.000 2 329 41 41 ARG HD2 H 3.197 0.000 1 330 41 41 ARG C C 177.264 0.059 1 331 41 41 ARG CA C 57.518 0.000 1 332 41 41 ARG CB C 30.633 0.006 1 333 41 41 ARG CG C 27.478 0.008 1 334 41 41 ARG N N 122.973 0.038 1 335 42 42 LYS H H 8.163 0.003 1 336 42 42 LYS HA H 4.224 0.000 1 337 42 42 LYS HB2 H 1.844 0.000 1 338 42 42 LYS HG2 H 1.500 0.000 1 339 42 42 LYS HD2 H 1.682 0.000 1 340 42 42 LYS C C 177.506 0.002 1 341 42 42 LYS CA C 57.304 0.000 1 342 42 42 LYS CB C 32.799 0.016 1 343 42 42 LYS CG C 24.754 0.000 1 344 42 42 LYS CD C 29.076 0.000 1 345 42 42 LYS N N 121.284 0.008 1 346 43 43 MET H H 8.208 0.002 1 347 43 43 MET HA H 4.385 0.000 1 348 43 43 MET HB2 H 2.113 0.000 1 349 43 43 MET HG2 H 2.704 0.000 2 350 43 43 MET HG3 H 2.592 0.000 2 351 43 43 MET C C 176.543 0.004 1 352 43 43 MET CA C 56.307 0.014 1 353 43 43 MET CB C 32.809 0.004 1 354 43 43 MET CG C 32.101 0.010 1 355 43 43 MET N N 120.487 0.054 1 356 44 44 ALA H H 8.053 0.002 1 357 44 44 ALA HA H 4.304 0.000 1 358 44 44 ALA HB H 1.427 0.000 1 359 44 44 ALA C C 177.857 0.002 1 360 44 44 ALA CA C 52.977 0.017 1 361 44 44 ALA CB C 19.176 0.010 1 362 44 44 ALA N N 123.766 0.038 1 363 45 45 GLU H H 8.129 0.003 1 364 45 45 GLU HA H 4.201 0.000 1 365 45 45 GLU HB2 H 1.942 0.000 1 366 45 45 GLU HG2 H 2.330 0.000 2 367 45 45 GLU HG3 H 2.238 0.000 2 368 45 45 GLU C C 176.253 0.002 1 369 45 45 GLU CA C 56.777 0.021 1 370 45 45 GLU CB C 30.502 0.000 1 371 45 45 GLU CG C 36.404 0.003 1 372 45 45 GLU N N 119.230 0.016 1 373 46 46 ASN H H 8.284 0.003 1 374 46 46 ASN HA H 4.689 0.000 1 375 46 46 ASN HB2 H 2.815 0.000 2 376 46 46 ASN HB3 H 2.727 0.000 2 377 46 46 ASN C C 174.608 0.003 1 378 46 46 ASN CA C 53.257 0.015 1 379 46 46 ASN CB C 39.078 0.002 1 380 46 46 ASN N N 119.546 0.042 1 381 47 47 LYS H H 8.218 0.002 1 382 47 47 LYS HA H 4.624 0.000 1 383 47 47 LYS HB2 H 1.732 0.000 2 384 47 47 LYS HB3 H 1.837 0.000 2 385 47 47 LYS HG2 H 1.430 0.000 1 386 47 47 LYS HD2 H 1.698 0.000 1 387 47 47 LYS HE2 H 2.995 0.000 1 388 47 47 LYS C C 174.376 0.000 1 389 47 47 LYS CA C 54.384 0.001 1 390 47 47 LYS CB C 32.672 0.002 1 391 47 47 LYS CG C 24.713 0.000 1 392 47 47 LYS CD C 29.125 0.000 1 393 47 47 LYS CE C 42.144 0.000 1 394 47 47 LYS N N 123.071 0.031 1 395 48 48 PRO HA H 4.431 0.000 1 396 48 48 PRO HB2 H 2.278 0.000 2 397 48 48 PRO HB3 H 1.910 0.000 2 398 48 48 PRO HG2 H 2.005 0.000 1 399 48 48 PRO HD2 H 3.772 0.000 2 400 48 48 PRO HD3 H 3.656 0.000 2 401 48 48 PRO C C 176.450 0.000 1 402 48 48 PRO CA C 63.201 0.017 1 403 48 48 PRO CB C 32.121 0.036 1 404 48 48 PRO CG C 27.239 0.000 1 405 48 48 PRO CD C 50.602 0.003 1 406 49 49 ASP H H 8.382 0.002 1 407 49 49 ASP HA H 4.558 0.000 1 408 49 49 ASP HB2 H 2.665 0.000 2 409 49 49 ASP HB3 H 2.542 0.000 2 410 49 49 ASP C C 175.716 0.036 1 411 49 49 ASP CA C 54.335 0.052 1 412 49 49 ASP CB C 41.123 0.082 1 413 49 49 ASP N N 120.551 0.014 1 414 50 50 LEU H H 8.073 0.002 1 415 50 50 LEU HA H 4.654 0.000 1 416 50 50 LEU HB2 H 1.595 0.000 1 417 50 50 LEU HG H 1.627 0.000 1 418 50 50 LEU HD1 H 0.920 0.000 2 419 50 50 LEU HD2 H 0.860 0.000 2 420 50 50 LEU C C 175.336 0.000 1 421 50 50 LEU CA C 52.830 0.013 1 422 50 50 LEU CB C 42.264 0.000 1 423 50 50 LEU CG C 26.878 0.000 1 424 50 50 LEU CD1 C 25.232 0.000 2 425 50 50 LEU CD2 C 23.483 0.000 2 426 50 50 LEU N N 123.399 0.016 1 427 51 51 PRO HA H 4.421 0.000 1 428 51 51 PRO HB2 H 2.287 0.000 2 429 51 51 PRO HB3 H 1.928 0.000 2 430 51 51 PRO HG2 H 2.021 0.000 1 431 51 51 PRO HD2 H 3.647 0.000 2 432 51 51 PRO HD3 H 3.814 0.000 2 433 51 51 PRO C C 176.844 0.000 1 434 51 51 PRO CA C 63.392 0.021 1 435 51 51 PRO CB C 32.047 0.026 1 436 51 51 PRO CG C 27.319 0.000 1 437 51 51 PRO CD C 50.646 0.000 1 438 52 52 ASP H H 8.349 0.001 1 439 52 52 ASP HA H 4.545 0.000 1 440 52 52 ASP HB2 H 2.690 0.000 1 441 52 52 ASP C C 176.986 0.003 1 442 52 52 ASP CA C 54.467 0.015 1 443 52 52 ASP CB C 41.266 0.000 1 444 52 52 ASP N N 120.054 0.024 1 445 53 53 GLY H H 8.321 0.002 1 446 53 53 GLY HA2 H 3.949 0.000 1 447 53 53 GLY C C 174.440 0.002 1 448 53 53 GLY CA C 45.734 0.002 1 449 53 53 GLY N N 109.352 0.015 1 450 54 54 LYS H H 8.158 0.001 1 451 54 54 LYS HA H 4.385 0.000 1 452 54 54 LYS HB2 H 1.794 0.000 2 453 54 54 LYS HB3 H 1.857 0.000 2 454 54 54 LYS HG2 H 1.428 0.000 1 455 54 54 LYS HE2 H 2.998 0.000 1 456 54 54 LYS C C 176.913 0.000 1 457 54 54 LYS CA C 56.535 0.022 1 458 54 54 LYS CB C 33.051 0.012 1 459 54 54 LYS CG C 24.895 0.000 1 460 54 54 LYS CE C 42.216 0.000 1 461 54 54 LYS N N 120.644 0.029 1 462 55 55 THR H H 8.180 0.005 1 463 55 55 THR HA H 4.312 0.000 1 464 55 55 THR HB H 4.203 0.000 1 465 55 55 THR HG2 H 1.203 0.000 1 466 55 55 THR C C 174.598 0.007 1 467 55 55 THR CA C 62.387 0.029 1 468 55 55 THR CB C 69.898 0.008 1 469 55 55 THR CG2 C 21.669 0.000 1 470 55 55 THR N N 115.463 0.022 1 471 56 56 GLU H H 8.454 0.002 1 472 56 56 GLU HA H 4.303 0.000 1 473 56 56 GLU HB2 H 2.053 0.000 2 474 56 56 GLU HB3 H 1.948 0.000 2 475 56 56 GLU HG2 H 2.244 0.000 1 476 56 56 GLU C C 176.314 0.001 1 477 56 56 GLU CA C 56.700 0.021 1 478 56 56 GLU CB C 30.306 0.004 1 479 56 56 GLU CG C 36.235 0.000 1 480 56 56 GLU N N 123.470 0.015 1 481 57 57 LEU H H 8.180 0.001 1 482 57 57 LEU HA H 4.297 0.000 1 483 57 57 LEU HB2 H 1.615 0.000 1 484 57 57 LEU HD1 H 0.869 0.000 2 485 57 57 LEU HD2 H 0.921 0.000 2 486 57 57 LEU C C 177.051 0.002 1 487 57 57 LEU CA C 55.306 0.012 1 488 57 57 LEU CB C 42.434 0.035 1 489 57 57 LEU CD1 C 23.585 0.000 2 490 57 57 LEU CD2 C 24.865 0.000 2 491 57 57 LEU N N 123.229 0.007 1 492 58 58 ALA H H 8.191 0.023 1 493 58 58 ALA HA H 4.331 0.000 1 494 58 58 ALA HB H 1.377 0.000 1 495 58 58 ALA C C 177.706 0.000 1 496 58 58 ALA CA C 52.547 0.044 1 497 58 58 ALA CB C 19.185 0.003 1 498 58 58 ALA N N 124.663 0.165 1 499 59 59 VAL H H 8.002 0.002 1 500 59 59 VAL HA H 4.057 0.000 1 501 59 59 VAL HB H 2.066 0.000 1 502 59 59 VAL HG1 H 0.938 0.000 1 503 59 59 VAL HG2 H 0.938 0.000 1 504 59 59 VAL C C 176.216 0.000 1 505 59 59 VAL CA C 62.607 0.028 1 506 59 59 VAL CB C 32.657 0.000 1 507 59 59 VAL CG1 C 20.716 0.000 2 508 59 59 VAL CG2 C 21.212 0.000 2 509 59 59 VAL N N 119.299 0.018 1 510 60 60 ARG H H 8.271 0.002 1 511 60 60 ARG HA H 4.345 0.000 1 512 60 60 ARG HB2 H 1.820 0.000 2 513 60 60 ARG HB3 H 1.759 0.000 2 514 60 60 ARG HG2 H 1.612 0.000 1 515 60 60 ARG HD2 H 3.183 0.000 1 516 60 60 ARG C C 175.869 0.001 1 517 60 60 ARG CA C 56.144 0.016 1 518 60 60 ARG CB C 31.080 0.045 1 519 60 60 ARG CG C 27.179 0.000 1 520 60 60 ARG CD C 43.370 0.000 1 521 60 60 ARG N N 124.228 0.022 1 522 61 61 ASP H H 8.299 0.002 1 523 61 61 ASP HA H 4.611 0.000 1 524 61 61 ASP HB2 H 2.709 0.000 2 525 61 61 ASP HB3 H 2.592 0.000 2 526 61 61 ASP C C 176.311 0.004 1 527 61 61 ASP CA C 54.381 0.025 1 528 61 61 ASP CB C 41.299 0.006 1 529 61 61 ASP N N 121.824 0.026 1 530 62 62 ILE H H 8.045 0.002 1 531 62 62 ILE HA H 4.111 0.000 1 532 62 62 ILE HB H 1.878 0.000 1 533 62 62 ILE HG12 H 1.178 0.000 2 534 62 62 ILE HG13 H 1.448 0.000 2 535 62 62 ILE HG2 H 0.916 0.000 1 536 62 62 ILE HD1 H 0.862 0.000 1 537 62 62 ILE C C 176.296 0.000 1 538 62 62 ILE CA C 61.628 0.024 1 539 62 62 ILE CB C 38.783 0.015 1 540 62 62 ILE CG1 C 27.323 0.036 1 541 62 62 ILE CG2 C 17.583 0.000 1 542 62 62 ILE CD1 C 13.087 0.000 1 543 62 62 ILE N N 121.289 0.010 1 544 63 63 ALA H H 8.311 0.003 1 545 63 63 ALA HA H 4.316 0.000 1 546 63 63 ALA HB H 1.414 0.000 1 547 63 63 ALA C C 178.605 0.000 1 548 63 63 ALA CA C 53.084 0.042 1 549 63 63 ALA CB C 19.032 0.006 1 550 63 63 ALA N N 127.024 0.028 1 551 64 64 GLY H H 8.353 0.003 1 552 64 64 GLY HA2 H 3.946 0.000 1 553 64 64 GLY C C 174.571 0.002 1 554 64 64 GLY CA C 45.657 0.043 1 555 64 64 GLY N N 108.361 0.022 1 556 65 65 GLN H H 8.165 0.004 1 557 65 65 GLN HA H 4.335 0.000 1 558 65 65 GLN HB2 H 1.996 0.000 2 559 65 65 GLN HB3 H 2.140 0.000 2 560 65 65 GLN HG2 H 2.355 0.000 1 561 65 65 GLN C C 176.378 0.005 1 562 65 65 GLN CA C 56.147 0.024 1 563 65 65 GLN CB C 29.473 0.042 1 564 65 65 GLN CG C 33.931 0.000 1 565 65 65 GLN N N 119.696 0.007 1 566 66 66 GLU H H 8.543 0.004 1 567 66 66 GLU HA H 4.240 0.000 1 568 66 66 GLU HB2 H 2.049 0.000 2 569 66 66 GLU HB3 H 1.965 0.000 2 570 66 66 GLU HG2 H 2.283 0.000 1 571 66 66 GLU C C 176.889 0.003 1 572 66 66 GLU CA C 57.229 0.038 1 573 66 66 GLU CB C 29.927 0.047 1 574 66 66 GLU CG C 36.326 0.000 1 575 66 66 GLU N N 121.894 0.017 1 576 67 67 ARG H H 8.257 0.003 1 577 67 67 ARG HA H 4.274 0.000 1 578 67 67 ARG HB2 H 1.844 0.000 1 579 67 67 ARG HG2 H 1.637 0.000 1 580 67 67 ARG HD2 H 3.198 0.000 1 581 67 67 ARG C C 176.245 0.005 1 582 67 67 ARG CA C 56.569 0.012 1 583 67 67 ARG CB C 30.865 0.021 1 584 67 67 ARG CG C 27.057 0.000 1 585 67 67 ARG CD C 43.428 0.000 1 586 67 67 ARG N N 121.649 0.031 1 587 68 68 ASP H H 8.316 0.002 1 588 68 68 ASP HA H 4.570 0.000 1 589 68 68 ASP HB2 H 2.752 0.000 2 590 68 68 ASP HB3 H 2.660 0.000 2 591 68 68 ASP C C 176.639 0.003 1 592 68 68 ASP CA C 54.694 0.032 1 593 68 68 ASP CB C 41.139 0.042 1 594 68 68 ASP N N 120.924 0.020 1 595 69 69 ARG H H 8.289 0.004 1 596 69 69 ARG HA H 4.322 0.000 1 597 69 69 ARG HB2 H 1.931 0.000 2 598 69 69 ARG HB3 H 1.784 0.000 2 599 69 69 ARG HG2 H 1.655 0.000 1 600 69 69 ARG HD2 H 3.204 0.000 1 601 69 69 ARG C C 176.737 0.068 1 602 69 69 ARG CA C 56.636 0.019 1 603 69 69 ARG CB C 30.478 0.021 1 604 69 69 ARG CG C 27.150 0.000 1 605 69 69 ARG CD C 43.379 0.000 1 606 69 69 ARG N N 122.103 0.052 1 607 70 70 SER H H 8.350 0.002 1 608 70 70 SER HA H 4.370 0.000 1 609 70 70 SER HB2 H 3.897 0.000 1 610 70 70 SER C C 174.495 0.002 1 611 70 70 SER CA C 59.207 0.072 1 612 70 70 SER CB C 63.829 0.035 1 613 70 70 SER N N 116.582 0.016 1 614 71 71 ALA H H 8.157 0.001 1 615 71 71 ALA HA H 4.344 0.000 1 616 71 71 ALA HB H 1.404 0.000 1 617 71 71 ALA C C 177.879 0.003 1 618 71 71 ALA CA C 52.787 0.004 1 619 71 71 ALA CB C 19.194 0.011 1 620 71 71 ALA N N 125.545 0.019 1 621 72 72 ILE H H 7.952 0.002 1 622 72 72 ILE HA H 4.137 0.000 1 623 72 72 ILE HB H 1.876 0.000 1 624 72 72 ILE HG12 H 1.478 0.000 2 625 72 72 ILE HG13 H 1.189 0.000 2 626 72 72 ILE HG2 H 0.910 0.000 1 627 72 72 ILE HD1 H 0.910 0.000 1 628 72 72 ILE C C 176.503 0.000 1 629 72 72 ILE CA C 61.618 0.054 1 630 72 72 ILE CB C 38.770 0.049 1 631 72 72 ILE CG1 C 27.425 0.005 1 632 72 72 ILE CG2 C 17.557 0.000 1 633 72 72 ILE CD1 C 13.009 0.000 1 634 72 72 ILE N N 119.309 0.019 1 635 73 73 SER H H 8.249 0.003 1 636 73 73 SER HA H 4.447 0.000 1 637 73 73 SER HB2 H 3.876 0.000 1 638 73 73 SER C C 174.801 0.001 1 639 73 73 SER CA C 58.652 0.021 1 640 73 73 SER CB C 63.956 0.002 1 641 73 73 SER N N 119.163 0.029 1 642 74 74 GLU H H 8.398 0.002 1 643 74 74 GLU HA H 4.290 0.000 1 644 74 74 GLU HB2 H 2.075 0.000 2 645 74 74 GLU HB3 H 1.979 0.000 2 646 74 74 GLU HG2 H 2.282 0.000 1 647 74 74 GLU C C 176.592 0.000 1 648 74 74 GLU CA C 57.039 0.001 1 649 74 74 GLU CB C 30.173 0.001 1 650 74 74 GLU CG C 36.378 0.000 1 651 74 74 GLU N N 122.995 0.016 1 652 75 75 ARG H H 8.179 0.002 1 653 75 75 ARG HA H 4.299 0.000 1 654 75 75 ARG HB2 H 1.790 0.000 2 655 75 75 ARG HB3 H 1.870 0.000 2 656 75 75 ARG HG2 H 1.644 0.000 1 657 75 75 ARG HD2 H 3.205 0.000 1 658 75 75 ARG C C 176.495 0.000 1 659 75 75 ARG CA C 56.497 0.010 1 660 75 75 ARG CB C 30.881 0.008 1 661 75 75 ARG CG C 27.125 0.000 1 662 75 75 ARG CD C 43.409 0.000 1 663 75 75 ARG N N 120.863 0.010 1 664 76 76 GLU H H 8.378 0.001 1 665 76 76 GLU HA H 4.317 0.000 1 666 76 76 GLU HB2 H 1.989 0.000 2 667 76 76 GLU HB3 H 2.079 0.000 2 668 76 76 GLU HG2 H 2.276 0.000 1 669 76 76 GLU C C 176.674 0.000 1 670 76 76 GLU CA C 56.975 0.008 1 671 76 76 GLU CB C 30.331 0.010 1 672 76 76 GLU CG C 36.461 0.000 1 673 76 76 GLU N N 121.575 0.017 1 674 77 77 THR H H 8.068 0.002 1 675 77 77 THR HA H 4.294 0.000 1 676 77 77 THR HB H 4.201 0.000 1 677 77 77 THR HG2 H 1.205 0.000 1 678 77 77 THR C C 174.046 0.000 1 679 77 77 THR CA C 62.026 0.092 1 680 77 77 THR CB C 69.987 0.033 1 681 77 77 THR CG2 C 21.595 0.000 1 682 77 77 THR N N 115.023 0.014 1 683 78 78 ALA H H 8.222 0.002 1 684 78 78 ALA HA H 4.353 0.000 1 685 78 78 ALA HB H 1.365 0.000 1 686 78 78 ALA C C 177.310 0.002 1 687 78 78 ALA CA C 52.267 0.028 1 688 78 78 ALA CB C 19.371 0.040 1 689 78 78 ALA N N 126.754 0.016 1 690 79 79 LEU H H 8.208 0.002 1 691 79 79 LEU HA H 4.594 0.000 1 692 79 79 LEU HB2 H 1.594 0.000 1 693 79 79 LEU HG H 1.687 0.000 1 694 79 79 LEU HD1 H 0.920 0.000 2 695 79 79 LEU HD2 H 0.909 0.000 2 696 79 79 LEU C C 175.335 0.000 1 697 79 79 LEU CA C 53.155 0.009 1 698 79 79 LEU CB C 41.741 0.003 1 699 79 79 LEU CG C 26.966 0.000 1 700 79 79 LEU CD1 C 25.192 0.000 2 701 79 79 LEU CD2 C 23.392 0.000 2 702 79 79 LEU N N 123.094 0.010 1 703 80 80 PRO HA H 4.419 0.000 1 704 80 80 PRO HB2 H 2.272 0.000 2 705 80 80 PRO HB3 H 1.921 0.000 2 706 80 80 PRO HG2 H 2.048 0.000 1 707 80 80 PRO HD2 H 3.868 0.000 1 708 80 80 PRO CA C 63.403 0.000 1 709 80 80 PRO CB C 31.987 0.040 1 710 80 80 PRO CG C 27.458 0.003 1 711 80 80 PRO CD C 50.637 0.000 1 712 81 81 GLU HA H 4.159 0.000 1 713 81 81 GLU HB2 H 2.029 0.000 1 714 81 81 GLU HG2 H 2.300 0.000 1 715 81 81 GLU C C 177.185 0.000 1 716 81 81 GLU CA C 57.835 0.001 1 717 81 81 GLU CB C 29.955 0.015 1 718 81 81 GLU CG C 36.365 0.000 1 719 82 82 SER H H 8.274 0.002 1 720 82 82 SER HA H 4.328 0.000 1 721 82 82 SER HB2 H 3.892 0.000 1 722 82 82 SER C C 175.184 0.000 1 723 82 82 SER CA C 59.347 0.072 1 724 82 82 SER CB C 63.403 0.032 1 725 82 82 SER N N 115.482 0.025 1 726 83 83 VAL H H 7.800 0.004 1 727 83 83 VAL HA H 4.055 0.000 1 728 83 83 VAL HB H 2.113 0.000 1 729 83 83 VAL HG1 H 0.952 0.000 1 730 83 83 VAL C C 176.761 0.010 1 731 83 83 VAL CA C 63.222 0.029 1 732 83 83 VAL CB C 32.477 0.006 1 733 83 83 VAL CG1 C 21.065 0.000 1 734 83 83 VAL N N 121.795 0.013 1 735 84 84 LEU H H 8.059 0.005 1 736 84 84 LEU HA H 4.269 0.000 1 737 84 84 LEU HB2 H 1.671 0.000 2 738 84 84 LEU HB3 H 1.592 0.000 2 739 84 84 LEU HD1 H 0.897 0.000 2 740 84 84 LEU HD2 H 0.859 0.000 2 741 84 84 LEU C C 177.946 0.005 1 742 84 84 LEU CA C 55.997 0.016 1 743 84 84 LEU CB C 42.184 0.000 1 744 84 84 LEU CD1 C 24.804 0.000 2 745 84 84 LEU CD2 C 23.770 0.000 2 746 84 84 LEU N N 124.166 0.035 1 747 85 85 ARG H H 8.228 0.001 1 748 85 85 ARG HA H 4.256 0.000 1 749 85 85 ARG HB2 H 1.828 0.000 1 750 85 85 ARG C C 177.098 0.000 1 751 85 85 ARG CA C 56.931 0.013 1 752 85 85 ARG CB C 30.728 0.000 1 753 85 85 ARG N N 121.115 0.031 1 754 86 86 GLU H H 8.301 0.002 1 755 86 86 GLU HA H 4.240 0.000 1 756 86 86 GLU HB2 H 2.084 0.000 2 757 86 86 GLU HB3 H 2.020 0.000 2 758 86 86 GLU HG2 H 2.301 0.000 1 759 86 86 GLU C C 177.187 0.014 1 760 86 86 GLU CA C 57.502 0.022 1 761 86 86 GLU CB C 30.010 0.000 1 762 86 86 GLU CG C 36.308 0.000 1 763 86 86 GLU N N 121.203 0.023 1 764 87 87 SER H H 8.257 0.003 1 765 87 87 SER HA H 4.404 0.000 1 766 87 87 SER HB2 H 3.936 0.000 1 767 87 87 SER C C 175.142 0.000 1 768 87 87 SER CA C 59.255 0.066 1 769 87 87 SER CB C 63.730 0.039 1 770 87 87 SER N N 116.059 0.018 1 771 88 88 GLN H H 8.260 0.002 1 772 88 88 GLN HA H 4.270 0.000 1 773 88 88 GLN HB2 H 2.141 0.000 2 774 88 88 GLN HB3 H 2.068 0.000 2 775 88 88 GLN HG2 H 2.386 0.000 1 776 88 88 GLN C C 176.472 0.019 1 777 88 88 GLN CA C 56.691 0.044 1 778 88 88 GLN CB C 29.048 0.001 1 779 88 88 GLN CG C 33.872 0.000 1 780 88 88 GLN N N 121.841 0.034 1 781 89 89 ARG H H 8.136 0.001 1 782 89 89 ARG HA H 4.270 0.000 1 783 89 89 ARG HB2 H 1.840 0.000 1 784 89 89 ARG HG2 H 1.652 0.000 1 785 89 89 ARG HD2 H 3.208 0.000 1 786 89 89 ARG C C 177.128 0.005 1 787 89 89 ARG CA C 57.137 0.000 1 788 89 89 ARG CB C 30.579 0.005 1 789 89 89 ARG CG C 27.209 0.000 1 790 89 89 ARG CD C 43.329 0.000 1 791 89 89 ARG N N 121.081 0.010 1 792 90 90 GLU H H 8.335 0.001 1 793 90 90 GLU HA H 4.266 0.000 1 794 90 90 GLU HB2 H 2.075 0.000 2 795 90 90 GLU HB3 H 1.979 0.000 2 796 90 90 GLU HG2 H 2.282 0.000 1 797 90 90 GLU C C 177.079 0.005 1 798 90 90 GLU CA C 57.473 0.075 1 799 90 90 GLU CB C 30.022 0.001 1 800 90 90 GLU CG C 36.379 0.000 1 801 90 90 GLU N N 121.080 0.017 1 802 91 91 ARG H H 8.183 0.001 1 803 91 91 ARG HA H 4.259 0.000 1 804 91 91 ARG HB2 H 1.846 0.000 1 805 91 91 ARG HG2 H 1.670 0.000 1 806 91 91 ARG HD2 H 3.207 0.000 1 807 91 91 ARG C C 176.940 0.005 1 808 91 91 ARG CA C 56.884 0.028 1 809 91 91 ARG CB C 30.757 0.006 1 810 91 91 ARG CG C 27.178 0.000 1 811 91 91 ARG CD C 43.386 0.000 1 812 91 91 ARG N N 120.854 0.044 1 813 92 92 GLU H H 8.282 0.000 1 814 92 92 GLU HA H 4.210 0.000 1 815 92 92 GLU HB2 H 2.054 0.000 2 816 92 92 GLU HB3 H 1.975 0.000 2 817 92 92 GLU HG2 H 2.299 0.000 1 818 92 92 GLU C C 176.558 0.000 1 819 92 92 GLU CA C 56.987 0.043 1 820 92 92 GLU CB C 30.187 0.001 1 821 92 92 GLU CG C 36.371 0.000 1 822 92 92 GLU N N 121.131 0.000 1 823 93 93 ALA H H 8.159 0.004 1 824 93 93 ALA HA H 4.300 0.000 1 825 93 93 ALA HB H 1.403 0.000 1 826 93 93 ALA C C 178.054 0.005 1 827 93 93 ALA CA C 52.937 0.002 1 828 93 93 ALA CB C 19.116 0.001 1 829 93 93 ALA N N 124.608 0.043 1 830 94 94 VAL H H 7.971 0.001 1 831 94 94 VAL HA H 4.028 0.000 1 832 94 94 VAL HB H 2.096 0.000 1 833 94 94 VAL HG1 H 0.953 0.000 1 834 94 94 VAL C C 176.454 0.013 1 835 94 94 VAL CA C 62.876 0.002 1 836 94 94 VAL CB C 32.514 0.000 1 837 94 94 VAL CG1 C 21.037 0.000 1 838 94 94 VAL N N 119.060 0.032 1 839 95 95 ARG H H 8.226 0.001 1 840 95 95 ARG HA H 4.327 0.000 1 841 95 95 ARG HB2 H 1.787 0.000 2 842 95 95 ARG HB3 H 1.844 0.000 2 843 95 95 ARG HG2 H 1.611 0.000 2 844 95 95 ARG HG3 H 1.663 0.000 2 845 95 95 ARG HD2 H 3.198 0.000 1 846 95 95 ARG C C 176.433 0.002 1 847 95 95 ARG CA C 56.433 0.009 1 848 95 95 ARG CB C 30.992 0.029 1 849 95 95 ARG CG C 27.188 0.001 1 850 95 95 ARG CD C 43.300 0.000 1 851 95 95 ARG N N 124.413 0.021 1 852 96 96 GLU H H 8.375 0.002 1 853 96 96 GLU HA H 4.290 0.000 1 854 96 96 GLU HB2 H 1.964 0.000 2 855 96 96 GLU HB3 H 2.034 0.000 2 856 96 96 GLU HG2 H 2.259 0.000 1 857 96 96 GLU C C 176.645 0.005 1 858 96 96 GLU CA C 56.816 0.042 1 859 96 96 GLU CB C 30.331 0.000 1 860 96 96 GLU CG C 36.262 0.000 1 861 96 96 GLU N N 122.496 0.030 1 862 97 97 VAL H H 8.098 0.002 1 863 97 97 VAL HA H 4.034 0.000 1 864 97 97 VAL HB H 2.062 0.000 1 865 97 97 VAL HG1 H 0.940 0.000 1 866 97 97 VAL C C 176.098 0.005 1 867 97 97 VAL CA C 62.896 0.017 1 868 97 97 VAL CB C 32.800 0.001 1 869 97 97 VAL CG1 C 20.986 0.000 1 870 97 97 VAL N N 121.673 0.038 1 871 98 98 ALA H H 8.303 0.000 1 872 98 98 ALA HA H 4.307 0.000 1 873 98 98 ALA HB H 1.413 0.000 1 874 98 98 ALA C C 178.166 0.004 1 875 98 98 ALA CA C 52.955 0.004 1 876 98 98 ALA CB C 19.100 0.000 1 877 98 98 ALA N N 127.021 0.013 1 878 99 99 ARG H H 8.239 0.002 1 879 99 99 ARG HA H 4.235 0.000 1 880 99 99 ARG HB2 H 1.883 0.000 2 881 99 99 ARG HB3 H 1.814 0.000 2 882 99 99 ARG HG2 H 1.655 0.000 1 883 99 99 ARG HD2 H 3.218 0.000 1 884 99 99 ARG C C 176.990 0.003 1 885 99 99 ARG CA C 57.020 0.025 1 886 99 99 ARG CB C 30.820 0.022 1 887 99 99 ARG CG C 27.263 0.000 1 888 99 99 ARG CD C 43.374 0.000 1 889 99 99 ARG N N 120.548 0.010 1 890 100 100 GLU H H 8.485 0.001 1 891 100 100 GLU HA H 4.201 0.000 1 892 100 100 GLU HB2 H 2.023 0.000 1 893 100 100 GLU HG2 H 2.273 0.000 1 894 100 100 GLU C C 176.875 0.081 1 895 100 100 GLU CA C 57.581 0.031 1 896 100 100 GLU CB C 30.018 0.016 1 897 100 100 GLU CG C 36.320 0.000 1 898 100 100 GLU N N 121.012 0.023 1 899 101 101 ASN H H 8.393 0.003 1 900 101 101 ASN HA H 4.662 0.000 1 901 101 101 ASN HB2 H 2.781 0.000 2 902 101 101 ASN HB3 H 2.877 0.000 2 903 101 101 ASN C C 175.746 0.002 1 904 101 101 ASN CA C 53.929 0.019 1 905 101 101 ASN CB C 38.646 0.027 1 906 101 101 ASN N N 119.133 0.027 1 907 102 102 LEU H H 8.060 0.003 1 908 102 102 LEU HA H 4.264 0.000 1 909 102 102 LEU HB2 H 1.700 0.000 2 910 102 102 LEU HB3 H 1.620 0.000 2 911 102 102 LEU C C 178.039 0.003 1 912 102 102 LEU CA C 56.307 0.020 1 913 102 102 LEU CB C 42.239 0.001 1 914 102 102 LEU N N 122.140 0.013 1 915 103 103 LEU H H 8.068 0.002 1 916 103 103 LEU HA H 4.226 0.000 1 917 103 103 LEU HB2 H 1.652 0.000 2 918 103 103 LEU HB3 H 1.710 0.000 2 919 103 103 LEU C C 178.101 0.007 1 920 103 103 LEU CA C 56.477 0.001 1 921 103 103 LEU CB C 42.094 0.002 1 922 103 103 LEU N N 121.347 0.026 1 923 104 104 GLN H H 8.140 0.002 1 924 104 104 GLN HA H 4.165 0.000 1 925 104 104 GLN HB2 H 2.082 0.000 1 926 104 104 GLN HG2 H 2.372 0.000 1 927 104 104 GLN C C 177.145 0.002 1 928 104 104 GLN CA C 57.357 0.034 1 929 104 104 GLN CB C 28.984 0.001 1 930 104 104 GLN CG C 33.678 0.000 1 931 104 104 GLN N N 119.631 0.027 1 932 105 105 GLU H H 8.285 0.001 1 933 105 105 GLU HA H 4.165 0.000 1 934 105 105 GLU HB2 H 2.049 0.000 1 935 105 105 GLU HG2 H 2.252 0.000 2 936 105 105 GLU HG3 H 2.322 0.000 2 937 105 105 GLU C C 177.671 0.006 1 938 105 105 GLU CA C 58.151 0.010 1 939 105 105 GLU CB C 29.977 0.000 1 940 105 105 GLU CG C 36.422 0.002 1 941 105 105 GLU N N 120.832 0.033 1 942 106 106 ARG H H 8.132 0.002 1 943 106 106 ARG HA H 4.249 0.000 1 944 106 106 ARG HB2 H 1.892 0.000 1 945 106 106 ARG C C 177.474 0.001 1 946 106 106 ARG CA C 57.458 0.020 1 947 106 106 ARG CB C 30.096 0.000 1 948 106 106 ARG N N 120.726 0.038 1 949 107 107 LEU H H 8.120 0.001 1 950 107 107 LEU HA H 4.244 0.000 1 951 107 107 LEU HB2 H 1.731 0.000 2 952 107 107 LEU HB3 H 1.600 0.000 2 953 107 107 LEU C C 178.480 0.002 1 954 107 107 LEU CA C 56.602 0.009 1 955 107 107 LEU CB C 42.078 0.027 1 956 107 107 LEU N N 121.725 0.031 1 957 108 108 GLN H H 8.208 0.002 1 958 108 108 GLN HA H 4.228 0.000 1 959 108 108 GLN HB2 H 2.107 0.000 1 960 108 108 GLN HG2 H 2.419 0.000 1 961 108 108 GLN C C 177.080 0.004 1 962 108 108 GLN CA C 57.187 0.020 1 963 108 108 GLN CB C 29.064 0.000 1 964 108 108 GLN CG C 34.107 0.000 1 965 108 108 GLN N N 119.695 0.038 1 966 109 109 GLN H H 8.173 0.001 1 967 109 109 GLN HA H 4.182 0.000 1 968 109 109 GLN HB2 H 2.115 0.000 1 969 109 109 GLN HG2 H 2.403 0.000 1 970 109 109 GLN C C 176.636 0.000 1 971 109 109 GLN CA C 57.216 0.000 1 972 109 109 GLN CB C 28.911 0.000 1 973 109 109 GLN CG C 33.740 0.000 1 974 109 109 GLN N N 120.509 0.035 1 975 110 110 MET H H 8.219 0.002 1 976 110 110 MET HA H 4.367 0.000 1 977 110 110 MET HB2 H 2.119 0.000 1 978 110 110 MET HG2 H 2.572 0.000 2 979 110 110 MET HG3 H 2.679 0.000 2 980 110 110 MET C C 177.188 0.002 1 981 110 110 MET CA C 56.948 0.001 1 982 110 110 MET CB C 33.110 0.002 1 983 110 110 MET CG C 32.072 0.027 1 984 110 110 MET N N 120.123 0.031 1 985 111 111 GLU H H 8.216 0.001 1 986 111 111 GLU HA H 4.196 0.000 1 987 111 111 GLU HG2 H 2.341 0.000 2 988 111 111 GLU HG3 H 2.257 0.000 2 989 111 111 GLU C C 177.399 0.003 1 990 111 111 GLU CA C 57.825 0.038 1 991 111 111 GLU CG C 36.422 0.001 1 992 111 111 GLU N N 120.930 0.009 1 993 112 112 ARG H H 8.109 0.001 1 994 112 112 ARG HA H 4.207 0.000 1 995 112 112 ARG HB2 H 1.861 0.000 1 996 112 112 ARG HG2 H 1.711 0.000 2 997 112 112 ARG HG3 H 1.624 0.000 2 998 112 112 ARG HD2 H 3.206 0.000 1 999 112 112 ARG C C 176.984 0.000 1 1000 112 112 ARG CA C 57.429 0.007 1 1001 112 112 ARG CB C 30.762 0.000 1 1002 112 112 ARG CG C 27.247 0.001 1 1003 112 112 ARG CD C 43.505 0.000 1 1004 112 112 ARG N N 120.528 0.022 1 1005 113 113 ASP H H 8.287 0.002 1 1006 113 113 ASP HA H 4.534 0.000 1 1007 113 113 ASP HB2 H 2.713 0.000 1 1008 113 113 ASP C C 176.637 0.007 1 1009 113 113 ASP CA C 55.207 0.014 1 1010 113 113 ASP CB C 40.984 0.014 1 1011 113 113 ASP N N 120.292 0.015 1 1012 114 114 MET H H 8.046 0.001 1 1013 114 114 MET HA H 4.391 0.000 1 1014 114 114 MET HB2 H 2.107 0.000 1 1015 114 114 MET HG2 H 2.646 0.000 2 1016 114 114 MET HG3 H 2.560 0.000 2 1017 114 114 MET C C 176.712 0.050 1 1018 114 114 MET CA C 56.510 0.025 1 1019 114 114 MET CB C 32.825 0.001 1 1020 114 114 MET CG C 32.034 0.000 1 1021 114 114 MET N N 120.111 0.016 1 1022 115 115 VAL H H 7.975 0.002 1 1023 115 115 VAL HA H 4.003 0.000 1 1024 115 115 VAL HB H 2.125 0.000 1 1025 115 115 VAL HG1 H 0.950 0.000 1 1026 115 115 VAL C C 176.709 0.035 1 1027 115 115 VAL CA C 63.509 0.025 1 1028 115 115 VAL CB C 32.404 0.033 1 1029 115 115 VAL CG1 C 21.237 0.000 1 1030 115 115 VAL N N 120.390 0.025 1 1031 116 116 ARG H H 8.152 0.002 1 1032 116 116 ARG HB2 H 1.856 0.000 1 1033 116 116 ARG HG2 H 1.670 0.000 1 1034 116 116 ARG HD2 H 3.210 0.000 1 1035 116 116 ARG C C 176.469 0.001 1 1036 116 116 ARG CA C 56.890 0.081 1 1037 116 116 ARG CB C 30.870 0.006 1 1038 116 116 ARG CG C 27.082 0.000 1 1039 116 116 ARG CD C 43.430 0.000 1 1040 116 116 ARG N N 123.694 0.016 1 1041 117 117 ASP H H 8.273 0.002 1 1042 117 117 ASP HA H 4.580 0.000 1 1043 117 117 ASP HB2 H 2.608 0.000 2 1044 117 117 ASP HB3 H 2.746 0.000 2 1045 117 117 ASP C C 176.675 0.000 1 1046 117 117 ASP CA C 54.763 0.016 1 1047 117 117 ASP CB C 40.984 0.006 1 1048 117 117 ASP N N 120.990 0.017 1 1049 118 118 LEU H H 8.120 0.002 1 1050 118 118 LEU HA H 4.247 0.000 1 1051 118 118 LEU HB2 H 1.696 0.000 2 1052 118 118 LEU HB3 H 1.616 0.000 2 1053 118 118 LEU HG H 1.627 0.000 1 1054 118 118 LEU HD1 H 0.871 0.000 2 1055 118 118 LEU HD2 H 0.930 0.000 2 1056 118 118 LEU C C 177.978 0.004 1 1057 118 118 LEU CA C 56.057 0.011 1 1058 118 118 LEU CB C 42.303 0.001 1 1059 118 118 LEU CG C 27.101 0.000 1 1060 118 118 LEU CD1 C 23.479 0.000 2 1061 118 118 LEU CD2 C 24.986 0.000 2 1062 118 118 LEU N N 122.500 0.022 1 1063 119 119 GLN H H 8.230 0.006 1 1064 119 119 GLN HA H 4.258 0.000 1 1065 119 119 GLN HB2 H 2.060 0.000 2 1066 119 119 GLN HB3 H 2.137 0.000 2 1067 119 119 GLN HG2 H 2.390 0.000 1 1068 119 119 GLN C C 176.479 0.001 1 1069 119 119 GLN CA C 56.443 0.015 1 1070 119 119 GLN CB C 29.002 0.008 1 1071 119 119 GLN CG C 33.996 0.000 1 1072 119 119 GLN N N 119.644 0.055 1 1073 120 120 LYS H H 8.040 0.005 1 1074 120 120 LYS HA H 4.234 0.000 1 1075 120 120 LYS HB2 H 1.846 0.000 1 1076 120 120 LYS HG2 H 1.444 0.000 1 1077 120 120 LYS HD2 H 1.681 0.000 1 1078 120 120 LYS HE2 H 2.995 0.000 1 1079 120 120 LYS C C 176.895 0.001 1 1080 120 120 LYS CA C 56.868 0.000 1 1081 120 120 LYS CB C 33.095 0.002 1 1082 120 120 LYS CG C 24.813 0.000 1 1083 120 120 LYS CD C 29.030 0.000 1 1084 120 120 LYS CE C 42.258 0.000 1 1085 120 120 LYS N N 121.554 0.015 1 1086 121 121 GLU H H 8.303 0.002 1 1087 121 121 GLU HA H 4.240 0.000 1 1088 121 121 GLU HB2 H 2.055 0.000 2 1089 121 121 GLU HB3 H 1.969 0.000 2 1090 121 121 GLU HG2 H 2.279 0.000 1 1091 121 121 GLU C C 176.675 0.005 1 1092 121 121 GLU CA C 56.963 0.000 1 1093 121 121 GLU CB C 30.240 0.001 1 1094 121 121 GLU CG C 36.311 0.000 1 1095 121 121 GLU N N 121.234 0.039 1 1096 122 122 LYS H H 8.250 0.002 1 1097 122 122 LYS HA H 4.357 0.000 1 1098 122 122 LYS HB2 H 1.794 0.000 2 1099 122 122 LYS HB3 H 1.864 0.000 2 1100 122 122 LYS HG2 H 1.451 0.000 1 1101 122 122 LYS HD2 H 1.688 0.000 1 1102 122 122 LYS HE2 H 2.996 0.000 1 1103 122 122 LYS C C 176.867 0.006 1 1104 122 122 LYS CA C 56.615 0.018 1 1105 122 122 LYS CB C 33.003 0.022 1 1106 122 122 LYS CG C 24.887 0.000 1 1107 122 122 LYS CD C 29.061 0.000 1 1108 122 122 LYS CE C 42.189 0.000 1 1109 122 122 LYS N N 122.026 0.038 1 1110 123 123 THR H H 8.163 0.006 1 1111 123 123 THR HA H 4.331 0.000 1 1112 123 123 THR HB H 4.216 0.000 1 1113 123 123 THR HG2 H 1.210 0.000 1 1114 123 123 THR C C 174.682 0.002 1 1115 123 123 THR CA C 62.102 0.027 1 1116 123 123 THR CB C 69.903 0.005 1 1117 123 123 THR CG2 C 21.702 0.000 1 1118 123 123 THR N N 115.671 0.039 1 1119 124 124 LEU H H 8.305 0.018 1 1120 124 124 LEU HA H 4.380 0.000 1 1121 124 124 LEU HB2 H 1.651 0.000 1 1122 124 124 LEU HD1 H 0.887 0.000 2 1123 124 124 LEU HD2 H 0.928 0.000 2 1124 124 124 LEU C C 177.876 0.002 1 1125 124 124 LEU CA C 55.546 0.003 1 1126 124 124 LEU CB C 42.409 0.035 1 1127 124 124 LEU CD1 C 23.576 0.000 2 1128 124 124 LEU CD2 C 24.861 0.000 2 1129 124 124 LEU N N 124.714 0.132 1 1130 125 125 GLY H H 8.382 0.002 1 1131 125 125 GLY HA2 H 3.983 0.000 1 1132 125 125 GLY C C 174.476 0.002 1 1133 125 125 GLY CA C 45.392 0.030 1 1134 125 125 GLY N N 109.852 0.020 1 1135 126 126 GLY H H 8.159 0.001 1 1136 126 126 GLY HA2 H 3.972 0.000 1 1137 126 126 GLY C C 183.086 0.001 1 1138 126 126 GLY CA C 45.242 0.014 1 1139 126 126 GLY N N 109.256 0.028 1 1140 127 127 ASP H H 7.957 0.001 1 1141 127 127 ASP HA H 4.412 0.000 1 1142 127 127 ASP HB2 H 2.539 0.000 2 1143 127 127 ASP HB3 H 2.664 0.000 2 1144 127 127 ASP C C 181.025 0.000 1 1145 127 127 ASP CA C 55.900 0.033 1 1146 127 127 ASP CB C 42.358 0.007 1 1147 127 127 ASP N N 125.786 0.011 1 stop_ save_