data_7021 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone dynamics and domain motions of the Mip protein from legionella pneumophilia in solution ; _BMRB_accession_number 7021 _BMRB_flat_file_name bmr7021.str _Entry_type original _Submission_date 2006-03-15 _Accession_date 2006-03-15 _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 Horstmann Martin . . 2 Ehses Philipp . . 3 Schweimer Kristian . . 4 Kamphausen Thilo . . 5 Fischer Gunter . . 6 Steinert Michael . . 7 Hacker org . . 8 osch Paul . . 9 Faber Cornelius . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 793 "13C chemical shifts" 663 "15N chemical shifts" 178 "T1 relaxation values" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-11 update BMRB 'spectrometer frequency corrected and T1 units changed from s to ms' stop_ loop_ _Related_BMRB_accession_number _Relationship 6334 'FKBB domain of LpMip' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Domain Motions of the Mip Protein from Legionella pneumophila' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17014083 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Horstmann Martin . . 2 Ehses Philipp . . 3 Schweimer Kristian . . 4 Steinert Michael . . 5 Kamphausen Thilo . . 6 Fischer Gunter . . 7 Hacker Jorg . . 8 Roesch Paul . . 9 Faber Cornelius . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 45 _Journal_issue 40 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 12303 _Page_last 12311 _Year 2006 _Details . loop_ _Keyword dispersion 'domain motion' NMR relaxation stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name LpMip _Abbreviation_common LpMip _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'LpMip is a homodimer' $LpMip 'LpMip is a homodimer' $LpMip stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'LpMip is a homodimer' 1 'LpMip is a homodimer' stop_ _Database_query_date . _Details 'LpMip is a homodimer' save_ ######################## # Monomeric polymers # ######################## save_LpMip _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LpMip _Molecular_mass . _Mol_thiol_state 'not reported' _Details homodimer ############################## # Polymer residue sequence # ############################## _Residue_count 213 _Mol_residue_sequence ; ATDATSLATDKDKLSYSIGA DLGKNFKNQGIDVNPEAMAK GMQDAMSGAQLALTEQQMKD VLNKFQKDLMAKRTAEFNKK ADENKVKGEAFLTENKNKPG VVVLPSGLQYKVINSGNGVK PGKSDTVTVEYTGRLIDGTV FDSTEKTGKPATFQVSQVIP GWTEALQLMPAGSTWEIYVP SGLAYGPRSVGGPIGPNETL IFKIHLISVKKSS ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 THR 3 ASP 4 ALA 5 THR 6 SER 7 LEU 8 ALA 9 THR 10 ASP 11 LYS 12 ASP 13 LYS 14 LEU 15 SER 16 TYR 17 SER 18 ILE 19 GLY 20 ALA 21 ASP 22 LEU 23 GLY 24 LYS 25 ASN 26 PHE 27 LYS 28 ASN 29 GLN 30 GLY 31 ILE 32 ASP 33 VAL 34 ASN 35 PRO 36 GLU 37 ALA 38 MET 39 ALA 40 LYS 41 GLY 42 MET 43 GLN 44 ASP 45 ALA 46 MET 47 SER 48 GLY 49 ALA 50 GLN 51 LEU 52 ALA 53 LEU 54 THR 55 GLU 56 GLN 57 GLN 58 MET 59 LYS 60 ASP 61 VAL 62 LEU 63 ASN 64 LYS 65 PHE 66 GLN 67 LYS 68 ASP 69 LEU 70 MET 71 ALA 72 LYS 73 ARG 74 THR 75 ALA 76 GLU 77 PHE 78 ASN 79 LYS 80 LYS 81 ALA 82 ASP 83 GLU 84 ASN 85 LYS 86 VAL 87 LYS 88 GLY 89 GLU 90 ALA 91 PHE 92 LEU 93 THR 94 GLU 95 ASN 96 LYS 97 ASN 98 LYS 99 PRO 100 GLY 101 VAL 102 VAL 103 VAL 104 LEU 105 PRO 106 SER 107 GLY 108 LEU 109 GLN 110 TYR 111 LYS 112 VAL 113 ILE 114 ASN 115 SER 116 GLY 117 ASN 118 GLY 119 VAL 120 LYS 121 PRO 122 GLY 123 LYS 124 SER 125 ASP 126 THR 127 VAL 128 THR 129 VAL 130 GLU 131 TYR 132 THR 133 GLY 134 ARG 135 LEU 136 ILE 137 ASP 138 GLY 139 THR 140 VAL 141 PHE 142 ASP 143 SER 144 THR 145 GLU 146 LYS 147 THR 148 GLY 149 LYS 150 PRO 151 ALA 152 THR 153 PHE 154 GLN 155 VAL 156 SER 157 GLN 158 VAL 159 ILE 160 PRO 161 GLY 162 TRP 163 THR 164 GLU 165 ALA 166 LEU 167 GLN 168 LEU 169 MET 170 PRO 171 ALA 172 GLY 173 SER 174 THR 175 TRP 176 GLU 177 ILE 178 TYR 179 VAL 180 PRO 181 SER 182 GLY 183 LEU 184 ALA 185 TYR 186 GLY 187 PRO 188 ARG 189 SER 190 VAL 191 GLY 192 GLY 193 PRO 194 ILE 195 GLY 196 PRO 197 ASN 198 GLU 199 THR 200 LEU 201 ILE 202 PHE 203 LYS 204 ILE 205 HIS 206 LEU 207 ILE 208 SER 209 VAL 210 LYS 211 LYS 212 SER 213 SER 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 $LpMip 'Legionella pneumophila' 446 Eubacteria . Legionella 'L. pneumophila' 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 $LpMip 'recombinant technology' 'E. coli' . . . . 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 $LpMip 0.9 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_Bruker_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label $sample_1 save_ save_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $sample_1 save_ save_HCCHTOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label $sample_1 save_ save_15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label $sample_1 save_ save_13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _Sample_label $sample_1 save_ save_15N_15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N 15N NOESY' _Sample_label $sample_1 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_C(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCHTOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_15N_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '15N 15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'LpMip is a homodimer' _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 ALA HA H 4.077 0.02 1 2 . 1 ALA HB H 1.420 0.02 1 3 . 1 ALA C C 173.908 0.05 1 4 . 1 ALA CA C 51.887 0.05 1 5 . 1 ALA CB C 19.295 0.05 1 6 . 2 THR H H 8.575 0.02 1 7 . 2 THR HA H 4.189 0.02 1 8 . 2 THR HB H 3.997 0.02 1 9 . 2 THR C C 173.640 0.05 1 10 . 2 THR CA C 62.490 0.05 1 11 . 2 THR CB C 69.410 0.05 1 12 . 2 THR N N 116.477 0.05 1 13 . 3 ASP H H 8.462 0.02 1 14 . 3 ASP HA H 4.514 0.02 1 15 . 3 ASP HB2 H 2.576 0.02 1 16 . 3 ASP HB3 H 2.576 0.02 1 17 . 3 ASP C C 176.440 0.05 1 18 . 3 ASP CA C 53.896 0.05 1 19 . 3 ASP CB C 41.283 0.05 1 20 . 3 ASP N N 124.681 0.05 1 21 . 4 ALA H H 8.564 0.02 1 22 . 4 ALA HA H 4.027 0.02 1 23 . 4 ALA HB H 1.307 0.02 1 24 . 4 ALA C C 178.626 0.05 1 25 . 4 ALA CA C 53.673 0.05 1 26 . 4 ALA CB C 18.849 0.05 1 27 . 4 ALA N N 126.490 0.05 1 28 . 5 THR H H 8.196 0.02 1 29 . 5 THR HA H 4.066 0.02 1 30 . 5 THR HB H 4.066 0.02 1 31 . 5 THR HG2 H 1.069 0.02 1 32 . 5 THR C C 174.946 0.05 1 33 . 5 THR CA C 62.890 0.05 1 34 . 5 THR CB C 69.270 0.05 1 35 . 5 THR N N 112.869 0.05 1 36 . 6 SER H H 8.001 0.02 1 37 . 6 SER HA H 4.274 0.02 1 38 . 6 SER HB2 H 3.759 0.02 1 39 . 6 SER HB3 H 3.759 0.02 1 40 . 6 SER C C 174.090 0.05 1 41 . 6 SER CA C 58.860 0.05 1 42 . 6 SER CB C 63.470 0.05 1 43 . 6 SER N N 118.260 0.05 1 44 . 7 LEU H H 7.954 0.02 1 45 . 7 LEU HA H 4.301 0.02 1 46 . 7 LEU HB2 H 0.871 0.02 2 47 . 7 LEU HB3 H 1.632 0.02 2 48 . 7 LEU HG H 1.212 0.02 1 49 . 7 LEU HD1 H 0.124 0.02 2 50 . 7 LEU HD2 H 0.525 0.02 2 51 . 7 LEU C C 175.289 0.05 1 52 . 7 LEU CA C 53.080 0.05 1 53 . 7 LEU CB C 40.530 0.05 1 54 . 7 LEU CG C 25.607 0.05 1 55 . 7 LEU CD1 C 25.334 0.05 1 56 . 7 LEU CD2 C 22.600 0.05 1 57 . 7 LEU N N 124.395 0.05 1 58 . 8 ALA H H 8.217 0.02 1 59 . 8 ALA HA H 4.127 0.02 1 60 . 8 ALA HB H 1.322 0.02 1 61 . 8 ALA C C 178.536 0.05 1 62 . 8 ALA CA C 54.270 0.05 1 63 . 8 ALA CB C 20.300 0.05 1 64 . 8 ALA N N 124.159 0.05 1 65 . 9 THR H H 7.946 0.02 1 66 . 9 THR C C 175.617 0.05 1 67 . 9 THR CA C 59.588 0.05 1 68 . 9 THR CB C 72.201 0.05 1 69 . 9 THR N N 107.333 0.05 1 70 . 10 ASP H H 8.961 0.02 1 71 . 10 ASP HA H 4.636 0.02 1 72 . 10 ASP HB2 H 2.665 0.02 2 73 . 10 ASP HB3 H 2.754 0.02 2 74 . 10 ASP C C 178.748 0.05 1 75 . 10 ASP CA C 57.691 0.05 1 76 . 10 ASP CB C 39.274 0.05 1 77 . 10 ASP N N 123.387 0.05 1 78 . 11 LYS H H 8.425 0.02 1 79 . 11 LYS HA H 4.229 0.02 1 80 . 11 LYS HB2 H 1.580 0.02 1 81 . 11 LYS HB3 H 1.580 0.02 1 82 . 11 LYS HD2 H 2.010 0.02 2 83 . 11 LYS HD3 H 1.800 0.02 2 84 . 11 LYS C C 180.119 0.05 1 85 . 11 LYS CA C 59.365 0.05 1 86 . 11 LYS CB C 31.796 0.05 1 87 . 11 LYS CG C 23.800 0.05 1 88 . 11 LYS CE C 36.100 0.05 1 89 . 11 LYS N N 121.898 0.05 1 90 . 12 ASP H H 8.035 0.02 1 91 . 12 ASP HA H 4.220 0.02 1 92 . 12 ASP HB2 H 2.596 0.02 2 93 . 12 ASP C C 178.080 0.05 1 94 . 12 ASP CA C 58.357 0.05 1 95 . 12 ASP CB C 40.046 0.05 1 96 . 12 ASP N N 125.640 0.05 1 97 . 13 LYS H H 8.220 0.02 1 98 . 13 LYS C C 175.883 0.05 1 99 . 13 LYS CA C 60.730 0.05 1 100 . 13 LYS CB C 32.990 0.05 1 101 . 13 LYS N N 120.950 0.05 1 102 . 14 LEU H H 8.832 0.02 1 103 . 14 LEU HD1 H 1.064 0.02 2 104 . 14 LEU C C 177.624 0.05 1 105 . 14 LEU CA C 58.290 0.05 1 106 . 14 LEU CB C 40.504 0.05 1 107 . 14 LEU CG C 24.100 0.05 1 108 . 14 LEU CD1 C 22.500 0.05 1 109 . 14 LEU N N 123.950 0.05 1 110 . 15 SER H H 7.860 0.02 1 111 . 15 SER HA H 4.220 0.02 1 112 . 15 SER HB2 H 3.980 0.02 2 113 . 15 SER HB3 H 3.650 0.02 2 114 . 15 SER CA C 57.047 0.05 1 115 . 15 SER CB C 63.932 0.05 1 116 . 15 SER N N 114.500 0.05 1 117 . 16 TYR H H 8.490 0.02 1 118 . 16 TYR HA H 3.970 0.02 1 119 . 16 TYR HB2 H 2.850 0.02 2 120 . 16 TYR HB3 H 2.790 0.02 2 121 . 16 TYR CA C 61.828 0.05 1 122 . 16 TYR CB C 39.739 0.05 1 123 . 16 TYR N N 122.840 0.05 1 124 . 17 SER H H 7.900 0.02 1 125 . 17 SER HA H 3.861 0.02 1 126 . 17 SER HB2 H 4.086 0.02 2 127 . 17 SER CA C 63.500 0.05 1 128 . 17 SER N N 115.400 0.05 1 129 . 18 ILE H H 8.440 0.02 1 130 . 18 ILE N N 122.800 0.05 1 131 . 19 GLY HA2 H 3.743 0.02 2 132 . 19 GLY HA3 H 3.849 0.02 2 133 . 19 GLY CA C 45.400 0.05 1 134 . 20 ALA H H 8.020 0.02 1 135 . 20 ALA HA H 4.200 0.02 1 136 . 20 ALA HB H 1.480 0.02 1 137 . 20 ALA CA C 55.039 0.05 1 138 . 20 ALA CB C 17.746 0.05 1 139 . 20 ALA N N 124.556 0.05 1 140 . 22 LEU CA C 54.700 0.05 1 141 . 22 LEU CB C 40.800 0.05 1 142 . 23 GLY H H 8.414 0.02 1 143 . 23 GLY CA C 47.640 0.05 1 144 . 23 GLY N N 110.030 0.05 1 145 . 27 LYS HA H 4.430 0.02 1 146 . 27 LYS HB2 H 2.292 0.02 2 147 . 27 LYS HG2 H 1.920 0.02 2 148 . 27 LYS CA C 58.800 0.05 1 149 . 27 LYS CB C 29.000 0.05 1 150 . 27 LYS CG C 24.000 0.05 1 151 . 27 LYS CD C 32.000 0.05 1 152 . 27 LYS CE C 42.150 0.05 1 153 . 28 ASN H H 8.220 0.02 1 154 . 28 ASN HA H 4.400 0.02 1 155 . 28 ASN HB2 H 2.850 0.02 2 156 . 28 ASN HB3 H 2.970 0.02 2 157 . 28 ASN HD21 H 6.820 0.02 2 158 . 28 ASN CA C 55.710 0.05 1 159 . 28 ASN CB C 37.860 0.05 1 160 . 28 ASN N N 119.200 0.05 1 161 . 29 GLN H H 7.910 0.02 1 162 . 29 GLN HA H 4.300 0.02 1 163 . 29 GLN HB2 H 1.976 0.02 2 164 . 29 GLN HB3 H 2.250 0.02 2 165 . 29 GLN HG2 H 2.240 0.02 2 166 . 29 GLN HG3 H 2.480 0.02 2 167 . 29 GLN CA C 56.000 0.05 1 168 . 29 GLN CB C 30.080 0.05 1 169 . 29 GLN CG C 34.200 0.05 1 170 . 29 GLN N N 116.430 0.05 1 171 . 30 GLY H H 7.800 0.02 1 172 . 30 GLY HA2 H 3.930 0.02 2 173 . 30 GLY C C 174.544 0.05 1 174 . 30 GLY CA C 46.433 0.05 1 175 . 30 GLY N N 109.525 0.05 1 176 . 31 ILE H H 8.190 0.02 1 177 . 31 ILE HA H 3.740 0.02 1 178 . 31 ILE HB H 1.410 0.02 1 179 . 31 ILE HG12 H 0.362 0.02 1 180 . 31 ILE CA C 60.248 0.05 1 181 . 31 ILE CB C 38.381 0.05 1 182 . 31 ILE CG1 C 20.530 0.05 1 183 . 31 ILE CG2 C 16.490 0.05 1 184 . 31 ILE CD1 C 12.450 0.05 1 185 . 31 ILE N N 121.713 0.05 1 186 . 32 ASP H H 8.300 0.02 1 187 . 32 ASP HA H 4.620 0.02 1 188 . 32 ASP C C 174.710 0.05 1 189 . 32 ASP CA C 53.130 0.05 1 190 . 32 ASP CB C 41.440 0.05 1 191 . 32 ASP N N 128.800 0.05 1 192 . 33 VAL H H 6.960 0.02 1 193 . 33 VAL HA H 4.010 0.02 1 194 . 33 VAL HB H 1.420 0.02 1 195 . 33 VAL HG1 H 0.440 0.02 2 196 . 33 VAL HG2 H 0.240 0.02 2 197 . 33 VAL CA C 59.070 0.05 1 198 . 33 VAL CB C 35.664 0.05 1 199 . 33 VAL CG2 C 20.787 0.05 1 200 . 33 VAL N N 116.838 0.05 1 201 . 34 ASN H H 8.820 0.02 1 202 . 34 ASN HA H 5.100 0.02 1 203 . 35 PRO HA H 3.800 0.02 1 204 . 35 PRO HB2 H 1.900 0.02 2 205 . 35 PRO HB3 H 2.100 0.02 2 206 . 35 PRO C C 179.093 0.05 1 207 . 35 PRO CA C 64.874 0.05 1 208 . 35 PRO CB C 33.036 0.05 1 209 . 35 PRO CG C 27.700 0.05 1 210 . 35 PRO CD C 45.400 0.05 1 211 . 36 GLU H H 7.638 0.02 1 212 . 36 GLU HA H 3.930 0.02 1 213 . 36 GLU HB2 H 1.970 0.02 2 214 . 36 GLU HG2 H 2.120 0.02 2 215 . 36 GLU HG3 H 2.230 0.02 2 216 . 36 GLU CA C 59.080 0.05 1 217 . 36 GLU CB C 28.800 0.05 1 218 . 36 GLU CG C 36.000 0.05 1 219 . 36 GLU N N 115.747 0.05 1 220 . 37 ALA H H 6.700 0.02 1 221 . 37 ALA HA H 4.120 0.02 1 222 . 37 ALA HB H 1.410 0.02 1 223 . 37 ALA C C 179.276 0.05 1 224 . 37 ALA CA C 54.210 0.05 1 225 . 37 ALA CB C 18.430 0.05 1 226 . 37 ALA N N 122.525 0.05 1 227 . 38 MET H H 7.650 0.02 1 228 . 38 MET HA H 4.000 0.02 1 229 . 38 MET HB2 H 1.640 0.02 2 230 . 38 MET HG2 H 2.367 0.02 2 231 . 38 MET C C 178.173 0.05 1 232 . 38 MET CA C 58.700 0.05 1 233 . 38 MET CB C 31.900 0.05 1 234 . 38 MET N N 118.300 0.05 1 235 . 39 ALA H H 8.248 0.02 1 236 . 39 ALA HA H 3.790 0.02 1 237 . 39 ALA HB H 1.300 0.02 1 238 . 39 ALA C C 179.133 0.05 1 239 . 39 ALA CA C 55.040 0.05 1 240 . 39 ALA CB C 17.750 0.05 1 241 . 39 ALA N N 121.715 0.05 1 242 . 40 LYS H H 7.578 0.02 1 243 . 40 LYS HA H 3.982 0.02 1 244 . 40 LYS HB2 H 1.905 0.02 2 245 . 40 LYS HE2 H 0.750 0.02 2 246 . 40 LYS C C 177.952 0.05 1 247 . 40 LYS CA C 58.768 0.05 1 248 . 40 LYS CB C 31.611 0.05 1 249 . 40 LYS N N 119.300 0.05 1 250 . 41 GLY H H 7.685 0.02 1 251 . 41 GLY C C 175.156 0.05 1 252 . 41 GLY CA C 46.815 0.05 1 253 . 41 GLY N N 108.154 0.05 1 254 . 42 MET H H 7.869 0.02 1 255 . 42 MET HB2 H 1.958 0.02 2 256 . 42 MET C C 179.612 0.05 1 257 . 42 MET CA C 59.437 0.05 1 258 . 42 MET CB C 33.619 0.05 1 259 . 42 MET N N 120.970 0.05 1 260 . 43 GLN H H 8.655 0.02 1 261 . 43 GLN HA H 3.940 0.02 1 262 . 43 GLN HB2 H 2.031 0.02 2 263 . 43 GLN HB3 H 2.074 0.02 2 264 . 43 GLN HG2 H 2.353 0.02 2 265 . 43 GLN C C 179.370 0.05 1 266 . 43 GLN CA C 58.550 0.05 1 267 . 43 GLN CB C 28.400 0.05 1 268 . 43 GLN N N 119.980 0.05 1 269 . 44 ASP H H 8.760 0.02 1 270 . 44 ASP HA H 4.175 0.02 1 271 . 44 ASP HB2 H 2.388 0.02 1 272 . 44 ASP HB3 H 2.388 0.02 1 273 . 44 ASP C C 181.106 0.05 1 274 . 44 ASP CA C 57.200 0.05 1 275 . 44 ASP CB C 39.200 0.05 1 276 . 44 ASP N N 122.320 0.05 1 277 . 45 ALA H H 7.970 0.02 1 278 . 45 ALA HA H 4.079 0.02 1 279 . 45 ALA HB H 1.410 0.02 1 280 . 45 ALA CA C 54.800 0.05 1 281 . 45 ALA CB C 19.800 0.05 1 282 . 45 ALA N N 120.700 0.05 1 283 . 46 MET H H 8.580 0.02 1 284 . 46 MET C C 177.297 0.05 1 285 . 46 MET CA C 59.380 0.05 1 286 . 46 MET CB C 32.750 0.05 1 287 . 46 MET N N 116.630 0.05 1 288 . 47 SER H H 8.037 0.02 1 289 . 47 SER HA H 4.416 0.02 1 290 . 47 SER HB2 H 3.964 0.02 1 291 . 47 SER HB3 H 3.964 0.02 1 292 . 47 SER C C 175.544 0.05 1 293 . 47 SER CA C 59.031 0.05 1 294 . 47 SER CB C 64.402 0.05 1 295 . 47 SER N N 112.572 0.05 1 296 . 48 GLY H H 7.552 0.02 1 297 . 48 GLY HA2 H 3.973 0.02 1 298 . 48 GLY HA3 H 3.973 0.02 1 299 . 48 GLY C C 174.125 0.05 1 300 . 48 GLY CA C 46.000 0.05 1 301 . 48 GLY N N 110.882 0.05 1 302 . 49 ALA H H 7.825 0.02 1 303 . 49 ALA HA H 4.151 0.02 1 304 . 49 ALA HB H 1.188 0.02 1 305 . 49 ALA C C 176.633 0.05 1 306 . 49 ALA CA C 51.380 0.05 1 307 . 49 ALA CB C 19.710 0.05 1 308 . 49 ALA N N 123.440 0.05 1 309 . 50 GLN H H 8.086 0.02 1 310 . 50 GLN HA H 4.845 0.02 1 311 . 50 GLN HB2 H 1.741 0.02 2 312 . 50 GLN HB3 H 1.999 0.02 2 313 . 50 GLN HG2 H 2.244 0.02 1 314 . 50 GLN HG3 H 2.244 0.02 1 315 . 50 GLN C C 176.059 0.05 1 316 . 50 GLN CA C 56.140 0.05 1 317 . 50 GLN CB C 28.240 0.05 1 318 . 50 GLN CG C 34.084 0.05 1 319 . 50 GLN N N 119.124 0.05 1 320 . 51 LEU H H 8.466 0.02 1 321 . 51 LEU HA H 4.408 0.02 1 322 . 51 LEU C C 178.568 0.05 1 323 . 51 LEU CA C 54.650 0.05 1 324 . 51 LEU CB C 42.280 0.05 1 325 . 51 LEU N N 126.524 0.05 1 326 . 52 ALA H H 8.498 0.02 1 327 . 52 ALA HA H 3.855 0.02 1 328 . 52 ALA HB H 0.751 0.02 1 329 . 52 ALA C C 176.164 0.05 1 330 . 52 ALA CA C 53.273 0.05 1 331 . 52 ALA CB C 19.239 0.05 1 332 . 52 ALA N N 121.241 0.05 1 333 . 53 LEU H H 6.600 0.02 1 334 . 53 LEU HA H 4.626 0.02 1 335 . 53 LEU HB2 H 1.398 0.02 1 336 . 53 LEU HB3 H 1.398 0.02 1 337 . 53 LEU HD1 H 1.090 0.02 2 338 . 53 LEU HD2 H 0.644 0.02 2 339 . 53 LEU C C 175.950 0.05 1 340 . 53 LEU CA C 51.998 0.05 1 341 . 53 LEU CB C 45.413 0.05 1 342 . 53 LEU N N 113.681 0.05 1 343 . 54 THR H H 8.625 0.02 1 344 . 54 THR HA H 4.241 0.02 1 345 . 54 THR HB H 4.665 0.02 1 346 . 54 THR HG2 H 1.176 0.02 1 347 . 54 THR C C 175.283 0.05 1 348 . 54 THR CA C 60.816 0.05 1 349 . 54 THR CB C 70.861 0.05 1 350 . 54 THR N N 110.947 0.05 1 351 . 55 GLU H H 8.850 0.02 1 352 . 55 GLU HA H 3.875 0.02 1 353 . 55 GLU HB2 H 1.950 0.02 2 354 . 55 GLU HG2 H 2.134 0.02 2 355 . 55 GLU HG3 H 2.264 0.02 2 356 . 55 GLU C C 177.069 0.05 1 357 . 55 GLU CA C 59.920 0.05 1 358 . 55 GLU CB C 28.940 0.05 1 359 . 55 GLU CG C 36.000 0.05 1 360 . 55 GLU N N 121.310 0.05 1 361 . 56 GLN H H 8.460 0.02 1 362 . 56 GLN HA H 3.911 0.02 1 363 . 56 GLN HB2 H 2.030 0.02 2 364 . 56 GLN HB3 H 1.850 0.02 2 365 . 56 GLN HG2 H 2.320 0.02 2 366 . 56 GLN C C 177.800 0.05 1 367 . 56 GLN CA C 58.577 0.05 1 368 . 56 GLN CB C 28.264 0.05 1 369 . 56 GLN N N 118.550 0.05 1 370 . 57 GLN H H 7.770 0.02 1 371 . 57 GLN HA H 4.000 0.02 1 372 . 57 GLN HB2 H 1.930 0.02 2 373 . 57 GLN HB3 H 2.290 0.02 2 374 . 57 GLN CA C 58.800 0.05 1 375 . 57 GLN CB C 29.300 0.05 1 376 . 57 GLN N N 118.990 0.05 1 377 . 69 LEU HA H 3.620 0.02 1 378 . 69 LEU HB2 H 1.550 0.02 2 379 . 69 LEU HB3 H 1.610 0.02 2 380 . 69 LEU C C 177.146 0.05 1 381 . 69 LEU CA C 55.678 0.05 1 382 . 69 LEU CB C 41.849 0.05 1 383 . 69 LEU CG C 32.600 0.05 1 384 . 70 MET H H 8.000 0.02 1 385 . 70 MET HA H 4.323 0.02 1 386 . 70 MET HB2 H 1.874 0.02 2 387 . 70 MET HB3 H 2.022 0.02 2 388 . 70 MET HG2 H 2.505 0.02 2 389 . 70 MET HE H 0.793 0.02 1 390 . 70 MET C C 174.880 0.05 1 391 . 70 MET CA C 55.277 0.05 1 392 . 70 MET CB C 32.429 0.05 1 393 . 70 MET N N 118.921 0.05 1 394 . 71 ALA H H 7.590 0.02 1 395 . 71 ALA HA H 4.348 0.02 1 396 . 71 ALA HB H 1.220 0.02 1 397 . 71 ALA CA C 53.800 0.05 1 398 . 71 ALA CB C 19.850 0.05 1 399 . 71 ALA N N 130.040 0.05 1 400 . 72 LYS N N 111.000 0.05 1 401 . 73 ARG C C 176.322 0.05 1 402 . 73 ARG CA C 56.100 0.05 1 403 . 73 ARG CB C 30.400 0.05 1 404 . 74 THR H H 8.236 0.02 1 405 . 74 THR HA H 4.230 0.02 1 406 . 74 THR C C 173.601 0.05 1 407 . 74 THR CA C 62.160 0.05 1 408 . 74 THR CB C 69.960 0.05 1 409 . 74 THR N N 116.970 0.05 1 410 . 75 ALA H H 8.434 0.02 1 411 . 75 ALA C C 178.166 0.05 1 412 . 75 ALA CA C 53.463 0.05 1 413 . 75 ALA CB C 18.853 0.05 1 414 . 75 ALA N N 125.800 0.05 1 415 . 76 GLU H H 8.383 0.02 1 416 . 76 GLU C C 177.021 0.05 1 417 . 76 GLU CA C 57.318 0.05 1 418 . 76 GLU CB C 29.881 0.05 1 419 . 76 GLU N N 120.494 0.05 1 420 . 77 PHE H H 8.170 0.02 1 421 . 77 PHE C C 175.857 0.05 1 422 . 77 PHE CA C 59.111 0.05 1 423 . 77 PHE CB C 39.206 0.05 1 424 . 77 PHE N N 121.950 0.05 1 425 . 78 ASN H H 8.188 0.02 1 426 . 78 ASN HA H 4.944 0.02 1 427 . 78 ASN HB2 H 2.636 0.02 2 428 . 78 ASN HB3 H 2.737 0.02 2 429 . 78 ASN CA C 53.911 0.05 1 430 . 78 ASN CB C 38.399 0.05 1 431 . 78 ASN N N 120.494 0.05 1 432 . 80 LYS C C 177.376 0.05 1 433 . 81 ALA H H 8.795 0.02 1 434 . 81 ALA C C 179.185 0.05 1 435 . 81 ALA CA C 54.900 0.05 1 436 . 81 ALA CB C 18.500 0.05 1 437 . 81 ALA N N 121.700 0.05 1 438 . 82 ASP H H 7.650 0.02 1 439 . 82 ASP C C 177.640 0.05 1 440 . 82 ASP CA C 55.900 0.05 1 441 . 82 ASP CB C 40.700 0.05 1 442 . 82 ASP N N 117.700 0.05 1 443 . 83 GLU H H 7.920 0.02 1 444 . 83 GLU C C 178.660 0.05 1 445 . 83 GLU CA C 58.800 0.05 1 446 . 83 GLU CB C 29.700 0.05 1 447 . 83 GLU N N 121.700 0.05 1 448 . 84 ASN H H 8.570 0.02 1 449 . 84 ASN C C 178.510 0.05 1 450 . 84 ASN CA C 55.400 0.05 1 451 . 84 ASN CB C 37.000 0.05 1 452 . 84 ASN N N 118.800 0.05 1 453 . 85 LYS H H 7.650 0.02 1 454 . 85 LYS CA C 59.300 0.05 1 455 . 85 LYS CB C 32.700 0.05 1 456 . 85 LYS N N 122.300 0.05 1 457 . 86 VAL H H 7.784 0.02 1 458 . 86 VAL HA H 3.763 0.02 1 459 . 86 VAL HB H 2.068 0.02 1 460 . 86 VAL HG1 H 0.911 0.02 2 461 . 86 VAL HG2 H 1.011 0.02 2 462 . 86 VAL C C 179.539 0.05 1 463 . 86 VAL CA C 66.025 0.05 1 464 . 86 VAL CB C 31.800 0.05 1 465 . 86 VAL CG1 C 20.959 0.05 1 466 . 86 VAL CG2 C 22.053 0.05 1 467 . 86 VAL N N 119.275 0.05 1 468 . 87 LYS H H 8.449 0.02 1 469 . 87 LYS HA H 4.098 0.02 1 470 . 87 LYS HB2 H 1.784 0.02 2 471 . 87 LYS HB3 H 1.886 0.02 2 472 . 87 LYS HG2 H 1.390 0.02 2 473 . 87 LYS HG3 H 1.582 0.02 2 474 . 87 LYS HE2 H 2.890 0.02 1 475 . 87 LYS HE3 H 2.890 0.02 1 476 . 87 LYS C C 180.298 0.05 1 477 . 87 LYS CA C 59.541 0.05 1 478 . 87 LYS CB C 32.330 0.05 1 479 . 87 LYS CG C 25.060 0.05 1 480 . 87 LYS CE C 41.741 0.05 1 481 . 87 LYS N N 121.103 0.05 1 482 . 88 GLY H H 8.318 0.02 1 483 . 88 GLY HA2 H 3.844 0.02 2 484 . 88 GLY HA3 H 4.210 0.02 2 485 . 88 GLY C C 175.746 0.05 1 486 . 88 GLY CA C 47.949 0.05 1 487 . 88 GLY N N 109.729 0.05 1 488 . 89 GLU H H 8.150 0.02 1 489 . 89 GLU HA H 4.047 0.02 1 490 . 89 GLU HB2 H 1.967 0.02 2 491 . 89 GLU HB3 H 2.078 0.02 2 492 . 89 GLU C C 179.852 0.05 1 493 . 89 GLU CA C 59.345 0.05 1 494 . 89 GLU CB C 28.794 0.05 1 495 . 89 GLU N N 121.306 0.05 1 496 . 90 ALA H H 8.252 0.02 1 497 . 90 ALA HA H 4.078 0.02 1 498 . 90 ALA HB H 1.449 0.02 1 499 . 90 ALA C C 179.140 0.05 1 500 . 90 ALA CA C 55.223 0.05 1 501 . 90 ALA CB C 17.646 0.05 1 502 . 90 ALA N N 123.541 0.05 1 503 . 91 PHE H H 8.049 0.02 1 504 . 91 PHE HA H 4.103 0.02 1 505 . 91 PHE HB2 H 3.239 0.02 2 506 . 91 PHE HB3 H 3.296 0.02 2 507 . 91 PHE CA C 61.604 0.05 1 508 . 91 PHE CB C 39.206 0.05 1 509 . 91 PHE N N 119.987 0.05 1 510 . 92 LEU H H 8.315 0.02 1 511 . 92 LEU HA H 3.641 0.02 1 512 . 92 LEU HB2 H 1.429 0.02 2 513 . 92 LEU HB3 H 1.926 0.02 2 514 . 92 LEU HG H 2.004 0.02 1 515 . 92 LEU HD1 H 0.896 0.02 2 516 . 92 LEU HD2 H 0.697 0.02 2 517 . 92 LEU C C 179.681 0.05 1 518 . 92 LEU CA C 57.892 0.05 1 519 . 92 LEU CB C 40.629 0.05 1 520 . 92 LEU CG C 26.975 0.05 1 521 . 92 LEU CD1 C 26.154 0.05 1 522 . 92 LEU CD2 C 21.232 0.05 1 523 . 92 LEU N N 121.300 0.05 1 524 . 93 THR H H 8.222 0.02 1 525 . 93 THR HA H 3.682 0.02 1 526 . 93 THR HB H 4.169 0.02 1 527 . 93 THR HG2 H 1.083 0.02 1 528 . 93 THR C C 175.527 0.05 1 529 . 93 THR CA C 66.807 0.05 1 530 . 93 THR CB C 68.440 0.05 1 531 . 93 THR CG2 C 21.506 0.05 1 532 . 93 THR N N 117.823 0.05 1 533 . 94 GLU H H 7.445 0.02 1 534 . 94 GLU HA H 3.936 0.02 1 535 . 94 GLU HB2 H 1.814 0.02 1 536 . 94 GLU HB3 H 1.814 0.02 1 537 . 94 GLU HG2 H 2.100 0.02 1 538 . 94 GLU HG3 H 2.100 0.02 1 539 . 94 GLU C C 179.192 0.05 1 540 . 94 GLU CA C 58.143 0.05 1 541 . 94 GLU CB C 29.036 0.05 1 542 . 94 GLU CG C 35.700 0.05 1 543 . 94 GLU N N 120.900 0.05 1 544 . 95 ASN H H 8.220 0.02 1 545 . 95 ASN HA H 3.753 0.02 1 546 . 95 ASN HB2 H 1.419 0.02 2 547 . 95 ASN HB3 H 2.484 0.02 2 548 . 95 ASN C C 176.171 0.05 1 549 . 95 ASN CA C 55.770 0.05 1 550 . 95 ASN CB C 37.770 0.05 1 551 . 95 ASN N N 118.960 0.05 1 552 . 96 LYS H H 6.920 0.02 1 553 . 96 LYS HA H 3.520 0.02 1 554 . 96 LYS HB2 H 1.561 0.02 2 555 . 96 LYS HB3 H 1.662 0.02 2 556 . 96 LYS HG2 H 1.240 0.02 2 557 . 96 LYS HG3 H 1.326 0.02 2 558 . 96 LYS HD2 H 1.512 0.02 1 559 . 96 LYS HD3 H 1.512 0.02 1 560 . 96 LYS HE2 H 2.829 0.02 1 561 . 96 LYS HE3 H 2.829 0.02 1 562 . 96 LYS C C 175.725 0.05 1 563 . 96 LYS CA C 58.160 0.05 1 564 . 96 LYS CB C 31.830 0.05 1 565 . 96 LYS CG C 23.420 0.05 1 566 . 96 LYS CD C 29.162 0.05 1 567 . 96 LYS CE C 41.741 0.05 1 568 . 96 LYS N N 112.210 0.05 1 569 . 97 ASN H H 6.990 0.02 1 570 . 97 ASN HA H 4.717 0.02 1 571 . 97 ASN HB2 H 2.505 0.02 2 572 . 97 ASN HB3 H 2.840 0.02 2 573 . 97 ASN C C 175.643 0.05 1 574 . 97 ASN CA C 52.550 0.05 1 575 . 97 ASN CB C 39.150 0.05 1 576 . 97 ASN N N 113.970 0.05 1 577 . 98 LYS H H 7.410 0.02 1 578 . 98 LYS CA C 54.650 0.05 1 579 . 98 LYS CB C 30.350 0.05 1 580 . 98 LYS N N 122.430 0.05 1 581 . 99 PRO HA H 4.149 0.02 1 582 . 99 PRO HB2 H 1.723 0.02 2 583 . 99 PRO HB3 H 2.149 0.02 2 584 . 99 PRO HG2 H 1.970 0.02 1 585 . 99 PRO HG3 H 1.970 0.02 1 586 . 99 PRO HD2 H 3.445 0.02 2 587 . 99 PRO HD3 H 3.717 0.02 2 588 . 99 PRO C C 178.176 0.05 1 589 . 99 PRO CA C 63.892 0.05 1 590 . 99 PRO CB C 31.478 0.05 1 591 . 99 PRO CG C 26.975 0.05 1 592 . 99 PRO CD C 49.944 0.05 1 593 . 100 GLY H H 8.680 0.02 1 594 . 100 GLY HA2 H 3.499 0.02 2 595 . 100 GLY HA3 H 3.956 0.02 2 596 . 100 GLY C C 173.297 0.05 1 597 . 100 GLY CA C 45.847 0.05 1 598 . 100 GLY N N 112.081 0.05 1 599 . 101 VAL H H 7.074 0.02 1 600 . 101 VAL HA H 3.956 0.02 1 601 . 101 VAL HB H 1.662 0.02 1 602 . 101 VAL HG1 H 0.353 0.02 2 603 . 101 VAL HG2 H 0.482 0.02 2 604 . 101 VAL C C 175.768 0.05 1 605 . 101 VAL CA C 63.606 0.05 1 606 . 101 VAL CB C 31.461 0.05 1 607 . 101 VAL CG1 C 21.506 0.05 1 608 . 101 VAL CG2 C 22.873 0.05 1 609 . 101 VAL N N 120.915 0.05 1 610 . 102 VAL H H 9.188 0.02 1 611 . 102 VAL HA H 3.730 0.02 1 612 . 102 VAL HB H 0.207 0.02 1 613 . 102 VAL HG1 H 0.356 0.02 2 614 . 102 VAL HG2 H 0.498 0.02 2 615 . 102 VAL C C 174.205 0.05 1 616 . 102 VAL CA C 61.374 0.05 1 617 . 102 VAL CB C 32.466 0.05 1 618 . 102 VAL CG1 C 20.412 0.05 1 619 . 102 VAL CG2 C 20.959 0.05 1 620 . 102 VAL N N 133.640 0.05 1 621 . 103 VAL H H 8.196 0.02 1 622 . 103 VAL HA H 4.362 0.02 1 623 . 103 VAL HB H 1.823 0.02 1 624 . 103 VAL HG1 H 0.757 0.02 2 625 . 103 VAL HG2 H 0.831 0.02 2 626 . 103 VAL C C 176.138 0.05 1 627 . 103 VAL CA C 61.164 0.05 1 628 . 103 VAL CB C 32.530 0.05 1 629 . 103 VAL CG1 C 21.232 0.05 1 630 . 103 VAL N N 124.781 0.05 1 631 . 104 LEU H H 8.915 0.02 1 632 . 104 LEU CA C 53.196 0.05 1 633 . 104 LEU CB C 40.373 0.05 1 634 . 104 LEU N N 130.040 0.05 1 635 . 105 PRO HA H 4.183 0.02 1 636 . 105 PRO HB2 H 1.835 0.02 2 637 . 105 PRO HB3 H 2.288 0.02 2 638 . 105 PRO HG2 H 1.944 0.02 2 639 . 105 PRO HG3 H 2.073 0.02 2 640 . 105 PRO HD2 H 3.790 0.02 2 641 . 105 PRO HD3 H 3.848 0.02 2 642 . 105 PRO C C 177.492 0.05 1 643 . 105 PRO CA C 65.412 0.05 1 644 . 105 PRO CB C 31.331 0.05 1 645 . 105 PRO CG C 26.975 0.05 1 646 . 105 PRO CD C 50.217 0.05 1 647 . 106 SER H H 8.366 0.02 1 648 . 106 SER HA H 4.076 0.02 1 649 . 106 SER HB2 H 3.885 0.02 1 650 . 106 SER HB3 H 3.885 0.02 1 651 . 106 SER C C 175.512 0.05 1 652 . 106 SER CA C 58.810 0.05 1 653 . 106 SER CB C 62.890 0.05 1 654 . 106 SER N N 112.164 0.05 1 655 . 107 GLY H H 8.269 0.02 1 656 . 107 GLY HA2 H 3.396 0.02 2 657 . 107 GLY HA3 H 4.398 0.02 2 658 . 107 GLY C C 173.543 0.05 1 659 . 107 GLY CA C 44.090 0.05 1 660 . 107 GLY N N 111.027 0.05 1 661 . 108 LEU H H 7.653 0.02 1 662 . 108 LEU HA H 4.070 0.02 1 663 . 108 LEU HB2 H 1.311 0.02 2 664 . 108 LEU HB3 H 1.692 0.02 2 665 . 108 LEU HD1 H 1.115 0.02 2 666 . 108 LEU HD2 H 0.963 0.02 2 667 . 108 LEU C C 174.046 0.05 1 668 . 108 LEU CA C 56.310 0.05 1 669 . 108 LEU CB C 42.420 0.05 1 670 . 108 LEU CD1 C 25.334 0.05 1 671 . 108 LEU CD2 C 25.334 0.05 1 672 . 108 LEU N N 122.453 0.05 1 673 . 109 GLN H H 8.165 0.02 1 674 . 109 GLN HA H 5.899 0.02 1 675 . 109 GLN HB2 H 1.835 0.02 2 676 . 109 GLN HB3 H 2.158 0.02 2 677 . 109 GLN HG2 H 2.622 0.02 1 678 . 109 GLN HG3 H 2.622 0.02 1 679 . 109 GLN C C 176.268 0.05 1 680 . 109 GLN CA C 52.040 0.05 1 681 . 109 GLN CB C 30.890 0.05 1 682 . 109 GLN CG C 32.717 0.05 1 683 . 109 GLN N N 121.955 0.05 1 684 . 110 TYR H H 9.255 0.02 1 685 . 110 TYR HA H 5.828 0.02 1 686 . 110 TYR HB2 H 2.824 0.02 1 687 . 110 TYR HB3 H 2.824 0.02 1 688 . 110 TYR C C 171.401 0.05 1 689 . 110 TYR CA C 56.690 0.05 1 690 . 110 TYR CB C 43.150 0.05 1 691 . 110 TYR N N 117.911 0.05 1 692 . 111 LYS H H 9.432 0.02 1 693 . 111 LYS HA H 4.541 0.02 1 694 . 111 LYS HB2 H 1.609 0.02 2 695 . 111 LYS HB3 H 1.811 0.02 2 696 . 111 LYS HG2 H 1.170 0.02 2 697 . 111 LYS HG3 H 1.045 0.02 2 698 . 111 LYS HD2 H 1.522 0.02 1 699 . 111 LYS HD3 H 1.522 0.02 1 700 . 111 LYS HE2 H 2.844 0.02 2 701 . 111 LYS HE3 H 2.750 0.02 2 702 . 111 LYS C C 174.864 0.05 1 703 . 111 LYS CA C 54.980 0.05 1 704 . 111 LYS CB C 37.590 0.05 1 705 . 111 LYS CG C 25.060 0.05 1 706 . 111 LYS CD C 29.436 0.05 1 707 . 111 LYS N N 120.089 0.05 1 708 . 112 VAL H H 8.945 0.02 1 709 . 112 VAL HA H 3.420 0.02 1 710 . 112 VAL HB H 1.792 0.02 1 711 . 112 VAL HG1 H 0.309 0.02 2 712 . 112 VAL HG2 H 0.776 0.02 2 713 . 112 VAL C C 176.175 0.05 1 714 . 112 VAL CA C 64.140 0.05 1 715 . 112 VAL CB C 31.290 0.05 1 716 . 112 VAL CG1 C 20.138 0.05 1 717 . 112 VAL CG2 C 20.685 0.05 1 718 . 112 VAL N N 128.129 0.05 1 719 . 113 ILE H H 8.402 0.02 1 720 . 113 ILE HA H 4.106 0.02 1 721 . 113 ILE HB H 1.636 0.02 1 722 . 113 ILE HG12 H 1.225 0.02 1 723 . 113 ILE HG13 H 1.225 0.02 1 724 . 113 ILE HG2 H 0.804 0.02 1 725 . 113 ILE HD1 H 0.646 0.02 1 726 . 113 ILE C C 176.285 0.05 1 727 . 113 ILE CA C 62.320 0.05 1 728 . 113 ILE CB C 36.760 0.05 1 729 . 113 ILE CG1 C 26.975 0.05 1 730 . 113 ILE CG2 C 16.857 0.05 1 731 . 113 ILE CD1 C 11.662 0.05 1 732 . 113 ILE N N 130.070 0.05 1 733 . 114 ASN H H 8.630 0.02 1 734 . 114 ASN HA H 4.933 0.02 1 735 . 114 ASN HB2 H 2.642 0.02 2 736 . 114 ASN HB3 H 2.732 0.02 2 737 . 114 ASN C C 174.244 0.05 1 738 . 114 ASN CA C 53.290 0.05 1 739 . 114 ASN CB C 42.080 0.05 1 740 . 114 ASN N N 115.904 0.05 1 741 . 115 SER H H 8.997 0.02 1 742 . 115 SER HA H 4.793 0.02 1 743 . 115 SER HB2 H 3.807 0.02 2 744 . 115 SER HB3 H 3.877 0.02 2 745 . 115 SER C C 174.354 0.05 1 746 . 115 SER CA C 58.170 0.05 1 747 . 115 SER CB C 63.820 0.05 1 748 . 115 SER N N 121.634 0.05 1 749 . 116 GLY H H 8.049 0.02 1 750 . 116 GLY HA2 H 3.409 0.02 2 751 . 116 GLY HA3 H 4.305 0.02 2 752 . 116 GLY C C 172.617 0.05 1 753 . 116 GLY CA C 43.430 0.05 1 754 . 116 GLY N N 112.794 0.05 1 755 . 117 ASN H H 8.365 0.02 1 756 . 117 ASN HA H 4.903 0.02 1 757 . 117 ASN HB2 H 2.732 0.02 1 758 . 117 ASN HB3 H 2.732 0.02 1 759 . 117 ASN C C 175.913 0.05 1 760 . 117 ASN CA C 52.260 0.05 1 761 . 117 ASN CB C 39.470 0.05 1 762 . 117 ASN N N 115.552 0.05 1 763 . 118 GLY H H 8.118 0.02 1 764 . 118 GLY HA2 H 3.678 0.02 2 765 . 118 GLY HA3 H 4.305 0.02 2 766 . 118 GLY C C 172.209 0.05 1 767 . 118 GLY CA C 44.330 0.05 1 768 . 118 GLY N N 108.941 0.05 1 769 . 119 VAL H H 7.920 0.02 1 770 . 119 VAL HA H 3.947 0.02 1 771 . 119 VAL HB H 1.945 0.02 1 772 . 119 VAL HG1 H 0.788 0.02 2 773 . 119 VAL HG2 H 0.750 0.02 2 774 . 119 VAL C C 175.395 0.05 1 775 . 119 VAL CA C 61.590 0.05 1 776 . 119 VAL CB C 32.290 0.05 1 777 . 119 VAL CG1 C 21.432 0.05 1 778 . 119 VAL CG2 C 20.065 0.05 1 779 . 119 VAL N N 115.870 0.05 1 780 . 120 LYS H H 7.973 0.02 1 781 . 120 LYS CA C 53.030 0.05 1 782 . 120 LYS CB C 31.990 0.05 1 783 . 120 LYS N N 122.667 0.05 1 784 . 121 PRO HA H 4.345 0.02 1 785 . 121 PRO HB2 H 1.706 0.02 1 786 . 121 PRO HB3 H 1.706 0.02 1 787 . 121 PRO C C 176.744 0.05 1 788 . 121 PRO CA C 62.256 0.05 1 789 . 121 PRO CB C 32.322 0.05 1 790 . 122 GLY H H 9.316 0.02 1 791 . 122 GLY HA2 H 3.548 0.02 2 792 . 122 GLY HA3 H 4.345 0.02 2 793 . 122 GLY C C 175.249 0.05 1 794 . 122 GLY CA C 43.100 0.05 1 795 . 122 GLY N N 110.014 0.05 1 796 . 123 LYS H H 8.055 0.02 1 797 . 123 LYS HA H 3.533 0.02 1 798 . 123 LYS HB2 H 1.609 0.02 1 799 . 123 LYS HB3 H 1.609 0.02 1 800 . 123 LYS HG2 H 1.188 0.02 2 801 . 123 LYS HG3 H 1.234 0.02 2 802 . 123 LYS HD2 H 1.515 0.02 1 803 . 123 LYS HD3 H 1.515 0.02 1 804 . 123 LYS HE2 H 2.823 0.02 1 805 . 123 LYS HE3 H 2.823 0.02 1 806 . 123 LYS C C 176.410 0.05 1 807 . 123 LYS CA C 59.290 0.05 1 808 . 123 LYS CB C 32.150 0.05 1 809 . 123 LYS CG C 25.260 0.05 1 810 . 123 LYS CD C 29.362 0.05 1 811 . 123 LYS CE C 41.667 0.05 1 812 . 123 LYS N N 117.361 0.05 1 813 . 124 SER H H 8.165 0.02 1 814 . 124 SER HA H 4.638 0.02 1 815 . 124 SER HB2 H 3.819 0.02 1 816 . 124 SER HB3 H 3.819 0.02 1 817 . 124 SER C C 174.861 0.05 1 818 . 124 SER CA C 57.310 0.05 1 819 . 124 SER CB C 63.530 0.05 1 820 . 124 SER N N 110.247 0.05 1 821 . 125 ASP H H 7.170 0.02 1 822 . 125 ASP HA H 4.714 0.02 1 823 . 125 ASP HB2 H 2.562 0.02 1 824 . 125 ASP HB3 H 2.562 0.02 1 825 . 125 ASP C C 174.719 0.05 1 826 . 125 ASP CA C 55.070 0.05 1 827 . 125 ASP CB C 41.850 0.05 1 828 . 125 ASP N N 122.676 0.05 1 829 . 126 THR H H 8.361 0.02 1 830 . 126 THR HA H 4.952 0.02 1 831 . 126 THR HB H 3.790 0.02 1 832 . 126 THR HG2 H 0.918 0.02 1 833 . 126 THR C C 173.870 0.05 1 834 . 126 THR CA C 62.260 0.05 1 835 . 126 THR CB C 70.640 0.05 1 836 . 126 THR CG2 C 21.706 0.05 1 837 . 126 THR N N 116.428 0.05 1 838 . 127 VAL H H 9.170 0.02 1 839 . 127 VAL HA H 5.076 0.02 1 840 . 127 VAL HB H 1.857 0.02 1 841 . 127 VAL HG1 H 0.552 0.02 2 842 . 127 VAL HG2 H 0.667 0.02 2 843 . 127 VAL C C 173.883 0.05 1 844 . 127 VAL CA C 58.150 0.05 1 845 . 127 VAL CB C 34.370 0.05 1 846 . 127 VAL CG1 C 18.546 0.05 1 847 . 127 VAL CG2 C 23.346 0.05 1 848 . 127 VAL N N 118.690 0.05 1 849 . 128 THR H H 8.058 0.02 1 850 . 128 THR HA H 5.267 0.02 1 851 . 128 THR HB H 3.733 0.02 1 852 . 128 THR HG2 H 0.897 0.02 1 853 . 128 THR C C 174.986 0.05 1 854 . 128 THR CA C 61.537 0.05 1 855 . 128 THR CB C 69.878 0.05 1 856 . 128 THR CG2 C 21.979 0.05 1 857 . 128 THR N N 117.631 0.05 1 858 . 129 VAL H H 9.492 0.02 1 859 . 129 VAL HA H 5.324 0.02 1 860 . 129 VAL HB H 2.038 0.02 1 861 . 129 VAL HG1 H 0.646 0.02 2 862 . 129 VAL HG2 H 0.950 0.02 2 863 . 129 VAL C C 174.809 0.05 1 864 . 129 VAL CA C 58.425 0.05 1 865 . 129 VAL CB C 36.016 0.05 1 866 . 129 VAL CG1 C 22.253 0.05 1 867 . 129 VAL CG2 C 20.612 0.05 1 868 . 129 VAL N N 119.268 0.05 1 869 . 130 GLU H H 8.575 0.02 1 870 . 130 GLU HA H 4.924 0.02 1 871 . 130 GLU HB2 H 1.952 0.02 1 872 . 130 GLU HB3 H 1.952 0.02 1 873 . 130 GLU HG2 H 2.175 0.02 2 874 . 130 GLU HG3 H 2.085 0.02 2 875 . 130 GLU C C 175.828 0.05 1 876 . 130 GLU CA C 54.690 0.05 1 877 . 130 GLU CB C 32.530 0.05 1 878 . 130 GLU CG C 36.272 0.05 1 879 . 130 GLU N N 119.969 0.05 1 880 . 131 TYR H H 8.744 0.02 1 881 . 131 TYR HA H 5.924 0.02 1 882 . 131 TYR HB2 H 2.857 0.02 2 883 . 131 TYR HB3 H 2.990 0.02 2 884 . 131 TYR C C 173.356 0.05 1 885 . 131 TYR CA C 57.055 0.05 1 886 . 131 TYR CB C 42.490 0.05 1 887 . 131 TYR N N 120.106 0.05 1 888 . 132 THR H H 8.558 0.02 1 889 . 132 THR HA H 4.562 0.02 1 890 . 132 THR HB H 3.876 0.02 1 891 . 132 THR HG2 H 1.138 0.02 1 892 . 132 THR C C 173.559 0.05 1 893 . 132 THR CA C 62.824 0.05 1 894 . 132 THR CB C 72.625 0.05 1 895 . 132 THR CG2 C 23.070 0.05 1 896 . 132 THR N N 114.602 0.05 1 897 . 133 GLY H H 9.301 0.02 1 898 . 133 GLY HA2 H 2.409 0.02 2 899 . 133 GLY HA3 H 4.610 0.02 2 900 . 133 GLY C C 170.451 0.05 1 901 . 133 GLY CA C 45.493 0.05 1 902 . 133 GLY N N 116.951 0.05 1 903 . 134 ARG H H 9.450 0.02 1 904 . 134 ARG HA H 5.395 0.02 1 905 . 134 ARG HB2 H 1.311 0.02 1 906 . 134 ARG HB3 H 1.311 0.02 1 907 . 134 ARG HG2 H 1.364 0.02 2 908 . 134 ARG HG3 H 1.208 0.02 2 909 . 134 ARG HD2 H 2.955 0.02 2 910 . 134 ARG HD3 H 2.771 0.02 2 911 . 134 ARG C C 174.647 0.05 1 912 . 134 ARG CA C 53.549 0.05 1 913 . 134 ARG CB C 34.982 0.05 1 914 . 134 ARG CG C 27.248 0.05 1 915 . 134 ARG CD C 43.655 0.05 1 916 . 134 ARG N N 125.333 0.05 1 917 . 135 LEU H H 8.356 0.02 1 918 . 135 LEU HA H 5.840 0.02 1 919 . 135 LEU HB2 H 2.814 0.02 1 920 . 135 LEU HB3 H 2.814 0.02 1 921 . 135 LEU C C 180.219 0.05 1 922 . 135 LEU CA C 52.861 0.05 1 923 . 135 LEU CB C 41.662 0.05 1 924 . 135 LEU N N 118.647 0.05 1 925 . 136 ILE H H 9.379 0.02 1 926 . 136 ILE HA H 3.247 0.02 1 927 . 136 ILE HB H 1.460 0.02 1 928 . 136 ILE HG12 H 0.668 0.02 1 929 . 136 ILE HG13 H 0.668 0.02 1 930 . 136 ILE HG2 H 0.413 0.02 1 931 . 136 ILE HD1 H 0.413 0.02 1 932 . 136 ILE C C 177.268 0.05 1 933 . 136 ILE CA C 65.239 0.05 1 934 . 136 ILE CG1 C 14.670 0.05 1 935 . 136 ILE CG2 C 16.857 0.05 1 936 . 136 ILE CD1 C 16.857 0.05 1 937 . 136 ILE N N 120.087 0.05 1 938 . 137 ASP H H 7.500 0.02 1 939 . 137 ASP HA H 4.352 0.02 1 940 . 137 ASP HB2 H 2.466 0.02 2 941 . 137 ASP HB3 H 2.971 0.02 2 942 . 137 ASP C C 177.025 0.05 1 943 . 137 ASP CA C 53.600 0.05 1 944 . 137 ASP CB C 39.760 0.05 1 945 . 137 ASP N N 116.973 0.05 1 946 . 138 GLY H H 7.967 0.02 1 947 . 138 GLY HA2 H 3.428 0.02 2 948 . 138 GLY HA3 H 4.362 0.02 2 949 . 138 GLY C C 174.681 0.05 1 950 . 138 GLY CA C 44.730 0.05 1 951 . 138 GLY N N 109.045 0.05 1 952 . 139 THR H H 8.129 0.02 1 953 . 139 THR HA H 3.943 0.02 1 954 . 139 THR HB H 3.733 0.02 1 955 . 139 THR HG2 H 1.024 0.02 1 956 . 139 THR C C 174.193 0.05 1 957 . 139 THR CA C 64.670 0.05 1 958 . 139 THR CB C 69.040 0.05 1 959 . 139 THR CG2 C 20.158 0.05 1 960 . 139 THR N N 119.327 0.05 1 961 . 140 VAL H H 8.788 0.02 1 962 . 140 VAL HA H 4.200 0.02 1 963 . 140 VAL HB H 1.876 0.02 1 964 . 140 VAL HG1 H 0.853 0.02 2 965 . 140 VAL HG2 H 0.754 0.02 2 966 . 140 VAL C C 176.502 0.05 1 967 . 140 VAL CA C 62.570 0.05 1 968 . 140 VAL CB C 31.970 0.05 1 969 . 140 VAL N N 130.269 0.05 1 970 . 141 PHE H H 8.106 0.02 1 971 . 141 PHE HA H 4.952 0.02 1 972 . 141 PHE HB2 H 2.371 0.02 2 973 . 141 PHE HB3 H 3.305 0.02 2 974 . 141 PHE C C 174.604 0.05 1 975 . 141 PHE CA C 55.910 0.05 1 976 . 141 PHE CB C 40.540 0.05 1 977 . 141 PHE N N 124.369 0.05 1 978 . 142 ASP H H 6.853 0.02 1 979 . 142 ASP HA H 4.800 0.02 1 980 . 142 ASP HB2 H 2.371 0.02 2 981 . 142 ASP HB3 H 3.200 0.02 2 982 . 142 ASP C C 174.200 0.05 1 983 . 142 ASP CA C 54.690 0.05 1 984 . 142 ASP CB C 43.840 0.05 1 985 . 142 ASP N N 120.796 0.05 1 986 . 143 SER H H 8.175 0.02 1 987 . 143 SER HA H 4.743 0.02 1 988 . 143 SER HB2 H 3.543 0.02 2 989 . 143 SER HB3 H 4.095 0.02 2 990 . 143 SER C C 175.243 0.05 1 991 . 143 SER CA C 56.840 0.05 1 992 . 143 SER CB C 64.320 0.05 1 993 . 143 SER N N 117.366 0.05 1 994 . 144 THR H H 8.633 0.02 1 995 . 144 THR HA H 4.533 0.02 1 996 . 144 THR HB H 4.314 0.02 1 997 . 144 THR HG2 H 1.237 0.02 1 998 . 144 THR C C 176.797 0.05 1 999 . 144 THR CA C 63.610 0.05 1 1000 . 144 THR CB C 68.370 0.05 1 1001 . 144 THR CG2 C 23.693 0.05 1 1002 . 144 THR N N 117.770 0.05 1 1003 . 145 GLU H H 8.438 0.02 1 1004 . 145 GLU HA H 3.914 0.02 1 1005 . 145 GLU HB2 H 1.762 0.02 2 1006 . 145 GLU HB3 H 1.866 0.02 2 1007 . 145 GLU C C 178.137 0.05 1 1008 . 145 GLU CA C 58.570 0.05 1 1009 . 145 GLU CB C 29.190 0.05 1 1010 . 145 GLU N N 123.077 0.05 1 1011 . 146 LYS H H 7.450 0.02 1 1012 . 146 LYS HA H 4.019 0.02 1 1013 . 146 LYS HB2 H 1.838 0.02 1 1014 . 146 LYS HB3 H 1.838 0.02 1 1015 . 146 LYS HG2 H 1.358 0.02 1 1016 . 146 LYS HG3 H 1.358 0.02 1 1017 . 146 LYS HD2 H 1.620 0.02 1 1018 . 146 LYS HD3 H 1.620 0.02 1 1019 . 146 LYS HE2 H 2.908 0.02 1 1020 . 146 LYS HE3 H 2.908 0.02 1 1021 . 146 LYS C C 178.013 0.05 1 1022 . 146 LYS CA C 58.559 0.05 1 1023 . 146 LYS CB C 31.800 0.05 1 1024 . 146 LYS CG C 24.600 0.05 1 1025 . 146 LYS CD C 28.268 0.05 1 1026 . 146 LYS N N 117.739 0.05 1 1027 . 147 THR H H 7.508 0.02 1 1028 . 147 THR HA H 4.248 0.02 1 1029 . 147 THR HB H 4.248 0.02 1 1030 . 147 THR HG2 H 1.194 0.02 1 1031 . 147 THR C C 176.531 0.05 1 1032 . 147 THR CA C 62.292 0.05 1 1033 . 147 THR CB C 69.954 0.05 1 1034 . 147 THR CG2 C 21.779 0.05 1 1035 . 147 THR N N 107.917 0.05 1 1036 . 148 GLY H H 8.013 0.02 1 1037 . 148 GLY HA2 H 3.676 0.02 2 1038 . 148 GLY HA3 H 4.009 0.02 2 1039 . 148 GLY C C 173.441 0.05 1 1040 . 148 GLY CA C 45.788 0.05 1 1041 . 148 GLY N N 110.421 0.05 1 1042 . 149 LYS H H 7.624 0.02 1 1043 . 149 LYS CA C 53.254 0.05 1 1044 . 149 LYS CB C 33.607 0.05 1 1045 . 149 LYS N N 119.977 0.05 1 1046 . 150 PRO HA H 4.405 0.02 1 1047 . 150 PRO HB2 H 1.556 0.02 2 1048 . 150 PRO HB3 H 1.866 0.02 2 1049 . 150 PRO HG2 H 1.726 0.02 1 1050 . 150 PRO HG3 H 1.726 0.02 1 1051 . 150 PRO HD2 H 3.725 0.02 2 1052 . 150 PRO HD3 H 3.438 0.02 2 1053 . 150 PRO C C 175.292 0.05 1 1054 . 150 PRO CA C 62.527 0.05 1 1055 . 150 PRO CB C 32.413 0.05 1 1056 . 150 PRO CG C 26.428 0.05 1 1057 . 150 PRO CD C 49.944 0.05 1 1058 . 151 ALA H H 8.843 0.02 1 1059 . 151 ALA HA H 4.672 0.02 1 1060 . 151 ALA HB H 1.427 0.02 1 1061 . 151 ALA C C 175.821 0.05 1 1062 . 151 ALA CA C 50.760 0.05 1 1063 . 151 ALA CB C 22.760 0.05 1 1064 . 151 ALA N N 125.249 0.05 1 1065 . 152 THR H H 8.098 0.02 1 1066 . 152 THR HA H 5.465 0.02 1 1067 . 152 THR HB H 3.612 0.02 1 1068 . 152 THR HG2 H 0.885 0.02 1 1069 . 152 THR C C 173.939 0.05 1 1070 . 152 THR CA C 60.760 0.05 1 1071 . 152 THR CB C 70.890 0.05 1 1072 . 152 THR CG2 C 21.980 0.05 1 1073 . 152 THR N N 116.875 0.05 1 1074 . 153 PHE H H 8.610 0.02 1 1075 . 153 PHE HA H 4.844 0.02 1 1076 . 153 PHE HB2 H 2.359 0.02 2 1077 . 153 PHE HB3 H 3.023 0.02 2 1078 . 153 PHE C C 174.281 0.05 1 1079 . 153 PHE CA C 55.940 0.05 1 1080 . 153 PHE CB C 42.870 0.05 1 1081 . 153 PHE N N 121.621 0.05 1 1082 . 154 GLN H H 8.951 0.02 1 1083 . 154 GLN HA H 4.844 0.02 1 1084 . 154 GLN HB2 H 1.738 0.02 2 1085 . 154 GLN HB3 H 1.995 0.02 2 1086 . 154 GLN HG2 H 2.245 0.02 1 1087 . 154 GLN HG3 H 2.245 0.02 1 1088 . 154 GLN C C 177.774 0.05 1 1089 . 154 GLN CA C 55.670 0.05 1 1090 . 154 GLN CB C 29.120 0.05 1 1091 . 154 GLN CG C 34.084 0.05 1 1092 . 154 GLN N N 121.892 0.05 1 1093 . 155 VAL H H 8.411 0.02 1 1094 . 155 VAL HA H 3.923 0.02 1 1095 . 155 VAL HB H 1.749 0.02 1 1096 . 155 VAL HG1 H 0.470 0.02 2 1097 . 155 VAL HG2 H 0.330 0.02 2 1098 . 155 VAL C C 175.175 0.05 1 1099 . 155 VAL CA C 66.950 0.05 1 1100 . 155 VAL CB C 31.550 0.05 1 1101 . 155 VAL CG1 C 23.146 0.05 1 1102 . 155 VAL CG2 C 19.865 0.05 1 1103 . 155 VAL N N 126.494 0.05 1 1104 . 156 SER H H 7.904 0.02 1 1105 . 156 SER HA H 4.223 0.02 1 1106 . 156 SER HB2 H 3.848 0.02 2 1107 . 156 SER HB3 H 3.976 0.02 2 1108 . 156 SER C C 175.185 0.05 1 1109 . 156 SER CA C 59.230 0.05 1 1110 . 156 SER CB C 63.010 0.05 1 1111 . 156 SER N N 110.550 0.05 1 1112 . 157 GLN H H 7.810 0.02 1 1113 . 157 GLN HA H 4.448 0.02 1 1114 . 157 GLN HB2 H 1.931 0.02 2 1115 . 157 GLN HB3 H 2.295 0.02 2 1116 . 157 GLN C C 175.378 0.05 1 1117 . 157 GLN CA C 55.410 0.05 1 1118 . 157 GLN CB C 29.170 0.05 1 1119 . 157 GLN N N 120.272 0.05 1 1120 . 158 VAL H H 6.452 0.02 1 1121 . 158 VAL HA H 4.158 0.02 1 1122 . 158 VAL HB H 1.577 0.02 1 1123 . 158 VAL HG1 H 0.114 0.02 2 1124 . 158 VAL HG2 H 0.697 0.02 2 1125 . 158 VAL C C 174.446 0.05 1 1126 . 158 VAL CA C 59.340 0.05 1 1127 . 158 VAL CB C 33.600 0.05 1 1128 . 158 VAL CG1 C 22.326 0.05 1 1129 . 158 VAL CG2 C 18.771 0.05 1 1130 . 158 VAL N N 111.874 0.05 1 1131 . 159 ILE H H 7.077 0.02 1 1132 . 159 ILE CA C 60.710 0.05 1 1133 . 159 ILE CB C 35.870 0.05 1 1134 . 159 ILE N N 110.988 0.05 1 1135 . 160 PRO HA H 4.244 0.02 1 1136 . 160 PRO HB2 H 2.348 0.02 1 1137 . 160 PRO HB3 H 2.348 0.02 1 1138 . 160 PRO HG2 H 1.961 0.02 2 1139 . 160 PRO HG3 H 2.075 0.02 2 1140 . 160 PRO C C 180.249 0.05 1 1141 . 160 PRO CA C 66.211 0.05 1 1142 . 160 PRO CB C 31.841 0.05 1 1143 . 160 PRO CG C 27.248 0.05 1 1144 . 161 GLY H H 9.463 0.02 1 1145 . 161 GLY HA2 H 3.484 0.02 2 1146 . 161 GLY HA3 H 3.976 0.02 2 1147 . 161 GLY C C 174.983 0.05 1 1148 . 161 GLY CA C 47.655 0.05 1 1149 . 161 GLY N N 103.400 0.05 1 1150 . 162 TRP H H 7.639 0.02 1 1151 . 162 TRP HA H 3.987 0.02 1 1152 . 162 TRP HB2 H 2.734 0.02 2 1153 . 162 TRP HB3 H 3.077 0.02 2 1154 . 162 TRP C C 177.013 0.05 1 1155 . 162 TRP CA C 60.610 0.05 1 1156 . 162 TRP CB C 28.550 0.05 1 1157 . 162 TRP N N 118.991 0.05 1 1158 . 163 THR H H 8.262 0.02 1 1159 . 163 THR HA H 3.891 0.02 1 1160 . 163 THR HB H 3.559 0.02 1 1161 . 163 THR HG2 H 0.998 0.02 1 1162 . 163 THR C C 175.956 0.05 1 1163 . 163 THR CA C 67.350 0.05 1 1164 . 163 THR CB C 68.990 0.05 1 1165 . 163 THR CG2 C 22.530 0.05 1 1166 . 163 THR N N 118.518 0.05 1 1167 . 164 GLU H H 7.865 0.02 1 1168 . 164 GLU HA H 3.762 0.02 1 1169 . 164 GLU HB2 H 1.845 0.02 1 1170 . 164 GLU HB3 H 1.845 0.02 1 1171 . 164 GLU HG2 H 1.780 0.02 2 1172 . 164 GLU HG3 H 2.141 0.02 2 1173 . 164 GLU C C 177.961 0.05 1 1174 . 164 GLU CA C 59.200 0.05 1 1175 . 164 GLU CB C 29.140 0.05 1 1176 . 164 GLU CG C 35.930 0.05 1 1177 . 164 GLU N N 118.747 0.05 1 1178 . 165 ALA H H 7.381 0.02 1 1179 . 165 ALA HA H 3.623 0.02 1 1180 . 165 ALA HB H 1.200 0.02 1 1181 . 165 ALA C C 179.230 0.05 1 1182 . 165 ALA CA C 55.300 0.05 1 1183 . 165 ALA CB C 18.720 0.05 1 1184 . 165 ALA N N 118.902 0.05 1 1185 . 166 LEU H H 8.751 0.02 1 1186 . 166 LEU HA H 3.473 0.02 1 1187 . 166 LEU HB2 H 0.817 0.02 2 1188 . 166 LEU HB3 H 1.674 0.02 2 1189 . 166 LEU HG H 1.470 0.02 1 1190 . 166 LEU HD1 H 0.711 0.02 2 1191 . 166 LEU HD2 H 0.506 0.02 2 1192 . 166 LEU C C 178.003 0.05 1 1193 . 166 LEU CA C 57.850 0.05 1 1194 . 166 LEU CB C 41.720 0.05 1 1195 . 166 LEU CG C 27.722 0.05 1 1196 . 166 LEU CD1 C 26.628 0.05 1 1197 . 166 LEU CD2 C 26.354 0.05 1 1198 . 166 LEU N N 113.902 0.05 1 1199 . 167 GLN H H 6.242 0.02 1 1200 . 167 GLN HA H 4.212 0.02 1 1201 . 167 GLN HB2 H 1.641 0.02 2 1202 . 167 GLN HB3 H 2.177 0.02 2 1203 . 167 GLN C C 176.326 0.05 1 1204 . 167 GLN CA C 57.478 0.05 1 1205 . 167 GLN CB C 31.446 0.05 1 1206 . 167 GLN N N 109.071 0.05 1 1207 . 168 LEU H H 7.274 0.02 1 1208 . 168 LEU HA H 4.137 0.02 1 1209 . 168 LEU HB2 H 1.556 0.02 2 1210 . 168 LEU HB3 H 1.856 0.02 2 1211 . 168 LEU HG H 1.674 0.02 1 1212 . 168 LEU HD1 H 0.853 0.02 2 1213 . 168 LEU HD2 H 0.752 0.02 2 1214 . 168 LEU C C 176.116 0.05 1 1215 . 168 LEU CA C 54.138 0.05 1 1216 . 168 LEU CB C 43.529 0.05 1 1217 . 168 LEU CD1 C 25.607 0.05 1 1218 . 168 LEU CD2 C 21.779 0.05 1 1219 . 168 LEU N N 117.430 0.05 1 1220 . 169 MET H H 6.862 0.02 1 1221 . 169 MET CA C 54.138 0.05 1 1222 . 169 MET CB C 34.884 0.05 1 1223 . 169 MET N N 121.289 0.05 1 1224 . 170 PRO HA H 3.751 0.02 1 1225 . 170 PRO HB2 H 1.160 0.02 2 1226 . 170 PRO HB3 H 2.295 0.02 2 1227 . 170 PRO HG2 H 1.649 0.02 2 1228 . 170 PRO HG3 H 1.961 0.02 2 1229 . 170 PRO C C 180.556 0.05 1 1230 . 170 PRO CA C 61.583 0.05 1 1231 . 170 PRO CB C 32.142 0.05 1 1232 . 170 PRO CG C 27.521 0.05 1 1233 . 171 ALA H H 8.565 0.02 1 1234 . 171 ALA HA H 3.484 0.02 1 1235 . 171 ALA HB H 1.192 0.02 1 1236 . 171 ALA C C 176.340 0.05 1 1237 . 171 ALA CA C 54.728 0.05 1 1238 . 171 ALA CB C 17.005 0.05 1 1239 . 171 ALA N N 129.479 0.05 1 1240 . 172 GLY H H 8.348 0.02 1 1241 . 172 GLY HA2 H 3.880 0.02 2 1242 . 172 GLY HA3 H 4.555 0.02 2 1243 . 172 GLY C C 175.685 0.05 1 1244 . 172 GLY CA C 45.300 0.05 1 1245 . 172 GLY N N 110.052 0.05 1 1246 . 173 SER H H 7.764 0.02 1 1247 . 173 SER HA H 4.597 0.02 1 1248 . 173 SER HB2 H 3.398 0.02 2 1249 . 173 SER HB3 H 4.008 0.02 2 1250 . 173 SER C C 173.389 0.05 1 1251 . 173 SER CA C 59.230 0.05 1 1252 . 173 SER CB C 64.520 0.05 1 1253 . 173 SER N N 116.790 0.05 1 1254 . 174 THR H H 9.316 0.02 1 1255 . 174 THR HA H 5.669 0.02 1 1256 . 174 THR HB H 3.880 0.02 1 1257 . 174 THR HG2 H 0.924 0.02 1 1258 . 174 THR C C 173.508 0.05 1 1259 . 174 THR CA C 62.250 0.05 1 1260 . 174 THR CB C 69.980 0.05 1 1261 . 174 THR CG2 C 20.412 0.05 1 1262 . 174 THR N N 119.011 0.05 1 1263 . 175 TRP H H 9.211 0.02 1 1264 . 175 TRP HA H 5.529 0.02 1 1265 . 175 TRP HB2 H 2.852 0.02 2 1266 . 175 TRP HB3 H 3.130 0.02 2 1267 . 175 TRP C C 174.393 0.05 1 1268 . 175 TRP CA C 54.350 0.05 1 1269 . 175 TRP CB C 34.360 0.05 1 1270 . 175 TRP N N 129.527 0.05 1 1271 . 176 GLU H H 9.309 0.02 1 1272 . 176 GLU HA H 5.411 0.02 1 1273 . 176 GLU HB2 H 1.631 0.02 2 1274 . 176 GLU HB3 H 1.984 0.02 2 1275 . 176 GLU HG2 H 1.541 0.02 2 1276 . 176 GLU HG3 H 1.813 0.02 2 1277 . 176 GLU C C 174.433 0.05 1 1278 . 176 GLU CA C 55.808 0.05 1 1279 . 176 GLU CB C 32.770 0.05 1 1280 . 176 GLU CG C 37.910 0.05 1 1281 . 176 GLU N N 123.137 0.05 1 1282 . 177 ILE H H 9.300 0.02 1 1283 . 177 ILE HA H 5.133 0.02 1 1284 . 177 ILE HB H 1.802 0.02 1 1285 . 177 ILE HG12 H 1.541 0.02 1 1286 . 177 ILE HG13 H 1.541 0.02 1 1287 . 177 ILE HG2 H 0.925 0.02 1 1288 . 177 ILE HD1 H 0.396 0.02 1 1289 . 177 ILE C C 172.986 0.05 1 1290 . 177 ILE CA C 59.093 0.05 1 1291 . 177 ILE CB C 40.851 0.05 1 1292 . 177 ILE CG1 C 26.701 0.05 1 1293 . 177 ILE CG2 C 17.404 0.05 1 1294 . 177 ILE CD1 C 13.849 0.05 1 1295 . 177 ILE N N 119.212 0.05 1 1296 . 178 TYR H H 9.034 0.02 1 1297 . 178 TYR HA H 5.004 0.02 1 1298 . 178 TYR HB2 H 2.648 0.02 2 1299 . 178 TYR HB3 H 3.066 0.02 2 1300 . 178 TYR C C 174.317 0.05 1 1301 . 178 TYR CA C 55.808 0.05 1 1302 . 178 TYR CB C 37.939 0.05 1 1303 . 178 TYR N N 124.949 0.05 1 1304 . 179 VAL H H 9.696 0.02 1 1305 . 179 VAL CA C 60.032 0.05 1 1306 . 179 VAL CB C 33.705 0.05 1 1307 . 179 VAL N N 124.155 0.05 1 1308 . 180 PRO HA H 4.544 0.02 1 1309 . 180 PRO HB2 H 1.834 0.02 2 1310 . 180 PRO HB3 H 2.390 0.02 2 1311 . 180 PRO HG2 H 1.913 0.02 1 1312 . 180 PRO HG3 H 1.913 0.02 1 1313 . 180 PRO HD2 H 3.602 0.02 2 1314 . 180 PRO HD3 H 4.440 0.02 2 1315 . 180 PRO C C 178.387 0.05 1 1316 . 180 PRO CA C 62.141 0.05 1 1317 . 180 PRO CB C 32.172 0.05 1 1318 . 180 PRO CG C 27.248 0.05 1 1319 . 180 PRO CD C 51.311 0.05 1 1320 . 181 SER H H 8.405 0.02 1 1321 . 181 SER C C 178.575 0.05 1 1322 . 181 SER CA C 62.082 0.05 1 1323 . 181 SER CB C 61.266 0.05 1 1324 . 181 SER N N 118.973 0.05 1 1325 . 182 GLY H H 8.824 0.02 1 1326 . 182 GLY HA2 H 3.816 0.02 1 1327 . 182 GLY HA3 H 3.816 0.02 1 1328 . 182 GLY C C 175.243 0.05 1 1329 . 182 GLY CA C 46.412 0.05 1 1330 . 182 GLY N N 111.060 0.05 1 1331 . 183 LEU H H 7.892 0.02 1 1332 . 183 LEU HA H 4.448 0.02 1 1333 . 183 LEU HB2 H 1.417 0.02 2 1334 . 183 LEU HB3 H 1.567 0.02 2 1335 . 183 LEU HD1 H 0.825 0.02 2 1336 . 183 LEU C C 174.454 0.05 1 1337 . 183 LEU CA C 53.647 0.05 1 1338 . 183 LEU CB C 42.055 0.05 1 1339 . 183 LEU N N 119.591 0.05 1 1340 . 184 ALA H H 7.688 0.02 1 1341 . 184 ALA C C 175.365 0.05 1 1342 . 184 ALA CA C 50.995 0.05 1 1343 . 184 ALA CB C 18.577 0.05 1 1344 . 184 ALA N N 126.460 0.05 1 1345 . 185 TYR H H 9.140 0.02 1 1346 . 185 TYR HA H 4.470 0.02 1 1347 . 185 TYR HB2 H 2.743 0.02 2 1348 . 185 TYR HB3 H 3.044 0.02 2 1349 . 185 TYR C C 176.391 0.05 1 1350 . 185 TYR CA C 58.657 0.05 1 1351 . 185 TYR CB C 38.028 0.05 1 1352 . 185 TYR N N 122.530 0.05 1 1353 . 186 GLY H H 8.339 0.02 1 1354 . 186 GLY CA C 45.170 0.05 1 1355 . 186 GLY N N 110.340 0.05 1 1356 . 187 PRO HA H 4.298 0.02 1 1357 . 187 PRO HB2 H 2.016 0.02 2 1358 . 187 PRO HB3 H 2.156 0.02 2 1359 . 187 PRO HD2 H 3.703 0.02 2 1360 . 187 PRO HD3 H 3.559 0.02 2 1361 . 187 PRO C C 175.103 0.05 1 1362 . 187 PRO CA C 63.691 0.05 1 1363 . 187 PRO CB C 30.565 0.05 1 1364 . 187 PRO CD C 49.944 0.05 1 1365 . 188 ARG H H 7.470 0.02 1 1366 . 188 ARG HA H 4.158 0.02 1 1367 . 188 ARG HB2 H 1.706 0.02 1 1368 . 188 ARG HB3 H 1.706 0.02 1 1369 . 188 ARG HG2 H 1.541 0.02 2 1370 . 188 ARG HG3 H 1.431 0.02 2 1371 . 188 ARG HD2 H 3.101 0.02 1 1372 . 188 ARG HD3 H 3.101 0.02 1 1373 . 188 ARG C C 174.807 0.05 1 1374 . 188 ARG CA C 55.710 0.05 1 1375 . 188 ARG CB C 31.642 0.05 1 1376 . 188 ARG CG C 26.701 0.05 1 1377 . 188 ARG CD C 43.108 0.05 1 1378 . 188 ARG N N 120.235 0.05 1 1379 . 189 SER H H 8.091 0.02 1 1380 . 189 SER HA H 4.244 0.02 1 1381 . 189 SER HB2 H 3.591 0.02 2 1382 . 189 SER HB3 H 3.655 0.02 2 1383 . 189 SER C C 174.965 0.05 1 1384 . 189 SER CA C 57.202 0.05 1 1385 . 189 SER CB C 63.431 0.05 1 1386 . 189 SER N N 116.225 0.05 1 1387 . 190 VAL H H 7.521 0.02 1 1388 . 190 VAL HA H 3.955 0.02 1 1389 . 190 VAL HB H 1.743 0.02 1 1390 . 190 VAL HG1 H 0.467 0.02 2 1391 . 190 VAL HG2 H 0.339 0.02 2 1392 . 190 VAL C C 175.856 0.05 1 1393 . 190 VAL CA C 62.390 0.05 1 1394 . 190 VAL CB C 32.232 0.05 1 1395 . 190 VAL CG1 C 20.412 0.05 1 1396 . 190 VAL CG2 C 19.592 0.05 1 1397 . 190 VAL N N 121.987 0.05 1 1398 . 191 GLY H H 7.826 0.02 1 1399 . 191 GLY HA2 H 3.682 0.02 2 1400 . 191 GLY HA3 H 4.229 0.02 2 1401 . 191 GLY C C 174.181 0.05 1 1402 . 191 GLY CA C 44.511 0.05 1 1403 . 191 GLY N N 110.386 0.05 1 1404 . 192 GLY H H 8.380 0.02 1 1405 . 192 GLY CA C 44.708 0.05 1 1406 . 192 GLY N N 110.751 0.05 1 1407 . 193 PRO HA H 4.330 0.02 1 1408 . 193 PRO HB2 H 1.781 0.02 2 1409 . 193 PRO HB3 H 2.188 0.02 2 1410 . 193 PRO HG2 H 1.743 0.02 1 1411 . 193 PRO HG3 H 1.743 0.02 1 1412 . 193 PRO HD2 H 3.703 0.02 1 1413 . 193 PRO HD3 H 3.703 0.02 1 1414 . 193 PRO C C 175.610 0.05 1 1415 . 193 PRO CA C 63.708 0.05 1 1416 . 193 PRO CB C 32.270 0.05 1 1417 . 193 PRO CG C 26.154 0.05 1 1418 . 193 PRO CD C 49.944 0.05 1 1419 . 194 ILE H H 7.143 0.02 1 1420 . 194 ILE HA H 3.630 0.02 1 1421 . 194 ILE HB H 1.481 0.02 1 1422 . 194 ILE HG12 H 0.081 0.02 1 1423 . 194 ILE HG13 H 0.911 0.02 1 1424 . 194 ILE HG2 H 0.682 0.02 1 1425 . 194 ILE HD1 H -0.062 0.02 1 1426 . 194 ILE C C 175.923 0.05 1 1427 . 194 ILE CA C 61.604 0.05 1 1428 . 194 ILE CB C 37.438 0.05 1 1429 . 194 ILE CG1 C 26.701 0.05 1 1430 . 194 ILE CG2 C 17.951 0.05 1 1431 . 194 ILE CD1 C 12.208 0.05 1 1432 . 194 ILE N N 117.990 0.05 1 1433 . 195 GLY H H 8.995 0.02 1 1434 . 195 GLY CA C 44.020 0.05 1 1435 . 195 GLY N N 119.167 0.05 1 1436 . 196 PRO HA H 4.128 0.02 1 1437 . 196 PRO HB2 H 2.017 0.02 2 1438 . 196 PRO HB3 H 1.520 0.02 2 1439 . 196 PRO HG2 H 1.770 0.02 2 1440 . 196 PRO HD2 H 3.316 0.02 2 1441 . 196 PRO HD3 H 3.431 0.02 2 1442 . 196 PRO C C 176.669 0.05 1 1443 . 196 PRO CA C 62.435 0.05 1 1444 . 196 PRO CB C 32.270 0.05 1 1445 . 196 PRO CG C 26.428 0.05 1 1446 . 196 PRO CD C 48.850 0.05 1 1447 . 197 ASN H H 8.468 0.02 1 1448 . 197 ASN HA H 3.947 0.02 1 1449 . 197 ASN HB2 H 2.689 0.02 2 1450 . 197 ASN HB3 H 2.991 0.02 2 1451 . 197 ASN C C 173.615 0.05 1 1452 . 197 ASN CA C 53.843 0.05 1 1453 . 197 ASN CB C 36.652 0.05 1 1454 . 197 ASN N N 115.890 0.05 1 1455 . 198 GLU H H 8.017 0.02 1 1456 . 198 GLU HA H 4.370 0.02 1 1457 . 198 GLU HB2 H 1.800 0.02 1 1458 . 198 GLU HB3 H 1.800 0.02 1 1459 . 198 GLU HG2 H 1.803 0.02 2 1460 . 198 GLU HG3 H 1.956 0.02 2 1461 . 198 GLU C C 176.686 0.05 1 1462 . 198 GLU CA C 56.692 0.05 1 1463 . 198 GLU CB C 30.562 0.05 1 1464 . 198 GLU CG C 35.725 0.05 1 1465 . 198 GLU N N 119.785 0.05 1 1466 . 199 THR H H 8.742 0.02 1 1467 . 199 THR HA H 4.448 0.02 1 1468 . 199 THR HB H 3.933 0.02 1 1469 . 199 THR HG2 H 0.983 0.02 1 1470 . 199 THR C C 173.282 0.05 1 1471 . 199 THR CA C 64.256 0.05 1 1472 . 199 THR CB C 69.757 0.05 1 1473 . 199 THR CG2 C 20.139 0.05 1 1474 . 199 THR N N 126.954 0.05 1 1475 . 200 LEU H H 8.205 0.02 1 1476 . 200 LEU HA H 4.897 0.02 1 1477 . 200 LEU HB2 H 1.138 0.02 2 1478 . 200 LEU HB3 H 1.577 0.02 2 1479 . 200 LEU HG H 1.684 0.02 1 1480 . 200 LEU HD1 H 0.983 0.02 2 1481 . 200 LEU HD2 H 0.424 0.02 2 1482 . 200 LEU C C 177.959 0.05 1 1483 . 200 LEU CA C 53.160 0.05 1 1484 . 200 LEU CB C 46.590 0.05 1 1485 . 200 LEU CG C 26.428 0.05 1 1486 . 200 LEU CD1 C 26.428 0.05 1 1487 . 200 LEU CD2 C 22.600 0.05 1 1488 . 200 LEU N N 124.122 0.05 1 1489 . 201 ILE H H 8.420 0.02 1 1490 . 201 ILE HA H 4.994 0.02 1 1491 . 201 ILE HB H 1.406 0.02 1 1492 . 201 ILE HG12 H 0.940 0.02 1 1493 . 201 ILE HG13 H 1.269 0.02 1 1494 . 201 ILE HG2 H 0.596 0.02 1 1495 . 201 ILE HD1 H 0.453 0.02 1 1496 . 201 ILE C C 175.687 0.05 1 1497 . 201 ILE CA C 60.330 0.05 1 1498 . 201 ILE CB C 40.100 0.05 1 1499 . 201 ILE CG1 C 28.068 0.05 1 1500 . 201 ILE CG2 C 17.404 0.05 1 1501 . 201 ILE CD1 C 14.943 0.05 1 1502 . 201 ILE N N 121.386 0.05 1 1503 . 202 PHE H H 9.129 0.02 1 1504 . 202 PHE HA H 5.872 0.02 1 1505 . 202 PHE HB2 H 2.615 0.02 2 1506 . 202 PHE HB3 H 2.672 0.02 2 1507 . 202 PHE C C 174.630 0.05 1 1508 . 202 PHE CA C 55.200 0.05 1 1509 . 202 PHE CB C 42.670 0.05 1 1510 . 202 PHE N N 120.919 0.05 1 1511 . 203 LYS H H 8.715 0.02 1 1512 . 203 LYS HA H 5.058 0.02 1 1513 . 203 LYS HB2 H 1.652 0.02 2 1514 . 203 LYS HB3 H 1.759 0.02 2 1515 . 203 LYS HG2 H 1.555 0.02 1 1516 . 203 LYS HG3 H 1.555 0.02 1 1517 . 203 LYS HD2 H 1.140 0.02 1 1518 . 203 LYS HD3 H 1.140 0.02 1 1519 . 203 LYS HE2 H 2.715 0.02 1 1520 . 203 LYS HE3 H 2.715 0.02 1 1521 . 203 LYS C C 175.869 0.05 1 1522 . 203 LYS CA C 56.110 0.05 1 1523 . 203 LYS CB C 33.500 0.05 1 1524 . 203 LYS CG C 29.162 0.05 1 1525 . 203 LYS CD C 25.334 0.05 1 1526 . 203 LYS CE C 41.467 0.05 1 1527 . 203 LYS N N 124.670 0.05 1 1528 . 204 ILE H H 9.189 0.02 1 1529 . 204 ILE HA H 4.597 0.02 1 1530 . 204 ILE HB H 1.181 0.02 1 1531 . 204 ILE HG12 H 0.195 0.02 1 1532 . 204 ILE HG13 H 1.070 0.02 1 1533 . 204 ILE HG2 H 0.281 0.02 1 1534 . 204 ILE HD1 H -0.749 0.02 1 1535 . 204 ILE C C 173.216 0.05 1 1536 . 204 ILE CA C 60.300 0.05 1 1537 . 204 ILE CB C 41.660 0.05 1 1538 . 204 ILE CG1 C 26.701 0.05 1 1539 . 204 ILE CG2 C 15.763 0.05 1 1540 . 204 ILE CD1 C 11.388 0.05 1 1541 . 204 ILE N N 125.396 0.05 1 1542 . 205 HIS H H 9.288 0.02 1 1543 . 205 HIS HA H 5.679 0.02 1 1544 . 205 HIS HB2 H 2.927 0.02 2 1545 . 205 HIS HB3 H 3.184 0.02 2 1546 . 205 HIS C C 173.699 0.05 1 1547 . 205 HIS CA C 51.740 0.05 1 1548 . 205 HIS CB C 30.760 0.05 1 1549 . 205 HIS N N 126.644 0.05 1 1550 . 206 LEU H H 8.536 0.02 1 1551 . 206 LEU HA H 4.255 0.02 1 1552 . 206 LEU HB2 H 0.849 0.02 2 1553 . 206 LEU HB3 H 1.652 0.02 2 1554 . 206 LEU HG H 0.968 0.02 1 1555 . 206 LEU HD1 H 0.639 0.02 2 1556 . 206 LEU HD2 H 0.482 0.02 2 1557 . 206 LEU C C 173.930 0.05 1 1558 . 206 LEU CA C 54.360 0.05 1 1559 . 206 LEU CB C 41.810 0.05 1 1560 . 206 LEU CG C 28.068 0.05 1 1561 . 206 LEU CD1 C 24.240 0.05 1 1562 . 206 LEU CD2 C 26.154 0.05 1 1563 . 206 LEU N N 129.939 0.05 1 1564 . 207 ILE H H 8.608 0.02 1 1565 . 207 ILE HA H 3.441 0.02 1 1566 . 207 ILE HB H 1.299 0.02 1 1567 . 207 ILE HG12 H 0.233 0.02 1 1568 . 207 ILE HG2 H 0.611 0.02 1 1569 . 207 ILE HD1 H 0.439 0.02 1 1570 . 207 ILE C C 176.319 0.05 1 1571 . 207 ILE CA C 63.650 0.05 1 1572 . 207 ILE CB C 38.240 0.05 1 1573 . 207 ILE CG1 C 27.248 0.05 1 1574 . 207 ILE CG2 C 16.584 0.05 1 1575 . 207 ILE CD1 C 13.302 0.05 1 1576 . 207 ILE N N 130.204 0.05 1 1577 . 208 SER H H 7.409 0.02 1 1578 . 208 SER HA H 4.501 0.02 1 1579 . 208 SER HB2 H 3.612 0.02 1 1580 . 208 SER HB3 H 3.612 0.02 1 1581 . 208 SER C C 171.049 0.05 1 1582 . 208 SER CA C 56.950 0.05 1 1583 . 208 SER CB C 65.240 0.05 1 1584 . 208 SER N N 109.413 0.05 1 1585 . 209 VAL H H 8.305 0.02 1 1586 . 209 VAL HA H 4.362 0.02 1 1587 . 209 VAL HB H 1.556 0.02 1 1588 . 209 VAL HG1 H 0.611 0.02 2 1589 . 209 VAL HG2 H 0.670 0.02 2 1590 . 209 VAL C C 174.279 0.05 1 1591 . 209 VAL CA C 60.940 0.05 1 1592 . 209 VAL CB C 34.730 0.05 1 1593 . 209 VAL CG1 C 21.506 0.05 1 1594 . 209 VAL CG2 C 21.506 0.05 1 1595 . 209 VAL N N 120.844 0.05 1 1596 . 210 LYS H H 9.029 0.02 1 1597 . 210 LYS HA H 4.458 0.02 1 1598 . 210 LYS HB2 H 1.438 0.02 2 1599 . 210 LYS HB3 H 1.588 0.02 2 1600 . 210 LYS HG2 H 1.212 0.02 2 1601 . 210 LYS HG3 H 1.155 0.02 2 1602 . 210 LYS HE2 H 2.801 0.02 1 1603 . 210 LYS HE3 H 2.801 0.02 1 1604 . 210 LYS C C 175.140 0.05 1 1605 . 210 LYS CA C 54.850 0.05 1 1606 . 210 LYS CB C 33.920 0.05 1 1607 . 210 LYS CE C 41.741 0.05 1 1608 . 210 LYS N N 129.657 0.05 1 1609 . 211 LYS H H 8.550 0.02 1 1610 . 211 LYS HA H 4.265 0.02 1 1611 . 211 LYS HB2 H 1.588 0.02 2 1612 . 211 LYS HB3 H 1.716 0.02 2 1613 . 211 LYS HG2 H 1.355 0.02 1 1614 . 211 LYS HG3 H 1.355 0.02 1 1615 . 211 LYS HE2 H 2.887 0.02 1 1616 . 211 LYS HE3 H 2.887 0.02 1 1617 . 211 LYS C C 177.358 0.05 1 1618 . 211 LYS CA C 55.820 0.05 1 1619 . 211 LYS CB C 32.370 0.05 1 1620 . 211 LYS CG C 24.514 0.05 1 1621 . 211 LYS CE C 41.467 0.05 1 1622 . 211 LYS N N 127.342 0.05 1 1623 . 212 SER H H 8.657 0.02 1 1624 . 212 SER HA H 4.330 0.02 1 1625 . 212 SER HB2 H 3.805 0.02 1 1626 . 212 SER HB3 H 3.805 0.02 1 1627 . 212 SER C C 173.779 0.05 1 1628 . 212 SER CA C 58.590 0.05 1 1629 . 212 SER CB C 63.680 0.05 1 1630 . 212 SER N N 119.607 0.05 1 1631 . 213 SER H H 7.880 0.02 1 1632 . 213 SER CA C 60.020 0.05 1 1633 . 213 SER CB C 64.710 0.05 1 1634 . 213 SER N N 123.510 0.05 1 stop_ save_ save_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units ms _Mol_system_component_name 'LpMip is a homodimer' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 THR N 796.23 17.23 2 3 ASP N 725.35 68.83 3 4 ALA N 670.63 16.04 4 5 THR N 678.99 29.39 5 6 SER N 631.48 29.59 6 7 LEU N 698.25 36.36 7 8 ALA N 647.56 15.42 8 9 THR N 1051.58 65.52 9 10 ASP N 780.59 42.39 10 11 LYS N 889.53 18.61 11 12 ASP N 726.31 21.24 12 13 LYS N 795.54 13.65 13 14 LEU N 797.27 9.8 14 15 SER N 818.46 19.13 15 16 TYR N 761.68 16.66 16 17 SER N 752.85 15.87 17 36 GLU N 879.18 27.16 18 37 ALA N 879.03 25.91 19 38 MET N 818.89 16.67 20 39 ALA N 838.69 15.67 21 40 LYS N 870.3 27.03 22 41 GLY N 850.48 20.58 23 42 MET N 782.67 10.3 24 43 GLN N 958.8 22.96 25 44 ASP N 879.46 24.44 26 45 ALA N 834.21 22.79 27 48 GLY N 779.51 32.19 28 49 ALA N 850.09 29.57 29 50 GLN N 969.5 71.35 30 51 LEU N 910.79 42.38 31 52 ALA N 821.26 19.12 32 53 LEU N 963.47 44.46 33 54 THR N 880.88 40.43 34 55 GLU N 823.42 25.94 35 56 GLN N 819.05 29.38 36 70 MET N 793.67 13.01 37 71 ALA N 1001.3 25.79 38 74 THR N 806.15 23.18 39 77 PHE N 649.6 19.17 40 78 ASN N 720.87 17.59 41 81 ALA N 645.99 15.26 42 82 ASP N 577.18 15.62 43 83 GLU N 626.48 24.74 44 84 ASN N 582.18 16.47 45 85 LYS N 625.78 8.67 46 86 VAL N 795.18 16 47 87 LYS N 718.25 16.53 48 88 GLY N 628.15 10.92 49 90 ALA N 765.7 12.3 50 91 PHE N 1175.89 407.43 51 92 LEU N 662.32 7.37 52 93 THR N 737.26 23.95 53 94 GLU N 680.29 19.09 54 95 ASN N 713.06 16.03 55 96 LYS N 734.31 20.36 56 97 ASN N 752.25 28.53 57 98 LYS N 722 15.05 58 100 GLY N 680.34 49 59 101 VAL N 732.76 31.11 60 102 VAL N 698.05 13.54 61 103 VAL N 730.98 24.72 62 104 LEU N 684.12 12.04 63 106 SER N 748.62 41.05 64 107 GLY N 676.74 19.28 65 108 LEU N 630 12.75 66 109 GLN N 644.55 11.75 67 110 TYR N 689.8 9.92 68 111 LYS N 670.97 12.71 69 112 VAL N 711.45 9.71 70 113 ILE N 1031.69 164.31 71 114 ASN N 722.05 14.99 72 115 SER N 621.31 46.21 73 116 GLY N 812.58 44.33 74 117 ASN N 678.24 43.51 75 118 GLY N 715.25 33.49 76 119 VAL N 754.39 47.18 77 120 LYS N 757.37 38.27 78 122 GLY N 748.79 20.3 79 123 LYS N 735.16 28.16 80 124 SER N 613.78 25.45 81 125 ASP N 692.53 20.83 82 126 THR N 771.57 31.07 83 127 VAL N 740.1 19.21 84 128 THR N 729.37 24.11 85 129 VAL N 665.62 18.8 86 130 GLU N 680.08 19.19 87 131 TYR N 661.16 10.73 88 132 THR N 675.2 12.72 89 133 GLY N 666.01 18.74 90 134 ARG N 648.18 17.6 91 135 LEU N 672.25 24.02 92 136 ILE N 646.45 20.59 93 137 ASP N 645.1 5.61 94 138 GLY N 656.05 15.51 95 139 THR N 731.04 42.66 96 140 VAL N 724.54 27.09 97 141 PHE N 826.03 101.63 98 142 ASP N 697.44 14.65 99 143 SER N 633.57 34.35 100 144 THR N 647.1 13.71 101 145 GLU N 614.4 32.74 102 146 LYS N 624.22 21.85 103 147 THR N 622.34 39.61 104 148 GLY N 686.65 25.81 105 149 LYS N 714.84 17.02 106 151 ALA N 696.47 18.26 107 152 THR N 748.01 40.36 108 153 PHE N 708.17 14.77 109 154 GLN N 749.36 33.83 110 155 VAL N 752.37 22.8 111 156 SER N 656.15 41.16 112 157 GLN N 752.97 30.27 113 158 VAL N 858.22 50.57 114 159 ILE N 705.34 10.21 115 161 GLY N 724.33 37.11 116 162 TRP N 775.95 47.02 117 163 THR N 748.97 26.92 118 164 GLU N 725.97 26.54 119 165 ALA N 728.83 18.22 120 166 LEU N 746.3 13.78 121 167 GLN N 751.64 22.83 122 168 LEU N 717.82 13.18 123 169 MET N 709.44 22.69 124 171 ALA N 708.97 17.36 125 172 GLY N 613.65 17.52 126 173 SER N 667.38 14.95 127 174 THR N 692.3 11.8 128 175 TRP N 673.86 16.57 129 176 GLU N 711.36 18.39 130 177 ILE N 692.3 11.8 131 178 TYR N 715.8 12.87 132 179 VAL N 687.26 14.93 133 182 GLY N 609.26 9.13 134 183 LEU N 681.46 12.65 135 184 ALA N 739.03 31.26 136 185 TYR N 564.78 7.83 137 186 GLY N 697.61 24.33 138 188 ARG N 784.05 75.5 139 189 SER N 571.98 29.85 140 190 VAL N 620.88 17.08 141 191 GLY N 902.18 21.03 142 192 GLY N 540.63 48.75 143 194 ILE N 704.75 11.11 144 195 GLY N 649.21 15.21 145 197 ASN N 640.63 18.09 146 198 GLU N 625.03 9.91 147 199 THR N 651.83 19.31 148 200 LEU N 787.06 42.06 149 201 ILE N 681.13 19.75 150 202 PHE N 694.36 28.92 151 203 LYS N 700.09 15.12 152 204 ILE N 677.22 15.14 153 205 HIS N 683.27 17.29 154 206 LEU N 625.47 19.04 155 207 ILE N 705.87 18.35 156 208 SER N 731.61 23.22 157 209 VAL N 732.92 25.9 158 210 LYS N 762.64 32.34 159 211 LYS N 629.09 29.7 160 212 SER N 606.74 57.32 161 213 SER N 732.69 93.65 stop_ save_ save_heteronucl_NOE_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'LpMip is a homodimer' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0.0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 THR 0.709 0.85 3 ASP -0.218 0.104 4 ALA -0.049 0.036 5 THR 0.146 0.076 6 SER 0.306 0.196 7 LEU 0.359 0.35 8 ALA 0.746 0.577 9 THR 0.644 0.653 10 ASP 0.727 1.123 11 LYS 0.709 1.596 12 ASP 0.908 1.551 13 LYS 0.729 0.962 14 LEU 0.747 2.587 15 SER 0.894 1.896 16 TYR 0.756 1.207 17 SER 0.748 1.571 36 GLU 0.797 1.026 37 ALA 0.816 1.138 38 MET 0.864 1.511 39 ALA 0.77 0.844 40 LYS 0.814 1.007 41 GLY 0.856 1.291 42 MET 0.83 1.283 43 GLN 0.666 1.215 44 ASP 0.85 1.445 45 ALA 0.768 0.738 48 GLY 0.707 0.707 49 ALA 0.769 0.685 50 GLN 0.787 0.497 51 LEU 0.663 0.698 52 ALA 0.741 0.899 53 LEU 0.786 1.201 54 THR 0.754 1.013 55 GLU 0.818 1.01 56 GLN 0.731 0.773 70 MET 0.718 1.33 71 ALA -0.355 0.917 74 THR 0.546 1.926 75 ALA -8.396 239.203 76 GLU -1.321 2.364 77 PHE 0.551 1.511 78 ASN 0.434 0.607 81 ALA 0.573 0.775 82 ASP 0.71 1.013 83 GLU 0.614 0.631 84 ASN 0.817 0.844 85 LYS 1.054 4.199 86 VAL 0.846 7.407 87 LYS 0.827 0.5 88 GLY 0.705 0.65 90 ALA -0.374 1.016 91 PHE -0.427 0.266 92 LEU 0.836 0.55 93 THR 0.777 0.494 94 GLU 0.611 0.58 95 ASN 0.726 0.353 96 LYS 0.784 0.628 97 ASN 0.735 0.432 98 LYS 0.777 0.397 100 GLY 0.776 0.397 101 VAL 0.848 0.487 102 VAL 0.492 4.532 103 VAL 0.821 0.445 104 LEU 0.830 0.488 106 SER 0.857 0.504 107 GLY 0.808 0.427 108 LEU 0.7895 0.343 109 GLN 0.856 0.49 110 TYR 0.806 0.412 111 LYS 0.827 0.46 112 VAL 0.723 0.419 113 ILE 0.598 0.393 114 ASN 0.815 0.461 115 SER 0.798 0.553 116 GLY 0.692 0.361 117 ASN 0.768 0.517 118 GLY 0.723 0.346 119 VAL 0.743 0.389 120 LYS 0.772 0.371 122 GLY 0.824 0.481 123 LYS 0.771 0.443 124 SER 0.777 0.4 125 ASP 0.794 0.436 126 THR 0.858 0.504 127 VAL 0.790 0.47 128 THR 0.763 0.515 129 VAL 0.796 0.498 130 GLU 0.825 0.482 131 TYR 0.808 0.415 132 THR 0.824 0.486 133 GLY 0.773 0.54 134 ARG 0.815 0.546 135 LEU 0.846 0.491 136 ILE 0.798 1.472 137 ASP 0.835 0.755 138 GLY 0.772 0.448 139 THR 0.798 0.398 140 VAL 0.797 0.531 141 PHE 0.757 0.514 142 ASP 0.843 0.582 143 SER 0.822 0.396 144 THR 0.756 0.474 145 GLU 0.692 0.327 146 LYS 0.576 0.323 147 THR 0.559 0.336 148 GLY 0.493 0.218 149 LYS 0.660 0.571 151 ALA 0.790 0.401 152 THR 0.849 0.45 153 PHE 0.829 0.52 154 GLN 0.759 0.377 155 VAL 0.828 0.599 156 SER 0.716 0.393 157 GLN 0.814 0.409 158 VAL 0.722 0.36 159 ILE 0.799 0.815 161 GLY 0.478 6.902 162 TRP 0.776 0.53 163 THR 0.837 0.55 164 GLU 0.842 0.54 165 ALA 0.862 0.648 166 LEU 0.833 0.721 167 GLN 0.813 0.654 168 LEU 0.835 0.525 169 MET 0.859 0.588 171 ALA 0.839 0.524 172 GLY 0.778 0.71 173 SER 0.843 0.498 174 THR 0.839 0.399 175 TRP 0.773 0.509 176 GLU 0.823 0.521 177 ILE 0.839 0.399 178 TYR 0.788 0.651 179 VAL 0.875 0.936 182 GLY 0.883 0.752 183 LEU 0.792 0.492 184 ALA 0.863 0.773 185 TYR 0.938 2.247 186 GLY 0.763 0.496 188 ARG 0.495 0.186 189 SER 0.529 0.341 190 VAL 0.568 0.402 191 GLY 0.671 0.742 192 GLY 0.566 0.37 194 ILE 0.660 0.626 195 GLY 0.766 1.24 197 ASN 0.825 0.581 198 GLU 0.772 0.819 199 THR 0.787 1.24 200 LEU 0.619 0.269 201 ILE 0.785 0.717 202 PHE 0.782 0.593 203 LYS 0.801 0.477 204 ILE 0.739 0.529 205 HIS 0.850 0.578 206 LEU 0.873 0.547 207 ILE 0.828 0.725 208 SER 0.852 0.456 209 VAL 0.777 0.347 210 LYS 0.830 0.404 211 LYS 0.686 0.295 212 SER 0.434 0.139 213 SER -0.068 0.014 stop_ save_