data_34347 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assessment of a large enzyme-drug complex by proton-detected solid-state NMR without deuteration ; _BMRB_accession_number 34347 _BMRB_flat_file_name bmr34347.str _Entry_type original _Submission_date 2019-01-07 _Accession_date 2019-01-07 _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 Vasa S. K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1118 "13C chemical shifts" 934 "15N chemical shifts" 237 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-12-06 original BMRB . stop_ _Original_release_date 2019-09-25 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Assessment of a Large Enzyme-Drug Complex by Proton-Detected Solid-State NMR Spectroscopy without Deuteration. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30688395 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vasa S. K. . 2 Singh H. . . 3 Grohe K. . . 4 Linser R. . . stop_ _Journal_abbreviation 'Angew. Chem. Int. Ed. Engl.' _Journal_volume 58 _Journal_issue 17 _Journal_ASTM ACIEAY _Journal_ISSN 1521-3773 _Journal_CSD 0179 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5758 _Page_last 5762 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PROTEIN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_ZN entity_3 $entity_AZM stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 29289.062 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 260 _Mol_residue_sequence ; MSHHWGYGKHNGPEHWHKDF PIAKGERQSPVDIDTHTAKY DPSLKPLSVSYDQATSLRIL NNGHAFNVEFDDSQDKAVLK GGPLDGTYRLIQFHFHWGSL DGQGSEHTVDKKKYAAELHL VHWNTKYGDFGKAVQQPDGL AVLGIFLKVGSAKPGLQKVV DVLDSIKTKGKSADFTNFDP RGLLPESLDYWTYPGSLTTP PLLECVTWIVLKEPISVSSE QVLKFRKLNFNGEGEPEELM VDNWRPAQPLKNRQIKASFK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 HIS 4 HIS 5 TRP 6 GLY 7 TYR 8 GLY 9 LYS 10 HIS 11 ASN 12 GLY 13 PRO 14 GLU 15 HIS 16 TRP 17 HIS 18 LYS 19 ASP 20 PHE 21 PRO 22 ILE 23 ALA 24 LYS 25 GLY 26 GLU 27 ARG 28 GLN 29 SER 30 PRO 31 VAL 32 ASP 33 ILE 34 ASP 35 THR 36 HIS 37 THR 38 ALA 39 LYS 40 TYR 41 ASP 42 PRO 43 SER 44 LEU 45 LYS 46 PRO 47 LEU 48 SER 49 VAL 50 SER 51 TYR 52 ASP 53 GLN 54 ALA 55 THR 56 SER 57 LEU 58 ARG 59 ILE 60 LEU 61 ASN 62 ASN 63 GLY 64 HIS 65 ALA 66 PHE 67 ASN 68 VAL 69 GLU 70 PHE 71 ASP 72 ASP 73 SER 74 GLN 75 ASP 76 LYS 77 ALA 78 VAL 79 LEU 80 LYS 81 GLY 82 GLY 83 PRO 84 LEU 85 ASP 86 GLY 87 THR 88 TYR 89 ARG 90 LEU 91 ILE 92 GLN 93 PHE 94 HIS 95 PHE 96 HIS 97 TRP 98 GLY 99 SER 100 LEU 101 ASP 102 GLY 103 GLN 104 GLY 105 SER 106 GLU 107 HIS 108 THR 109 VAL 110 ASP 111 LYS 112 LYS 113 LYS 114 TYR 115 ALA 116 ALA 117 GLU 118 LEU 119 HIS 120 LEU 121 VAL 122 HIS 123 TRP 124 ASN 125 THR 126 LYS 127 TYR 128 GLY 129 ASP 130 PHE 131 GLY 132 LYS 133 ALA 134 VAL 135 GLN 136 GLN 137 PRO 138 ASP 139 GLY 140 LEU 141 ALA 142 VAL 143 LEU 144 GLY 145 ILE 146 PHE 147 LEU 148 LYS 149 VAL 150 GLY 151 SER 152 ALA 153 LYS 154 PRO 155 GLY 156 LEU 157 GLN 158 LYS 159 VAL 160 VAL 161 ASP 162 VAL 163 LEU 164 ASP 165 SER 166 ILE 167 LYS 168 THR 169 LYS 170 GLY 171 LYS 172 SER 173 ALA 174 ASP 175 PHE 176 THR 177 ASN 178 PHE 179 ASP 180 PRO 181 ARG 182 GLY 183 LEU 184 LEU 185 PRO 186 GLU 187 SER 188 LEU 189 ASP 190 TYR 191 TRP 192 THR 193 TYR 194 PRO 195 GLY 196 SER 197 LEU 198 THR 199 THR 200 PRO 201 PRO 202 LEU 203 LEU 204 GLU 205 CYS 206 VAL 207 THR 208 TRP 209 ILE 210 VAL 211 LEU 212 LYS 213 GLU 214 PRO 215 ILE 216 SER 217 VAL 218 SER 219 SER 220 GLU 221 GLN 222 VAL 223 LEU 224 LYS 225 PHE 226 ARG 227 LYS 228 LEU 229 ASN 230 PHE 231 ASN 232 GLY 233 GLU 234 GLY 235 GLU 236 PRO 237 GLU 238 GLU 239 LEU 240 MET 241 VAL 242 ASP 243 ASN 244 TRP 245 ARG 246 PRO 247 ALA 248 GLN 249 PRO 250 LEU 251 LYS 252 ASN 253 ARG 254 GLN 255 ILE 256 LYS 257 ALA 258 SER 259 PHE 260 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_AZM _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_AZM (5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE)" _BMRB_code AZM _PDB_code AZM _Molecular_mass 222.245 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? N1 N1 N . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? N4 N4 N . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? O3 O3 O . 0 . ? S1 S1 S . 0 . ? S2 S2 S . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H43 H43 H . 0 . ? HN11 HN11 H . 0 . ? HN12 HN12 H . 0 . ? HN4 HN4 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 N3 ? ? SING C1 S1 ? ? SING C1 S2 ? ? DOUB C2 N2 ? ? SING C2 N4 ? ? SING C2 S2 ? ? SING C3 C4 ? ? SING C3 N4 ? ? DOUB C3 O3 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C4 H43 ? ? SING N1 S1 ? ? SING N1 HN11 ? ? SING N1 HN12 ? ? SING N2 N3 ? ? SING N4 HN4 ? ? DOUB O1 S1 ? ? DOUB O2 S1 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens CA2 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type 'polycrystalline powder' _Details '1 mM [U-99% 13C; U-99% 15N] hCAII, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name 'CcpNmr Analysis' _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HCCH-TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_RFDR_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N RFDR' _Sample_label $sample_1 save_ save_3D_1H-13C_RFDR_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C RFDR' _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' 50 . mM pH 7.5 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0 external direct . . . 1 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HCCH-TOCSY' '3D 1H-15N RFDR' '3D 1H-13C RFDR' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 4 HIS CA C 57.567 0.000 . 2 4 4 HIS CB C 38.826 0.000 . 3 5 5 TRP H H 7.433 0.029 . 4 5 5 TRP HA H 4.522 0.061 . 5 5 5 TRP C C 177.671 0.218 . 6 5 5 TRP CA C 53.052 0.191 . 7 5 5 TRP CB C 30.884 0.082 . 8 5 5 TRP N N 120.684 0.126 . 9 6 6 GLY H H 8.173 0.076 . 10 6 6 GLY HA2 H 3.240 0.000 . 11 6 6 GLY HA3 H 3.544 0.126 . 12 6 6 GLY C C 171.192 0.000 . 13 6 6 GLY CA C 45.581 0.224 . 14 6 6 GLY N N 110.120 0.107 . 15 7 7 TYR H H 8.522 0.080 . 16 7 7 TYR HA H 4.767 0.056 . 17 7 7 TYR HB2 H 3.314 0.000 . 18 7 7 TYR HB3 H 2.282 0.020 . 19 7 7 TYR C C 174.765 0.000 . 20 7 7 TYR CA C 57.805 0.336 . 21 7 7 TYR CB C 38.969 0.130 . 22 7 7 TYR N N 119.534 0.088 . 23 8 8 GLY H H 8.318 0.026 . 24 8 8 GLY HA2 H 3.480 0.000 . 25 8 8 GLY HA3 H 3.884 0.000 . 26 8 8 GLY C C 174.478 0.000 . 27 8 8 GLY CA C 43.959 0.197 . 28 8 8 GLY N N 110.747 0.161 . 29 9 9 LYS H H 8.814 0.049 . 30 9 9 LYS HA H 4.325 0.073 . 31 9 9 LYS HB2 H 1.852 0.000 . 32 9 9 LYS HB3 H 1.852 0.000 . 33 9 9 LYS HG2 H 1.317 0.000 . 34 9 9 LYS HG3 H 1.317 0.000 . 35 9 9 LYS HD2 H 1.566 0.000 . 36 9 9 LYS HD3 H 1.566 0.000 . 37 9 9 LYS HE2 H 2.909 0.000 . 38 9 9 LYS HE3 H 2.909 0.000 . 39 9 9 LYS HZ H 6.921 0.000 . 40 9 9 LYS C C 177.776 0.000 . 41 9 9 LYS CA C 58.234 0.338 . 42 9 9 LYS CB C 31.816 0.000 . 43 9 9 LYS N N 119.588 0.179 . 44 11 11 ASN C C 176.507 0.000 . 45 11 11 ASN CA C 51.400 0.000 . 46 11 11 ASN CB C 38.014 0.000 . 47 12 12 GLY H H 7.362 0.006 . 48 12 12 GLY HA2 H 3.872 0.000 . 49 12 12 GLY HA3 H 3.785 0.000 . 50 12 12 GLY C C 173.272 0.000 . 51 12 12 GLY CA C 45.351 0.069 . 52 12 12 GLY N N 108.638 0.066 . 53 13 13 PRO CA C 63.600 0.000 . 54 14 14 GLU H H 8.793 0.000 . 55 14 14 GLU CA C 56.674 0.116 . 56 14 14 GLU N N 120.831 0.026 . 57 15 15 HIS H H 9.056 0.027 . 58 15 15 HIS HA H 4.670 0.134 . 59 15 15 HIS HB2 H 3.038 0.000 . 60 15 15 HIS HB3 H 2.909 0.000 . 61 15 15 HIS CA C 56.580 0.315 . 62 15 15 HIS CB C 39.360 0.099 . 63 15 15 HIS N N 115.094 0.068 . 64 16 16 TRP H H 7.479 0.047 . 65 16 16 TRP HA H 4.657 0.000 . 66 16 16 TRP HB2 H 3.038 0.000 . 67 16 16 TRP HB3 H 3.038 0.000 . 68 16 16 TRP C C 177.109 0.000 . 69 16 16 TRP CA C 57.917 0.060 . 70 16 16 TRP CB C 28.600 0.000 . 71 16 16 TRP N N 121.323 0.045 . 72 17 17 HIS H H 9.084 0.024 . 73 17 17 HIS HA H 4.474 0.016 . 74 17 17 HIS HB2 H 3.038 0.000 . 75 17 17 HIS HB3 H 3.038 0.000 . 76 17 17 HIS CA C 56.671 0.086 . 77 17 17 HIS CB C 29.587 0.260 . 78 17 17 HIS N N 115.084 0.039 . 79 18 18 LYS H H 7.237 0.032 . 80 18 18 LYS HA H 4.466 0.017 . 81 18 18 LYS HB2 H 2.026 0.000 . 82 18 18 LYS HB3 H 1.934 0.000 . 83 18 18 LYS HG2 H 1.639 0.000 . 84 18 18 LYS HG3 H 1.639 0.000 . 85 18 18 LYS C C 176.676 0.247 . 86 18 18 LYS CA C 53.129 0.468 . 87 18 18 LYS CB C 30.809 0.296 . 88 18 18 LYS CG C 24.311 0.187 . 89 18 18 LYS CD C 27.988 0.158 . 90 18 18 LYS CE C 43.588 0.000 . 91 18 18 LYS N N 119.414 0.000 . 92 19 19 ASP H H 7.182 0.026 . 93 19 19 ASP HA H 4.515 0.069 . 94 19 19 ASP HB2 H 2.099 0.000 . 95 19 19 ASP HB3 H 1.972 0.035 . 96 19 19 ASP C C 175.549 0.058 . 97 19 19 ASP CA C 54.526 0.205 . 98 19 19 ASP CB C 37.891 0.257 . 99 19 19 ASP N N 114.889 0.090 . 100 20 20 PHE H H 7.978 0.019 . 101 20 20 PHE HA H 4.766 0.203 . 102 20 20 PHE HB2 H 2.872 0.000 . 103 20 20 PHE HB3 H 2.872 0.000 . 104 20 20 PHE C C 174.404 0.000 . 105 20 20 PHE CA C 50.944 0.246 . 106 20 20 PHE CB C 38.899 0.000 . 107 20 20 PHE N N 116.560 0.093 . 108 21 21 PRO C C 178.255 0.000 . 109 21 21 PRO CA C 64.894 0.087 . 110 21 21 PRO CB C 30.900 0.000 . 111 21 21 PRO CG C 26.700 0.000 . 112 21 21 PRO CD C 49.800 0.000 . 113 22 22 ILE H H 8.080 0.050 . 114 22 22 ILE HA H 4.021 0.011 . 115 22 22 ILE HB H 1.823 0.000 . 116 22 22 ILE HG2 H 0.922 0.000 . 117 22 22 ILE HD1 H 0.863 0.030 . 118 22 22 ILE C C 174.075 0.121 . 119 22 22 ILE CA C 61.107 0.097 . 120 22 22 ILE CB C 38.021 0.096 . 121 22 22 ILE CG1 C 28.542 0.154 . 122 22 22 ILE CG2 C 18.278 0.058 . 123 22 22 ILE CD1 C 13.969 0.156 . 124 22 22 ILE N N 120.906 0.167 . 125 23 23 ALA H H 8.780 0.013 . 126 23 23 ALA HA H 4.182 0.008 . 127 23 23 ALA HB H 1.366 0.003 . 128 23 23 ALA C C 179.392 0.073 . 129 23 23 ALA CA C 53.087 0.069 . 130 23 23 ALA CB C 18.472 0.143 . 131 23 23 ALA N N 122.916 0.045 . 132 24 24 LYS H H 7.181 0.014 . 133 24 24 LYS HA H 4.439 0.000 . 134 24 24 LYS HB2 H 2.081 0.000 . 135 24 24 LYS HB3 H 2.081 0.000 . 136 24 24 LYS HG2 H 1.382 0.000 . 137 24 24 LYS HG3 H 1.382 0.000 . 138 24 24 LYS HD2 H 1.731 0.000 . 139 24 24 LYS HD3 H 1.731 0.000 . 140 24 24 LYS HE2 H 3.056 0.000 . 141 24 24 LYS HE3 H 3.056 0.000 . 142 24 24 LYS C C 175.892 0.216 . 143 24 24 LYS CA C 54.482 0.015 . 144 24 24 LYS CB C 30.500 0.000 . 145 24 24 LYS CG C 24.500 0.000 . 146 24 24 LYS CD C 27.714 0.000 . 147 24 24 LYS CE C 43.389 0.000 . 148 24 24 LYS N N 114.527 0.040 . 149 25 25 GLY H H 8.318 0.024 . 150 25 25 GLY HA2 H 4.197 0.000 . 151 25 25 GLY HA3 H 4.132 0.046 . 152 25 25 GLY C C 173.850 0.000 . 153 25 25 GLY CA C 44.356 0.173 . 154 25 25 GLY N N 108.579 0.207 . 155 26 26 GLU H H 9.158 0.024 . 156 26 26 GLU HA H 4.273 0.068 . 157 26 26 GLU HB2 H 1.952 0.000 . 158 26 26 GLU HB3 H 1.952 0.000 . 159 26 26 GLU HG2 H 2.339 0.000 . 160 26 26 GLU HG3 H 2.339 0.000 . 161 26 26 GLU C C 175.727 0.004 . 162 26 26 GLU CA C 56.208 0.196 . 163 26 26 GLU CB C 29.865 0.111 . 164 26 26 GLU CG C 35.736 0.112 . 165 26 26 GLU N N 117.149 0.141 . 166 27 27 ARG H H 8.707 0.042 . 167 27 27 ARG HA H 4.146 0.000 . 168 27 27 ARG HB2 H 2.283 0.000 . 169 27 27 ARG HB3 H 2.283 0.000 . 170 27 27 ARG HG2 H 1.787 0.000 . 171 27 27 ARG HG3 H 1.787 0.000 . 172 27 27 ARG C C 175.346 0.003 . 173 27 27 ARG CA C 52.814 0.169 . 174 27 27 ARG CB C 30.651 0.237 . 175 27 27 ARG CG C 25.766 0.002 . 176 27 27 ARG CD C 41.440 0.000 . 177 27 27 ARG CZ C 60.100 0.000 . 178 27 27 ARG N N 120.989 0.118 . 179 28 28 GLN H H 7.756 0.031 . 180 28 28 GLN HA H 4.404 0.081 . 181 28 28 GLN HB2 H 2.247 0.000 . 182 28 28 GLN HB3 H 1.731 0.000 . 183 28 28 GLN C C 177.643 0.017 . 184 28 28 GLN CA C 54.684 0.214 . 185 28 28 GLN CB C 31.039 0.117 . 186 28 28 GLN CG C 34.408 0.000 . 187 28 28 GLN N N 115.869 0.186 . 188 29 29 SER H H 8.022 0.028 . 189 29 29 SER HA H 4.639 0.000 . 190 29 29 SER HB2 H 4.133 0.029 . 191 29 29 SER HB3 H 4.133 0.029 . 192 29 29 SER C C 170.241 0.000 . 193 29 29 SER CA C 56.900 0.001 . 194 29 29 SER CB C 63.531 0.029 . 195 29 29 SER N N 117.354 0.141 . 196 30 30 PRO C C 172.581 0.000 . 197 30 30 PRO CA C 63.175 0.000 . 198 30 30 PRO CB C 32.600 0.000 . 199 30 30 PRO CG C 25.100 0.000 . 200 31 31 VAL H H 6.253 0.031 . 201 31 31 VAL HA H 4.522 0.016 . 202 31 31 VAL HB H 1.952 0.000 . 203 31 31 VAL HG2 H -0.090 0.000 . 204 31 31 VAL C C 173.621 0.121 . 205 31 31 VAL CA C 58.550 0.211 . 206 31 31 VAL CB C 34.800 0.000 . 207 31 31 VAL CG1 C 20.400 0.000 . 208 31 31 VAL CG2 C 15.700 0.000 . 209 31 31 VAL N N 106.460 0.249 . 210 32 32 ASP H H 8.306 0.041 . 211 32 32 ASP HA H 4.718 0.003 . 212 32 32 ASP HB2 H 2.927 0.000 . 213 32 32 ASP HB3 H 2.799 0.000 . 214 32 32 ASP C C 174.419 0.037 . 215 32 32 ASP CA C 52.631 0.117 . 216 32 32 ASP CB C 41.568 0.176 . 217 32 32 ASP N N 117.953 0.253 . 218 33 33 ILE H H 8.719 0.034 . 219 33 33 ILE HA H 3.921 0.088 . 220 33 33 ILE HB H 2.136 0.000 . 221 33 33 ILE HD1 H 0.609 0.000 . 222 33 33 ILE C C 172.977 0.008 . 223 33 33 ILE CA C 60.538 0.335 . 224 33 33 ILE CB C 36.465 0.000 . 225 33 33 ILE CG1 C 26.300 0.000 . 226 33 33 ILE CG2 C 13.812 0.000 . 227 33 33 ILE CD1 C 11.622 0.000 . 228 33 33 ILE N N 127.586 0.306 . 229 34 34 ASP H H 7.495 0.032 . 230 34 34 ASP HA H 4.817 0.317 . 231 34 34 ASP HB2 H 2.375 0.000 . 232 34 34 ASP HB3 H 2.375 0.000 . 233 34 34 ASP C C 177.918 0.016 . 234 34 34 ASP CA C 51.717 0.199 . 235 34 34 ASP CB C 40.780 0.172 . 236 34 34 ASP N N 127.797 0.185 . 237 35 35 THR H H 10.069 0.048 . 238 35 35 THR HA H 3.647 0.134 . 239 35 35 THR HB H 4.558 0.013 . 240 35 35 THR HG2 H 1.259 0.000 . 241 35 35 THR C C 177.119 0.058 . 242 35 35 THR CA C 64.964 0.326 . 243 35 35 THR CB C 68.166 0.224 . 244 35 35 THR CG2 C 21.170 0.000 . 245 35 35 THR N N 121.710 0.318 . 246 36 36 HIS H H 8.278 0.034 . 247 36 36 HIS HA H 4.878 0.000 . 248 36 36 HIS HB2 H 3.296 0.000 . 249 36 36 HIS HB3 H 3.204 0.000 . 250 36 36 HIS CA C 58.253 0.284 . 251 36 36 HIS CB C 29.778 0.000 . 252 36 36 HIS N N 119.777 0.173 . 253 37 37 THR H H 7.555 0.025 . 254 37 37 THR HA H 4.326 0.113 . 255 37 37 THR HB H 4.329 0.026 . 256 37 37 THR HG2 H 1.045 0.068 . 257 37 37 THR C C 173.943 0.054 . 258 37 37 THR CA C 61.507 0.207 . 259 37 37 THR CB C 68.978 0.261 . 260 37 37 THR CG2 C 22.321 0.970 . 261 37 37 THR N N 108.028 0.210 . 262 38 38 ALA H H 6.982 0.020 . 263 38 38 ALA HA H 4.362 0.025 . 264 38 38 ALA HB H 1.179 0.000 . 265 38 38 ALA C C 175.527 0.088 . 266 38 38 ALA CA C 51.794 0.086 . 267 38 38 ALA CB C 17.442 0.018 . 268 38 38 ALA N N 124.399 0.141 . 269 39 39 LYS H H 8.303 0.026 . 270 39 39 LYS HA H 5.189 0.238 . 271 39 39 LYS HB2 H 1.860 0.000 . 272 39 39 LYS HB3 H 1.860 0.000 . 273 39 39 LYS HG2 H 1.179 0.000 . 274 39 39 LYS HG3 H 1.179 0.000 . 275 39 39 LYS HD2 H 1.731 0.000 . 276 39 39 LYS HD3 H 1.731 0.000 . 277 39 39 LYS HE2 H 2.486 0.000 . 278 39 39 LYS HE3 H 2.486 0.000 . 279 39 39 LYS C C 176.267 0.075 . 280 39 39 LYS CA C 54.664 0.369 . 281 39 39 LYS CB C 33.973 0.041 . 282 39 39 LYS CG C 23.512 0.118 . 283 39 39 LYS CD C 28.223 0.000 . 284 39 39 LYS CE C 42.226 0.093 . 285 39 39 LYS N N 122.097 0.187 . 286 40 40 TYR H H 8.999 0.060 . 287 40 40 TYR HA H 4.668 0.001 . 288 40 40 TYR HB2 H 3.001 0.000 . 289 40 40 TYR HB3 H 2.541 0.000 . 290 40 40 TYR C C 174.633 0.006 . 291 40 40 TYR CA C 56.674 0.095 . 292 40 40 TYR CB C 36.731 0.194 . 293 40 40 TYR N N 128.745 0.275 . 294 41 41 ASP H H 7.648 0.021 . 295 41 41 ASP HA H 4.803 0.140 . 296 41 41 ASP HB2 H 2.670 0.000 . 297 41 41 ASP HB3 H 2.283 0.000 . 298 41 41 ASP C C 174.174 0.000 . 299 41 41 ASP CA C 48.352 0.244 . 300 41 41 ASP CB C 41.892 0.228 . 301 41 41 ASP N N 128.855 0.161 . 302 42 42 PRO C C 176.434 0.000 . 303 42 42 PRO CA C 62.423 0.063 . 304 42 42 PRO CB C 32.849 0.000 . 305 42 42 PRO CG C 25.500 0.000 . 306 42 42 PRO CD C 50.500 0.000 . 307 43 43 SER H H 8.332 0.025 . 308 43 43 SER HA H 4.519 0.322 . 309 43 43 SER HB2 H 4.142 0.000 . 310 43 43 SER HB3 H 3.811 0.000 . 311 43 43 SER C C 175.328 0.034 . 312 43 43 SER CA C 58.685 0.182 . 313 43 43 SER CB C 63.219 0.049 . 314 43 43 SER N N 114.234 0.121 . 315 44 44 LEU H H 6.981 0.023 . 316 44 44 LEU HA H 4.008 0.035 . 317 44 44 LEU HB2 H 1.621 0.000 . 318 44 44 LEU HB3 H 1.621 0.000 . 319 44 44 LEU HG H 1.511 0.000 . 320 44 44 LEU HD2 H 0.830 0.000 . 321 44 44 LEU C C 176.692 0.000 . 322 44 44 LEU CA C 54.482 0.083 . 323 44 44 LEU CB C 39.552 0.090 . 324 44 44 LEU CG C 25.477 0.085 . 325 44 44 LEU CD1 C 24.495 0.000 . 326 44 44 LEU CD2 C 21.335 0.146 . 327 44 44 LEU N N 122.723 0.256 . 328 45 45 LYS H H 7.454 0.032 . 329 45 45 LYS HA H 4.601 0.060 . 330 45 45 LYS HB2 H 1.805 0.000 . 331 45 45 LYS HB3 H 1.805 0.000 . 332 45 45 LYS HG2 H 1.474 0.000 . 333 45 45 LYS HG3 H 1.474 0.000 . 334 45 45 LYS HD2 H 1.639 0.000 . 335 45 45 LYS HD3 H 1.639 0.000 . 336 45 45 LYS HE2 H 3.075 0.000 . 337 45 45 LYS HE3 H 3.075 0.000 . 338 45 45 LYS C C 174.434 0.000 . 339 45 45 LYS CA C 53.637 0.155 . 340 45 45 LYS CB C 30.794 0.019 . 341 45 45 LYS CG C 24.376 0.089 . 342 45 45 LYS CD C 27.942 0.118 . 343 45 45 LYS CE C 39.546 0.216 . 344 45 45 LYS N N 122.912 0.144 . 345 46 46 PRO C C 177.970 0.000 . 346 46 46 PRO CA C 62.694 0.087 . 347 46 46 PRO CB C 31.000 0.000 . 348 46 46 PRO CG C 27.400 0.000 . 349 46 46 PRO CD C 49.800 0.000 . 350 47 47 LEU H H 8.836 0.043 . 351 47 47 LEU HA H 4.100 0.095 . 352 47 47 LEU HB2 H 1.989 0.000 . 353 47 47 LEU HB3 H 1.989 0.000 . 354 47 47 LEU HG H 1.419 0.000 . 355 47 47 LEU HD2 H 0.774 0.000 . 356 47 47 LEU C C 175.600 0.000 . 357 47 47 LEU CA C 54.769 0.208 . 358 47 47 LEU CB C 42.617 0.071 . 359 47 47 LEU CG C 25.386 0.046 . 360 47 47 LEU CD1 C 23.913 0.032 . 361 47 47 LEU CD2 C 19.702 0.093 . 362 47 47 LEU N N 124.798 0.245 . 363 48 48 SER H H 8.385 0.027 . 364 48 48 SER HA H 4.536 0.050 . 365 48 48 SER HB2 H 3.498 0.000 . 366 48 48 SER HB3 H 3.567 0.000 . 367 48 48 SER C C 172.247 0.101 . 368 48 48 SER CA C 55.815 0.279 . 369 48 48 SER CB C 62.603 0.142 . 370 48 48 SER N N 118.620 0.104 . 371 49 49 VAL H H 8.558 0.043 . 372 49 49 VAL HA H 3.966 0.042 . 373 49 49 VAL HB H 1.529 0.000 . 374 49 49 VAL HG2 H 0.388 0.000 . 375 49 49 VAL C C 175.400 0.000 . 376 49 49 VAL CA C 62.957 0.338 . 377 49 49 VAL CB C 38.826 0.000 . 378 49 49 VAL CG1 C 19.000 0.000 . 379 49 49 VAL CG2 C 19.000 0.000 . 380 49 49 VAL N N 125.725 0.137 . 381 50 50 SER H H 8.436 0.020 . 382 50 50 SER HA H 5.283 0.000 . 383 50 50 SER HB2 H 3.884 0.000 . 384 50 50 SER HB3 H 3.884 0.000 . 385 50 50 SER C C 173.993 0.000 . 386 50 50 SER CA C 57.470 0.310 . 387 50 50 SER CB C 62.584 0.000 . 388 50 50 SER N N 121.978 0.037 . 389 51 51 TYR H H 8.863 0.163 . 390 51 51 TYR HA H 5.917 0.207 . 391 51 51 TYR HB2 H 3.130 0.000 . 392 51 51 TYR HB3 H 2.688 0.000 . 393 51 51 TYR C C 176.046 0.000 . 394 51 51 TYR CA C 52.829 0.539 . 395 51 51 TYR CB C 40.315 0.946 . 396 51 51 TYR N N 123.628 0.055 . 397 52 52 ASP H H 8.763 0.081 . 398 52 52 ASP HA H 4.267 0.051 . 399 52 52 ASP HB2 H 2.739 0.000 . 400 52 52 ASP HB3 H 2.283 0.000 . 401 52 52 ASP C C 175.826 0.286 . 402 52 52 ASP CA C 55.784 0.195 . 403 52 52 ASP CB C 41.672 0.139 . 404 52 52 ASP N N 121.190 0.037 . 405 53 53 GLN H H 8.735 0.054 . 406 53 53 GLN HA H 4.554 0.024 . 407 53 53 GLN HB2 H 2.688 0.000 . 408 53 53 GLN HB3 H 2.688 0.000 . 409 53 53 GLN HG2 H 2.594 0.000 . 410 53 53 GLN HG3 H 2.594 0.000 . 411 53 53 GLN C C 174.961 0.000 . 412 53 53 GLN CA C 53.533 0.152 . 413 53 53 GLN CB C 30.857 0.000 . 414 53 53 GLN CG C 34.000 0.000 . 415 53 53 GLN N N 114.986 0.100 . 416 54 54 ALA H H 7.232 0.018 . 417 54 54 ALA HA H 4.088 0.283 . 418 54 54 ALA HB H 1.345 0.000 . 419 54 54 ALA C C 177.822 0.033 . 420 54 54 ALA CA C 52.825 0.119 . 421 54 54 ALA CB C 18.703 0.006 . 422 54 54 ALA N N 119.042 0.196 . 423 55 55 THR H H 9.252 0.023 . 424 55 55 THR HA H 4.838 0.024 . 425 55 55 THR HB H 4.013 0.000 . 426 55 55 THR HG2 H 1.335 0.014 . 427 55 55 THR C C 173.101 0.027 . 428 55 55 THR CA C 60.269 0.221 . 429 55 55 THR CB C 71.211 0.047 . 430 55 55 THR CG2 C 20.490 0.198 . 431 55 55 THR N N 120.211 0.127 . 432 56 56 SER H H 9.685 0.033 . 433 56 56 SER HA H 4.381 0.025 . 434 56 56 SER HB2 H 3.568 0.001 . 435 56 56 SER HB3 H 3.498 0.000 . 436 56 56 SER C C 173.765 0.184 . 437 56 56 SER CA C 58.267 0.180 . 438 56 56 SER CB C 63.012 0.120 . 439 56 56 SER N N 126.414 0.203 . 440 57 57 LEU H H 8.842 0.027 . 441 57 57 LEU HA H 4.657 0.032 . 442 57 57 LEU HB2 H 2.759 0.000 . 443 57 57 LEU HB3 H 2.759 0.000 . 444 57 57 LEU HG H 1.417 0.069 . 445 57 57 LEU HD2 H 0.903 0.000 . 446 57 57 LEU C C 176.438 0.000 . 447 57 57 LEU CA C 55.024 0.314 . 448 57 57 LEU CB C 44.700 0.100 . 449 57 57 LEU CG C 25.973 0.199 . 450 57 57 LEU CD1 C 25.015 0.056 . 451 57 57 LEU CD2 C 21.679 0.130 . 452 57 57 LEU N N 116.917 0.093 . 453 58 58 ARG H H 7.250 0.000 . 454 58 58 ARG CA C 54.919 0.000 . 455 58 58 ARG N N 116.902 0.000 . 456 59 59 ILE H H 9.191 0.047 . 457 59 59 ILE HA H 4.646 0.000 . 458 59 59 ILE CA C 58.413 0.062 . 459 59 59 ILE N N 123.606 0.069 . 460 60 60 LEU H H 8.878 0.034 . 461 60 60 LEU HA H 4.523 0.048 . 462 60 60 LEU HB2 H 2.118 0.000 . 463 60 60 LEU HB3 H 2.118 0.000 . 464 60 60 LEU HG H 1.345 0.000 . 465 60 60 LEU HD1 H 0.811 0.000 . 466 60 60 LEU C C 176.023 0.000 . 467 60 60 LEU CA C 52.715 0.375 . 468 60 60 LEU CB C 40.256 0.121 . 469 60 60 LEU CG C 25.700 0.000 . 470 60 60 LEU CD1 C 24.749 0.000 . 471 60 60 LEU N N 123.616 0.023 . 472 61 61 ASN H H 8.463 0.030 . 473 61 61 ASN HA H 4.768 0.000 . 474 61 61 ASN HB2 H 3.019 0.000 . 475 61 61 ASN HB3 H 2.412 0.000 . 476 61 61 ASN C C 176.271 0.227 . 477 61 61 ASN CA C 57.456 0.261 . 478 61 61 ASN CB C 37.793 0.000 . 479 61 61 ASN N N 122.086 0.031 . 480 62 62 ASN H H 7.929 0.037 . 481 62 62 ASN HA H 4.990 0.071 . 482 62 62 ASN HB2 H 3.281 0.059 . 483 62 62 ASN HB3 H 3.283 0.061 . 484 62 62 ASN C C 176.688 0.214 . 485 62 62 ASN CA C 50.991 0.274 . 486 62 62 ASN CB C 38.093 0.186 . 487 62 62 ASN N N 122.748 0.175 . 488 63 63 GLY H H 9.659 0.041 . 489 63 63 GLY HA2 H 3.369 0.000 . 490 63 63 GLY HA3 H 3.833 0.074 . 491 63 63 GLY C C 172.587 0.000 . 492 63 63 GLY CA C 44.587 0.255 . 493 63 63 GLY N N 108.552 0.447 . 494 64 64 HIS H H 8.336 0.059 . 495 64 64 HIS HA H 5.117 0.000 . 496 64 64 HIS HB2 H 3.680 0.000 . 497 64 64 HIS HB3 H 3.680 0.000 . 498 64 64 HIS CA C 57.958 0.282 . 499 64 64 HIS CB C 30.706 0.249 . 500 64 64 HIS N N 116.291 0.258 . 501 65 65 ALA H H 8.639 0.045 . 502 65 65 ALA HA H 4.442 0.302 . 503 65 65 ALA HB H 1.492 0.000 . 504 65 65 ALA C C 175.939 0.000 . 505 65 65 ALA CA C 49.573 1.405 . 506 65 65 ALA CB C 19.129 0.034 . 507 65 65 ALA N N 123.494 0.125 . 508 66 66 PHE H H 7.250 0.000 . 509 66 66 PHE HA H 4.841 0.000 . 510 66 66 PHE HB2 H 2.504 0.000 . 511 66 66 PHE HB3 H 2.504 0.000 . 512 66 66 PHE C C 173.902 0.000 . 513 66 66 PHE CA C 54.700 0.002 . 514 66 66 PHE CB C 41.400 0.000 . 515 66 66 PHE N N 111.920 0.000 . 516 67 67 ASN H H 9.085 0.051 . 517 67 67 ASN HA H 4.749 0.019 . 518 67 67 ASN HB2 H 2.670 0.000 . 519 67 67 ASN HB3 H 2.670 0.000 . 520 67 67 ASN C C 174.873 0.073 . 521 67 67 ASN CA C 49.969 0.256 . 522 67 67 ASN CB C 40.080 0.000 . 523 67 67 ASN N N 120.557 0.682 . 524 68 68 VAL H H 8.821 0.069 . 525 68 68 VAL HA H 4.592 0.220 . 526 68 68 VAL HB H 1.933 0.031 . 527 68 68 VAL HG2 H 0.646 0.000 . 528 68 68 VAL C C 175.000 0.000 . 529 68 68 VAL CA C 60.747 0.664 . 530 68 68 VAL CB C 32.716 0.096 . 531 68 68 VAL CG1 C 20.977 0.163 . 532 68 68 VAL CG2 C 21.327 0.212 . 533 68 68 VAL N N 122.053 0.286 . 534 69 69 GLU H H 8.590 0.089 . 535 69 69 GLU HA H 4.512 0.003 . 536 69 69 GLU HB2 H 2.063 0.000 . 537 69 69 GLU HB3 H 1.787 0.000 . 538 69 69 GLU C C 176.608 0.224 . 539 69 69 GLU CA C 54.935 0.127 . 540 69 69 GLU CB C 31.791 0.027 . 541 69 69 GLU CG C 36.600 0.000 . 542 69 69 GLU N N 122.714 0.194 . 543 70 70 PHE H H 8.522 0.032 . 544 70 70 PHE HA H 4.841 0.000 . 545 70 70 PHE HB2 H 3.085 0.035 . 546 70 70 PHE HB3 H 2.898 0.000 . 547 70 70 PHE C C 174.371 0.000 . 548 70 70 PHE CA C 56.287 0.054 . 549 70 70 PHE CB C 41.319 0.115 . 550 70 70 PHE N N 118.013 0.060 . 551 71 71 ASP H H 8.449 0.000 . 552 71 71 ASP CA C 56.048 0.000 . 553 71 71 ASP N N 117.674 0.000 . 554 72 72 ASP H H 9.014 0.000 . 555 72 72 ASP CA C 52.716 0.000 . 556 72 72 ASP N N 133.781 0.000 . 557 73 73 SER H H 8.829 0.038 . 558 73 73 SER HA H 4.160 0.000 . 559 73 73 SER HB2 H 4.032 0.000 . 560 73 73 SER HB3 H 4.105 0.000 . 561 73 73 SER C C 172.634 0.000 . 562 73 73 SER CA C 59.975 0.584 . 563 73 73 SER CB C 63.365 0.069 . 564 73 73 SER N N 116.186 0.199 . 565 74 74 GLN H H 7.658 0.026 . 566 74 74 GLN HA H 4.621 0.073 . 567 74 74 GLN HB2 H 2.228 0.000 . 568 74 74 GLN HB3 H 2.228 0.000 . 569 74 74 GLN HG2 H 2.228 0.000 . 570 74 74 GLN HG3 H 2.228 0.000 . 571 74 74 GLN C C 173.670 0.046 . 572 74 74 GLN CA C 52.876 0.550 . 573 74 74 GLN CB C 32.640 0.565 . 574 74 74 GLN N N 117.610 0.246 . 575 75 75 ASP H H 8.082 0.054 . 576 75 75 ASP HA H 4.651 0.373 . 577 75 75 ASP HB2 H 3.774 0.000 . 578 75 75 ASP HB3 H 3.774 0.000 . 579 75 75 ASP C C 176.699 0.077 . 580 75 75 ASP CA C 52.798 0.050 . 581 75 75 ASP CB C 38.014 0.000 . 582 75 75 ASP N N 120.436 0.242 . 583 76 76 LYS H H 7.756 0.052 . 584 76 76 LYS HA H 3.489 0.000 . 585 76 76 LYS HB2 H 1.768 0.000 . 586 76 76 LYS HB3 H 1.768 0.000 . 587 76 76 LYS HG2 H 0.664 0.000 . 588 76 76 LYS HG3 H 0.664 0.000 . 589 76 76 LYS HD2 H 1.320 0.014 . 590 76 76 LYS HD3 H 1.327 0.000 . 591 76 76 LYS HE2 H 2.541 0.000 . 592 76 76 LYS HE3 H 2.541 0.000 . 593 76 76 LYS C C 170.603 0.000 . 594 76 76 LYS CA C 56.869 0.209 . 595 76 76 LYS CB C 32.842 0.157 . 596 76 76 LYS CG C 25.260 0.101 . 597 76 76 LYS CD C 28.444 0.207 . 598 76 76 LYS CE C 41.517 0.216 . 599 76 76 LYS N N 124.065 0.002 . 600 77 77 ALA H H 8.599 0.006 . 601 77 77 ALA HA H 5.050 0.017 . 602 77 77 ALA HB H 1.179 0.000 . 603 77 77 ALA C C 174.800 0.000 . 604 77 77 ALA CA C 48.766 0.119 . 605 77 77 ALA CB C 18.904 0.000 . 606 77 77 ALA N N 123.311 0.039 . 607 78 78 VAL H H 8.775 0.045 . 608 78 78 VAL HA H 4.756 0.013 . 609 78 78 VAL HB H 1.952 0.000 . 610 78 78 VAL HG2 H 0.756 0.000 . 611 78 78 VAL C C 171.664 0.000 . 612 78 78 VAL CA C 58.060 0.129 . 613 78 78 VAL CB C 35.914 0.285 . 614 78 78 VAL CG1 C 20.876 0.225 . 615 78 78 VAL CG2 C 17.744 0.125 . 616 78 78 VAL N N 115.315 0.143 . 617 79 79 LEU H H 9.052 0.034 . 618 79 79 LEU HA H 4.851 0.019 . 619 79 79 LEU HB2 H 1.915 0.000 . 620 79 79 LEU HB3 H 1.915 0.000 . 621 79 79 LEU HG H 1.290 0.000 . 622 79 79 LEU HD1 H 0.498 0.000 . 623 79 79 LEU HD2 H 0.498 0.000 . 624 79 79 LEU C C 174.241 0.024 . 625 79 79 LEU CA C 52.397 0.174 . 626 79 79 LEU CB C 45.370 0.136 . 627 79 79 LEU CD1 C 25.102 0.000 . 628 79 79 LEU CD2 C 25.102 0.000 . 629 79 79 LEU N N 124.404 0.233 . 630 80 80 LYS H H 8.522 0.020 . 631 80 80 LYS HA H 4.374 0.067 . 632 80 80 LYS HB2 H 1.934 0.000 . 633 80 80 LYS HB3 H 1.658 0.000 . 634 80 80 LYS HG2 H 1.234 0.000 . 635 80 80 LYS HG3 H 1.234 0.000 . 636 80 80 LYS HD2 H 1.658 0.000 . 637 80 80 LYS HD3 H 1.658 0.000 . 638 80 80 LYS HE2 H 3.038 0.000 . 639 80 80 LYS HE3 H 3.038 0.000 . 640 80 80 LYS C C 174.583 0.000 . 641 80 80 LYS CA C 53.920 0.226 . 642 80 80 LYS CB C 36.329 0.079 . 643 80 80 LYS CG C 23.754 0.155 . 644 80 80 LYS CD C 28.646 0.217 . 645 80 80 LYS CE C 43.943 0.157 . 646 80 80 LYS N N 121.155 0.274 . 647 81 81 GLY H H 8.960 0.031 . 648 81 81 GLY HA2 H 4.639 0.000 . 649 81 81 GLY HA3 H 4.359 0.280 . 650 81 81 GLY C C 173.761 0.000 . 651 81 81 GLY CA C 43.724 0.192 . 652 81 81 GLY N N 105.933 0.129 . 653 82 82 GLY H H 7.007 0.041 . 654 82 82 GLY HA2 H 3.572 0.000 . 655 82 82 GLY HA3 H 4.110 0.000 . 656 82 82 GLY C C 171.526 0.000 . 657 82 82 GLY CA C 44.014 0.140 . 658 82 82 GLY N N 108.280 0.274 . 659 83 83 PRO C C 174.827 0.000 . 660 83 83 PRO CA C 62.181 0.097 . 661 83 83 PRO CB C 31.700 0.000 . 662 83 83 PRO CG C 24.800 0.000 . 663 83 83 PRO CD C 48.800 0.000 . 664 84 84 LEU H H 7.776 0.026 . 665 84 84 LEU HA H 4.171 0.021 . 666 84 84 LEU HB2 H 1.989 0.000 . 667 84 84 LEU HB3 H 1.989 0.000 . 668 84 84 LEU HG H 1.161 0.000 . 669 84 84 LEU HD2 H -0.035 0.000 . 670 84 84 LEU C C 176.379 0.000 . 671 84 84 LEU CA C 54.067 0.218 . 672 84 84 LEU CB C 40.244 0.130 . 673 84 84 LEU CG C 25.953 0.149 . 674 84 84 LEU CD1 C 22.574 0.078 . 675 84 84 LEU CD2 C 19.610 0.276 . 676 84 84 LEU N N 120.000 0.140 . 677 85 85 ASP H H 8.983 0.051 . 678 85 85 ASP HA H 5.085 0.124 . 679 85 85 ASP HB2 H 2.762 0.000 . 680 85 85 ASP HB3 H 2.762 0.000 . 681 85 85 ASP C C 175.377 0.000 . 682 85 85 ASP CA C 52.478 0.199 . 683 85 85 ASP CB C 41.295 0.008 . 684 85 85 ASP N N 123.725 0.046 . 685 86 86 GLY H H 8.000 0.053 . 686 86 86 GLY HA2 H 3.790 0.000 . 687 86 86 GLY HA3 H 4.053 0.057 . 688 86 86 GLY C C 172.807 0.006 . 689 86 86 GLY CA C 44.030 0.166 . 690 86 86 GLY N N 108.945 0.151 . 691 87 87 THR H H 8.490 0.038 . 692 87 87 THR HA H 4.328 0.001 . 693 87 87 THR HB H 3.791 0.002 . 694 87 87 THR HG2 H 0.912 0.019 . 695 87 87 THR C C 172.646 0.037 . 696 87 87 THR CA C 62.440 0.120 . 697 87 87 THR CB C 69.788 0.107 . 698 87 87 THR CG2 C 21.042 0.163 . 699 87 87 THR N N 116.356 0.159 . 700 88 88 TYR H H 8.493 0.019 . 701 88 88 TYR HA H 4.457 0.003 . 702 88 88 TYR HB2 H 2.909 0.000 . 703 88 88 TYR HB3 H 2.486 0.000 . 704 88 88 TYR C C 174.685 0.000 . 705 88 88 TYR CA C 54.773 0.181 . 706 88 88 TYR CB C 38.900 0.000 . 707 88 88 TYR N N 125.836 0.102 . 708 89 89 ARG H H 8.461 0.024 . 709 89 89 ARG HA H 4.773 0.018 . 710 89 89 ARG HB2 H 1.437 0.000 . 711 89 89 ARG HB3 H 1.437 0.000 . 712 89 89 ARG HG2 H 1.106 0.000 . 713 89 89 ARG HG3 H 1.106 0.000 . 714 89 89 ARG HD2 H 2.707 0.000 . 715 89 89 ARG HD3 H 3.259 0.000 . 716 89 89 ARG C C 176.168 0.268 . 717 89 89 ARG CA C 57.677 0.315 . 718 89 89 ARG CB C 30.468 0.000 . 719 89 89 ARG CG C 26.300 0.000 . 720 89 89 ARG CD C 44.200 0.000 . 721 89 89 ARG CZ C 159.000 0.000 . 722 89 89 ARG N N 121.803 0.129 . 723 90 90 LEU H H 8.633 0.044 . 724 90 90 LEU HA H 4.283 0.420 . 725 90 90 LEU HB2 H 1.492 0.000 . 726 90 90 LEU HB3 H 1.492 0.000 . 727 90 90 LEU HG H 0.958 0.000 . 728 90 90 LEU HD1 H 0.453 0.000 . 729 90 90 LEU HD2 H 0.453 0.000 . 730 90 90 LEU C C 174.949 0.000 . 731 90 90 LEU CA C 48.997 0.344 . 732 90 90 LEU CB C 38.826 0.000 . 733 90 90 LEU CG C 26.834 0.116 . 734 90 90 LEU N N 123.595 0.034 . 735 91 91 ILE H H 8.758 0.019 . 736 91 91 ILE HA H 4.473 0.149 . 737 91 91 ILE HB H 1.842 0.000 . 738 91 91 ILE HG12 H 1.382 0.000 . 739 91 91 ILE HG13 H 1.382 0.000 . 740 91 91 ILE HG2 H 0.958 0.000 . 741 91 91 ILE HD1 H 0.351 0.000 . 742 91 91 ILE C C 173.019 0.019 . 743 91 91 ILE CA C 53.204 0.198 . 744 91 91 ILE CB C 31.171 0.111 . 745 91 91 ILE CG1 C 28.373 0.086 . 746 91 91 ILE CD1 C 12.900 0.000 . 747 91 91 ILE N N 123.102 0.063 . 748 92 92 GLN H H 7.138 0.006 . 749 92 92 GLN HA H 5.264 0.037 . 750 92 92 GLN HB2 H 2.007 0.000 . 751 92 92 GLN HB3 H 2.007 0.000 . 752 92 92 GLN HG2 H 2.265 0.000 . 753 92 92 GLN HG3 H 2.265 0.000 . 754 92 92 GLN C C 177.868 0.000 . 755 92 92 GLN CA C 54.909 0.444 . 756 92 92 GLN CB C 30.414 0.000 . 757 92 92 GLN CG C 30.200 0.000 . 758 92 92 GLN N N 114.262 0.243 . 759 93 93 PHE H H 8.643 0.019 . 760 93 93 PHE HA H 4.676 0.000 . 761 93 93 PHE HB2 H 2.357 0.000 . 762 93 93 PHE HB3 H 1.971 0.000 . 763 93 93 PHE C C 174.693 0.000 . 764 93 93 PHE CA C 55.520 0.097 . 765 93 93 PHE CB C 44.000 0.000 . 766 93 93 PHE N N 113.035 0.267 . 767 94 94 HIS H H 8.223 0.036 . 768 94 94 HIS HA H 4.787 0.152 . 769 94 94 HIS HB2 H 3.314 0.000 . 770 94 94 HIS HB3 H 3.314 0.000 . 771 94 94 HIS CA C 50.796 0.230 . 772 94 94 HIS CB C 30.872 0.000 . 773 94 94 HIS N N 111.928 0.110 . 774 95 95 PHE H H 9.115 0.027 . 775 95 95 PHE HA H 5.015 0.272 . 776 95 95 PHE HB2 H 3.829 0.000 . 777 95 95 PHE HB3 H 2.909 0.000 . 778 95 95 PHE C C 174.178 0.000 . 779 95 95 PHE CA C 56.187 0.196 . 780 95 95 PHE CB C 43.253 0.000 . 781 95 95 PHE N N 117.201 0.174 . 782 96 96 HIS H H 8.736 0.023 . 783 96 96 HIS HA H 4.075 0.233 . 784 96 96 HIS HB2 H 2.946 0.000 . 785 96 96 HIS HB3 H 2.946 0.000 . 786 96 96 HIS CA C 53.635 0.158 . 787 96 96 HIS CB C 30.700 0.000 . 788 96 96 HIS N N 115.069 0.016 . 789 97 97 TRP H H 9.633 0.026 . 790 97 97 TRP HA H 5.173 0.000 . 791 97 97 TRP HB2 H 2.872 0.000 . 792 97 97 TRP HB3 H 2.872 0.000 . 793 97 97 TRP C C 175.240 0.209 . 794 97 97 TRP CA C 58.269 0.336 . 795 97 97 TRP CB C 30.800 0.000 . 796 97 97 TRP N N 119.393 0.162 . 797 98 98 GLY H H 7.988 0.050 . 798 98 98 GLY HA2 H 4.392 0.244 . 799 98 98 GLY HA3 H 4.565 0.000 . 800 98 98 GLY C C 174.771 0.000 . 801 98 98 GLY CA C 43.915 0.089 . 802 98 98 GLY N N 108.258 0.053 . 803 99 99 SER H H 8.309 0.027 . 804 99 99 SER HA H 4.172 0.068 . 805 99 99 SER HB2 H 3.314 0.000 . 806 99 99 SER HB3 H 3.314 0.000 . 807 99 99 SER C C 173.089 0.184 . 808 99 99 SER CA C 57.991 0.169 . 809 99 99 SER CB C 62.300 0.000 . 810 99 99 SER N N 110.975 0.315 . 811 100 100 LEU H H 7.190 0.035 . 812 100 100 LEU HA H 4.563 0.067 . 813 100 100 LEU HB2 H 2.155 0.000 . 814 100 100 LEU HB3 H 2.155 0.000 . 815 100 100 LEU HG H 1.529 0.000 . 816 100 100 LEU HD2 H 0.903 0.000 . 817 100 100 LEU C C 177.799 0.000 . 818 100 100 LEU CA C 52.941 0.184 . 819 100 100 LEU CB C 46.204 0.000 . 820 100 100 LEU CG C 25.800 0.000 . 821 100 100 LEU CD1 C 24.500 0.000 . 822 100 100 LEU CD2 C 22.800 0.000 . 823 100 100 LEU N N 119.418 0.004 . 824 101 101 ASP H H 9.012 0.029 . 825 101 101 ASP HA H 5.560 0.000 . 826 101 101 ASP CA C 57.174 0.090 . 827 101 101 ASP N N 122.673 0.112 . 828 102 102 GLY H H 7.213 0.066 . 829 102 102 GLY HA2 H 3.627 0.000 . 830 102 102 GLY HA3 H 3.976 0.000 . 831 102 102 GLY C C 171.524 0.000 . 832 102 102 GLY CA C 45.361 0.219 . 833 102 102 GLY N N 103.202 0.211 . 834 103 103 GLN H H 7.795 0.028 . 835 103 103 GLN HA H 4.236 0.033 . 836 103 103 GLN HB2 H 1.419 0.000 . 837 103 103 GLN HB3 H 1.419 0.000 . 838 103 103 GLN HG2 H 2.191 0.000 . 839 103 103 GLN HG3 H 2.191 0.000 . 840 103 103 GLN C C 171.098 0.004 . 841 103 103 GLN CA C 52.755 0.049 . 842 103 103 GLN CB C 30.200 0.000 . 843 103 103 GLN CG C 31.400 0.000 . 844 103 103 GLN N N 113.036 0.293 . 845 104 104 GLY H H 8.261 0.044 . 846 104 104 GLY HA2 H 4.229 0.000 . 847 104 104 GLY HA3 H 4.229 0.000 . 848 104 104 GLY C C 170.935 0.020 . 849 104 104 GLY CA C 45.812 0.201 . 850 104 104 GLY N N 105.992 0.099 . 851 105 105 SER H H 7.419 0.020 . 852 105 105 SER HA H 4.214 0.009 . 853 105 105 SER HB2 H 3.869 0.000 . 854 105 105 SER HB3 H 3.869 0.000 . 855 105 105 SER C C 172.342 0.000 . 856 105 105 SER CA C 57.657 0.147 . 857 105 105 SER CB C 62.800 0.000 . 858 105 105 SER N N 107.582 0.191 . 859 106 106 GLU H H 8.454 0.029 . 860 106 106 GLU HA H 4.370 0.000 . 861 106 106 GLU HB2 H 2.118 0.000 . 862 106 106 GLU HB3 H 2.118 0.000 . 863 106 106 GLU HG2 H 2.670 0.000 . 864 106 106 GLU HG3 H 2.670 0.000 . 865 106 106 GLU C C 177.479 0.214 . 866 106 106 GLU CA C 58.095 0.147 . 867 106 106 GLU CB C 29.800 0.000 . 868 106 106 GLU CG C 35.086 0.000 . 869 106 106 GLU N N 119.377 0.045 . 870 107 107 HIS H H 10.789 0.062 . 871 107 107 HIS HA H 4.377 0.079 . 872 107 107 HIS HB2 H 3.314 0.000 . 873 107 107 HIS HB3 H 3.314 0.000 . 874 107 107 HIS CA C 59.868 0.311 . 875 107 107 HIS CB C 28.187 0.034 . 876 107 107 HIS N N 117.938 0.252 . 877 108 108 THR H H 7.369 0.033 . 878 108 108 THR HA H 4.674 0.015 . 879 108 108 THR HB H 3.599 0.124 . 880 108 108 THR HG2 H 1.511 0.000 . 881 108 108 THR C C 173.351 0.000 . 882 108 108 THR CA C 58.599 0.141 . 883 108 108 THR CB C 71.202 0.019 . 884 108 108 THR CG2 C 29.337 14.647 . 885 108 108 THR N N 108.961 0.179 . 886 109 109 VAL H H 7.681 0.024 . 887 109 109 VAL HA H 4.451 0.000 . 888 109 109 VAL HB H 1.805 0.000 . 889 109 109 VAL HG2 H 0.793 0.000 . 890 109 109 VAL C C 176.704 0.012 . 891 109 109 VAL CA C 60.513 0.195 . 892 109 109 VAL CB C 32.891 0.029 . 893 109 109 VAL CG1 C 20.946 0.075 . 894 109 109 VAL CG2 C 20.947 0.065 . 895 109 109 VAL N N 118.333 0.116 . 896 110 110 ASP H H 9.718 0.018 . 897 110 110 ASP HA H 4.662 0.000 . 898 110 110 ASP HB2 H 2.817 0.000 . 899 110 110 ASP HB3 H 2.817 0.000 . 900 110 110 ASP C C 176.596 0.036 . 901 110 110 ASP CA C 55.769 0.097 . 902 110 110 ASP CB C 38.380 0.157 . 903 110 110 ASP N N 132.220 0.195 . 904 111 111 LYS H H 9.843 0.027 . 905 111 111 LYS HA H 3.171 0.010 . 906 111 111 LYS HB2 H 2.283 0.000 . 907 111 111 LYS HB3 H 2.283 0.000 . 908 111 111 LYS HG2 H 1.179 0.000 . 909 111 111 LYS HG3 H 1.179 0.000 . 910 111 111 LYS HE2 H 2.799 0.000 . 911 111 111 LYS HE3 H 2.799 0.000 . 912 111 111 LYS C C 175.467 0.136 . 913 111 111 LYS CA C 57.109 0.229 . 914 111 111 LYS CB C 28.853 0.182 . 915 111 111 LYS CG C 24.414 0.135 . 916 111 111 LYS CD C 27.464 0.124 . 917 111 111 LYS CE C 41.652 0.090 . 918 111 111 LYS N N 109.902 0.208 . 919 112 112 LYS H H 8.295 0.026 . 920 112 112 LYS HA H 3.976 0.000 . 921 112 112 LYS HB2 H 1.695 0.000 . 922 112 112 LYS HB3 H 1.695 0.000 . 923 112 112 LYS HG2 H 0.793 0.000 . 924 112 112 LYS HG3 H 0.793 0.000 . 925 112 112 LYS HD2 H 1.382 0.000 . 926 112 112 LYS HD3 H 1.382 0.000 . 927 112 112 LYS HE2 H 3.443 0.000 . 928 112 112 LYS HE3 H 3.443 0.000 . 929 112 112 LYS C C 176.010 0.000 . 930 112 112 LYS CA C 56.160 0.443 . 931 112 112 LYS CB C 31.890 0.000 . 932 112 112 LYS CG C 23.647 0.000 . 933 112 112 LYS CD C 28.731 0.000 . 934 112 112 LYS CE C 40.762 0.000 . 935 112 112 LYS N N 125.258 0.080 . 936 113 113 LYS H H 7.958 0.045 . 937 113 113 LYS HA H 4.086 0.009 . 938 113 113 LYS HB2 H 1.400 0.000 . 939 113 113 LYS HB3 H 1.400 0.000 . 940 113 113 LYS HG2 H 0.498 0.000 . 941 113 113 LYS HG3 H 0.498 0.000 . 942 113 113 LYS HD2 H 0.885 0.000 . 943 113 113 LYS HD3 H 0.885 0.000 . 944 113 113 LYS HE2 H 3.259 0.000 . 945 113 113 LYS HE3 H 3.259 0.000 . 946 113 113 LYS C C 175.629 0.000 . 947 113 113 LYS CA C 54.201 0.099 . 948 113 113 LYS CB C 34.620 0.000 . 949 113 113 LYS CG C 25.200 0.000 . 950 113 113 LYS CD C 28.500 0.000 . 951 113 113 LYS N N 123.355 0.178 . 952 114 114 TYR H H 8.165 0.065 . 953 114 114 TYR HA H 4.563 0.039 . 954 114 114 TYR HB2 H 3.150 0.000 . 955 114 114 TYR HB3 H 2.670 0.000 . 956 114 114 TYR C C 173.225 0.066 . 957 114 114 TYR CA C 57.400 0.203 . 958 114 114 TYR CB C 38.856 0.097 . 959 114 114 TYR N N 120.667 0.118 . 960 115 115 ALA H H 7.433 0.025 . 961 115 115 ALA HA H 3.868 0.424 . 962 115 115 ALA HB H 1.588 0.088 . 963 115 115 ALA C C 177.955 0.115 . 964 115 115 ALA CA C 53.003 0.192 . 965 115 115 ALA CB C 18.590 0.122 . 966 115 115 ALA N N 120.243 0.187 . 967 116 116 ALA H H 8.229 0.022 . 968 116 116 ALA HA H 4.744 0.257 . 969 116 116 ALA HB H 1.860 0.000 . 970 116 116 ALA C C 175.286 0.000 . 971 116 116 ALA CA C 50.659 0.119 . 972 116 116 ALA CB C 21.649 0.121 . 973 116 116 ALA N N 112.194 0.051 . 974 117 117 GLU H H 9.400 0.046 . 975 117 117 GLU HA H 4.013 0.000 . 976 117 117 GLU HB2 H 2.320 0.000 . 977 117 117 GLU HB3 H 2.320 0.000 . 978 117 117 GLU C C 172.949 0.000 . 979 117 117 GLU CA C 55.429 0.138 . 980 117 117 GLU CB C 35.300 0.000 . 981 117 117 GLU CG C 35.300 0.000 . 982 117 117 GLU N N 120.719 0.170 . 983 118 118 LEU H H 9.921 0.038 . 984 118 118 LEU HA H 4.303 0.035 . 985 118 118 LEU HB2 H 3.369 0.000 . 986 118 118 LEU HB3 H 3.369 0.000 . 987 118 118 LEU HG H 1.179 0.000 . 988 118 118 LEU HD2 H 0.793 0.000 . 989 118 118 LEU C C 170.442 0.000 . 990 118 118 LEU CA C 52.252 0.231 . 991 118 118 LEU CB C 42.246 0.110 . 992 118 118 LEU CG C 26.101 0.003 . 993 118 118 LEU CD1 C 27.600 0.000 . 994 118 118 LEU CD2 C 20.800 0.000 . 995 118 118 LEU N N 130.105 0.312 . 996 119 119 HIS H H 8.654 0.023 . 997 119 119 HIS HA H 5.154 0.000 . 998 119 119 HIS HB2 H 2.339 0.000 . 999 119 119 HIS HB3 H 1.989 0.000 . 1000 119 119 HIS CA C 53.264 0.294 . 1001 119 119 HIS CB C 31.373 0.000 . 1002 119 119 HIS N N 123.206 0.000 . 1003 120 120 LEU H H 9.106 0.019 . 1004 120 120 LEU HA H 3.934 0.005 . 1005 120 120 LEU CA C 63.285 0.058 . 1006 120 120 LEU N N 126.051 0.127 . 1007 121 121 VAL H H 9.060 0.044 . 1008 121 121 VAL HA H 4.590 0.003 . 1009 121 121 VAL HB H 2.173 0.000 . 1010 121 121 VAL HG2 H 1.069 0.000 . 1011 121 121 VAL C C 175.044 0.177 . 1012 121 121 VAL CA C 60.247 0.247 . 1013 121 121 VAL CB C 31.152 0.000 . 1014 121 121 VAL CG1 C 19.800 0.000 . 1015 121 121 VAL CG2 C 18.648 0.000 . 1016 121 121 VAL N N 127.501 0.297 . 1017 122 122 HIS H H 8.547 0.118 . 1018 122 122 HIS HA H 4.698 0.084 . 1019 122 122 HIS HB2 H 2.964 0.000 . 1020 122 122 HIS HB3 H 2.964 0.000 . 1021 122 122 HIS CA C 53.192 0.283 . 1022 122 122 HIS CB C 30.765 0.048 . 1023 122 122 HIS N N 123.603 0.107 . 1024 123 123 TRP H H 9.516 0.135 . 1025 123 123 TRP HA H 5.191 0.000 . 1026 123 123 TRP HB2 H 3.314 0.000 . 1027 123 123 TRP HB3 H 3.019 0.000 . 1028 123 123 TRP C C 175.700 0.000 . 1029 123 123 TRP CA C 58.010 0.113 . 1030 123 123 TRP CB C 27.389 0.000 . 1031 123 123 TRP N N 119.077 0.026 . 1032 124 124 ASN H H 8.699 0.072 . 1033 124 124 ASN HA H 4.113 0.219 . 1034 124 124 ASN HB2 H 2.486 0.000 . 1035 124 124 ASN HB3 H 2.486 0.000 . 1036 124 124 ASN C C 175.723 0.000 . 1037 124 124 ASN CA C 53.733 0.281 . 1038 124 124 ASN CB C 39.047 0.000 . 1039 124 124 ASN N N 119.124 0.104 . 1040 125 125 THR H H 8.265 0.035 . 1041 125 125 THR HA H 4.163 0.036 . 1042 125 125 THR HB H 3.293 0.000 . 1043 125 125 THR HG2 H 0.740 0.000 . 1044 125 125 THR C C 177.036 0.030 . 1045 125 125 THR CA C 63.792 0.342 . 1046 125 125 THR CB C 68.449 0.048 . 1047 125 125 THR CG2 C 20.682 0.000 . 1048 125 125 THR N N 117.393 0.093 . 1049 126 126 LYS H H 7.903 0.030 . 1050 126 126 LYS HA H 3.872 0.016 . 1051 126 126 LYS HB2 H 1.759 0.000 . 1052 126 126 LYS HB3 H 1.759 0.000 . 1053 126 126 LYS HG2 H 0.912 0.000 . 1054 126 126 LYS HG3 H 0.912 0.000 . 1055 126 126 LYS HD2 H 1.382 0.000 . 1056 126 126 LYS HD3 H 1.382 0.000 . 1057 126 126 LYS HE2 H 2.651 0.000 . 1058 126 126 LYS HE3 H 2.651 0.000 . 1059 126 126 LYS C C 177.123 0.000 . 1060 126 126 LYS CA C 57.860 0.170 . 1061 126 126 LYS CB C 31.303 0.012 . 1062 126 126 LYS CG C 22.547 0.166 . 1063 126 126 LYS CD C 28.733 0.115 . 1064 126 126 LYS N N 123.115 0.137 . 1065 127 127 TYR H H 7.576 0.020 . 1066 127 127 TYR HA H 4.744 0.000 . 1067 127 127 TYR HB2 H 3.240 0.000 . 1068 127 127 TYR HB3 H 2.670 0.000 . 1069 127 127 TYR C C 177.268 0.000 . 1070 127 127 TYR CA C 56.567 0.108 . 1071 127 127 TYR CB C 37.350 0.088 . 1072 127 127 TYR N N 114.427 0.201 . 1073 128 128 GLY H H 9.008 0.045 . 1074 128 128 GLY HA2 H 3.926 0.170 . 1075 128 128 GLY HA3 H 4.436 0.000 . 1076 128 128 GLY C C 173.163 0.000 . 1077 128 128 GLY CA C 45.469 0.315 . 1078 128 128 GLY N N 103.769 0.155 . 1079 129 129 ASP H H 7.409 0.062 . 1080 129 129 ASP HA H 4.240 0.398 . 1081 129 129 ASP HB2 H 2.535 0.080 . 1082 129 129 ASP HB3 H 2.537 0.078 . 1083 129 129 ASP C C 173.730 0.000 . 1084 129 129 ASP CA C 53.052 0.256 . 1085 129 129 ASP CB C 43.442 0.099 . 1086 129 129 ASP N N 115.708 0.318 . 1087 130 130 PHE H H 7.423 0.018 . 1088 130 130 PHE HA H 4.652 0.000 . 1089 130 130 PHE HB2 H 2.523 0.000 . 1090 130 130 PHE HB3 H 2.523 0.000 . 1091 130 130 PHE C C 175.262 0.000 . 1092 130 130 PHE CA C 61.464 0.404 . 1093 130 130 PHE CB C 39.000 0.000 . 1094 130 130 PHE N N 119.849 0.239 . 1095 131 131 GLY H H 8.221 0.036 . 1096 131 131 GLY HA2 H 3.325 0.324 . 1097 131 131 GLY HA3 H 3.590 0.000 . 1098 131 131 GLY C C 176.863 0.091 . 1099 131 131 GLY CA C 45.857 0.171 . 1100 131 131 GLY N N 104.228 0.178 . 1101 132 132 LYS H H 7.775 0.022 . 1102 132 132 LYS HA H 4.114 0.021 . 1103 132 132 LYS HB2 H 2.017 0.000 . 1104 132 132 LYS HB3 H 2.017 0.000 . 1105 132 132 LYS HG2 H 1.372 0.000 . 1106 132 132 LYS HG3 H 1.372 0.000 . 1107 132 132 LYS HD2 H 1.805 0.000 . 1108 132 132 LYS HD3 H 1.805 0.000 . 1109 132 132 LYS HE2 H 3.159 0.000 . 1110 132 132 LYS HE3 H 3.159 0.000 . 1111 132 132 LYS C C 179.965 0.006 . 1112 132 132 LYS CA C 55.378 0.285 . 1113 132 132 LYS CB C 31.193 0.129 . 1114 132 132 LYS CG C 24.850 0.362 . 1115 132 132 LYS CD C 27.719 0.107 . 1116 132 132 LYS CE C 41.409 0.054 . 1117 132 132 LYS N N 119.144 0.257 . 1118 133 133 ALA H H 7.925 0.015 . 1119 133 133 ALA HA H 3.601 0.167 . 1120 133 133 ALA HB H 1.564 0.126 . 1121 133 133 ALA C C 179.249 0.063 . 1122 133 133 ALA CA C 55.046 0.116 . 1123 133 133 ALA CB C 17.852 0.059 . 1124 133 133 ALA N N 124.306 0.197 . 1125 134 134 VAL H H 7.389 0.021 . 1126 134 134 VAL HA H 3.910 0.095 . 1127 134 134 VAL HB H 1.823 0.000 . 1128 134 134 VAL HG2 H 0.167 0.000 . 1129 134 134 VAL C C 174.568 0.020 . 1130 134 134 VAL CA C 62.375 0.357 . 1131 134 134 VAL CB C 29.900 0.000 . 1132 134 134 VAL CG1 C 19.700 0.000 . 1133 134 134 VAL CG2 C 18.600 0.000 . 1134 134 134 VAL N N 106.903 0.195 . 1135 135 135 GLN H H 6.677 0.020 . 1136 135 135 GLN HA H 4.168 0.007 . 1137 135 135 GLN HB2 H 2.007 0.000 . 1138 135 135 GLN HB3 H 2.007 0.000 . 1139 135 135 GLN HG2 H 2.319 0.000 . 1140 135 135 GLN HG3 H 2.319 0.000 . 1141 135 135 GLN C C 174.567 0.025 . 1142 135 135 GLN CA C 54.278 0.168 . 1143 135 135 GLN CB C 28.061 0.174 . 1144 135 135 GLN CG C 33.259 0.157 . 1145 135 135 GLN N N 114.308 0.154 . 1146 136 136 GLN H H 7.472 0.020 . 1147 136 136 GLN HA H 4.737 0.014 . 1148 136 136 GLN HB2 H 2.007 0.000 . 1149 136 136 GLN HB3 H 1.897 0.000 . 1150 136 136 GLN HG2 H 2.301 0.000 . 1151 136 136 GLN HG3 H 2.301 0.000 . 1152 136 136 GLN C C 175.412 0.000 . 1153 136 136 GLN CA C 51.191 0.262 . 1154 136 136 GLN CB C 27.962 0.191 . 1155 136 136 GLN CG C 28.731 0.000 . 1156 136 136 GLN N N 117.717 0.187 . 1157 137 137 PRO CA C 64.300 0.000 . 1158 137 137 PRO CB C 31.200 0.000 . 1159 137 137 PRO CG C 27.200 0.000 . 1160 137 137 PRO CD C 49.800 0.000 . 1161 138 138 ASP H H 7.581 0.000 . 1162 138 138 ASP HA H 5.007 0.000 . 1163 138 138 ASP HB2 H 3.019 0.000 . 1164 138 138 ASP HB3 H 2.449 0.000 . 1165 138 138 ASP C C 177.279 0.000 . 1166 138 138 ASP CA C 50.723 0.053 . 1167 138 138 ASP CB C 37.350 0.000 . 1168 138 138 ASP N N 114.827 0.000 . 1169 139 139 GLY H H 7.680 0.026 . 1170 139 139 GLY HA3 H 4.946 0.000 . 1171 139 139 GLY C C 173.831 0.000 . 1172 139 139 GLY CA C 48.257 0.148 . 1173 139 139 GLY N N 106.522 0.204 . 1174 140 140 LEU H H 8.885 0.032 . 1175 140 140 LEU HA H 5.677 0.000 . 1176 140 140 LEU HB2 H 1.768 0.000 . 1177 140 140 LEU HB3 H 1.768 0.000 . 1178 140 140 LEU HG H 1.364 0.000 . 1179 140 140 LEU HD2 H 0.811 0.000 . 1180 140 140 LEU C C 176.622 0.000 . 1181 140 140 LEU CA C 52.490 0.224 . 1182 140 140 LEU CB C 46.573 0.000 . 1183 140 140 LEU CG C 27.400 0.000 . 1184 140 140 LEU CD1 C 24.000 0.000 . 1185 140 140 LEU CD2 C 24.000 0.000 . 1186 140 140 LEU N N 116.711 0.105 . 1187 141 141 ALA H H 8.578 0.004 . 1188 141 141 ALA HA H 4.817 0.000 . 1189 141 141 ALA HB H 1.241 0.000 . 1190 141 141 ALA CA C 50.338 0.027 . 1191 141 141 ALA CB C 21.477 0.014 . 1192 141 141 ALA N N 125.508 0.058 . 1193 142 142 VAL H H 6.964 0.034 . 1194 142 142 VAL HA H 4.724 0.051 . 1195 142 142 VAL CA C 59.387 0.208 . 1196 142 142 VAL N N 124.542 0.218 . 1197 143 143 LEU H H 8.529 0.000 . 1198 143 143 LEU CA C 53.268 0.000 . 1199 143 143 LEU N N 130.272 0.000 . 1200 144 144 GLY H H 9.948 0.026 . 1201 144 144 GLY CA C 43.373 0.093 . 1202 144 144 GLY N N 113.708 0.066 . 1203 145 145 ILE H H 9.194 0.000 . 1204 145 145 ILE CA C 59.020 0.000 . 1205 145 145 ILE N N 126.398 0.000 . 1206 146 146 PHE H H 9.649 0.020 . 1207 146 146 PHE HA H 5.154 0.000 . 1208 146 146 PHE HB2 H 2.081 0.000 . 1209 146 146 PHE HB3 H 2.081 0.000 . 1210 146 146 PHE C C 173.763 0.000 . 1211 146 146 PHE CA C 60.466 0.040 . 1212 146 146 PHE CB C 32.866 0.000 . 1213 146 146 PHE N N 127.967 0.129 . 1214 147 147 LEU H H 8.438 0.052 . 1215 147 147 LEU HA H 4.289 0.000 . 1216 147 147 LEU HB2 H 1.970 0.000 . 1217 147 147 LEU HB3 H 1.970 0.000 . 1218 147 147 LEU HG H 1.603 0.000 . 1219 147 147 LEU HD2 H 0.923 0.000 . 1220 147 147 LEU C C 174.820 0.089 . 1221 147 147 LEU CA C 59.820 0.223 . 1222 147 147 LEU CB C 29.656 0.000 . 1223 147 147 LEU CG C 29.700 0.000 . 1224 147 147 LEU CD1 C 26.700 0.000 . 1225 147 147 LEU CD2 C 23.400 0.000 . 1226 147 147 LEU N N 119.603 0.085 . 1227 148 148 LYS H H 9.036 0.037 . 1228 148 148 LYS HA H 4.794 0.173 . 1229 148 148 LYS HB2 H 1.860 0.000 . 1230 148 148 LYS HB3 H 1.860 0.000 . 1231 148 148 LYS HG2 H 1.236 0.000 . 1232 148 148 LYS HG3 H 1.236 0.000 . 1233 148 148 LYS HD2 H 1.529 0.000 . 1234 148 148 LYS HD3 H 1.529 0.000 . 1235 148 148 LYS C C 174.175 0.032 . 1236 148 148 LYS CA C 51.031 0.671 . 1237 148 148 LYS CB C 36.022 0.000 . 1238 148 148 LYS CG C 23.200 0.000 . 1239 148 148 LYS CD C 29.100 0.000 . 1240 148 148 LYS CE C 41.500 0.000 . 1241 148 148 LYS N N 119.086 0.228 . 1242 149 149 VAL H H 8.561 0.049 . 1243 149 149 VAL HA H 4.667 0.014 . 1244 149 149 VAL HB H 1.933 0.000 . 1245 149 149 VAL HG2 H 0.388 0.000 . 1246 149 149 VAL C C 177.305 0.278 . 1247 149 149 VAL CA C 62.107 0.054 . 1248 149 149 VAL CB C 30.500 0.000 . 1249 149 149 VAL CG1 C 20.400 0.000 . 1250 149 149 VAL CG2 C 20.400 0.000 . 1251 149 149 VAL N N 121.842 0.186 . 1252 150 150 GLY H H 9.321 0.038 . 1253 150 150 GLY HA2 H 3.844 0.000 . 1254 150 150 GLY HA3 H 3.876 0.046 . 1255 150 150 GLY C C 172.619 0.194 . 1256 150 150 GLY CA C 46.796 0.195 . 1257 150 150 GLY N N 118.294 0.112 . 1258 151 151 SER H H 8.666 0.086 . 1259 151 151 SER HA H 4.317 0.014 . 1260 151 151 SER HB2 H 3.829 0.000 . 1261 151 151 SER HB3 H 3.829 0.000 . 1262 151 151 SER C C 172.358 0.000 . 1263 151 151 SER CA C 58.092 0.136 . 1264 151 151 SER CB C 63.543 0.000 . 1265 151 151 SER N N 126.783 0.214 . 1266 152 152 ALA H H 8.360 0.030 . 1267 152 152 ALA HA H 4.029 0.035 . 1268 152 152 ALA HB H 1.236 0.000 . 1269 152 152 ALA C C 177.300 0.000 . 1270 152 152 ALA CA C 51.728 0.116 . 1271 152 152 ALA CB C 18.978 0.000 . 1272 152 152 ALA N N 119.532 0.238 . 1273 153 153 LYS H H 8.587 0.023 . 1274 153 153 LYS HA H 4.630 0.117 . 1275 153 153 LYS HB2 H 2.099 0.000 . 1276 153 153 LYS HB3 H 2.099 0.000 . 1277 153 153 LYS HG2 H 1.345 0.000 . 1278 153 153 LYS HG3 H 1.345 0.000 . 1279 153 153 LYS HD2 H 1.644 0.000 . 1280 153 153 LYS HD3 H 1.644 0.000 . 1281 153 153 LYS HE2 H 2.962 0.000 . 1282 153 153 LYS HE3 H 2.962 0.000 . 1283 153 153 LYS C C 175.201 0.000 . 1284 153 153 LYS CA C 51.443 0.084 . 1285 153 153 LYS CB C 31.800 0.000 . 1286 153 153 LYS CG C 23.600 0.000 . 1287 153 153 LYS CD C 58.400 0.000 . 1288 153 153 LYS N N 122.501 0.122 . 1289 155 155 GLY H H 8.514 0.044 . 1290 155 155 GLY C C 171.572 0.000 . 1291 155 155 GLY CA C 45.298 0.186 . 1292 155 155 GLY N N 104.640 0.221 . 1293 156 156 LEU H H 7.300 0.040 . 1294 156 156 LEU HA H 4.591 0.000 . 1295 156 156 LEU HB2 H 1.952 0.000 . 1296 156 156 LEU HB3 H 1.952 0.000 . 1297 156 156 LEU HG H 1.290 0.000 . 1298 156 156 LEU HD2 H 0.848 0.000 . 1299 156 156 LEU C C 177.753 0.000 . 1300 156 156 LEU CA C 53.239 0.240 . 1301 156 156 LEU CB C 37.350 0.000 . 1302 156 156 LEU CG C 26.400 0.000 . 1303 156 156 LEU CD1 C 24.800 0.000 . 1304 156 156 LEU CD2 C 23.300 0.000 . 1305 156 156 LEU N N 116.349 0.067 . 1306 157 157 GLN H H 7.818 0.030 . 1307 157 157 GLN HA H 3.738 0.005 . 1308 157 157 GLN HB2 H 1.996 0.000 . 1309 157 157 GLN HB3 H 1.996 0.000 . 1310 157 157 GLN C C 176.457 0.052 . 1311 157 157 GLN CA C 58.641 0.239 . 1312 157 157 GLN CB C 26.504 0.000 . 1313 157 157 GLN CG C 32.300 0.000 . 1314 157 157 GLN N N 121.997 0.037 . 1315 158 158 LYS H H 8.717 0.020 . 1316 158 158 LYS HA H 4.326 0.170 . 1317 158 158 LYS HB2 H 2.191 0.000 . 1318 158 158 LYS HB3 H 2.191 0.000 . 1319 158 158 LYS HG2 H 1.676 0.000 . 1320 158 158 LYS HG3 H 1.676 0.000 . 1321 158 158 LYS HD2 H 1.419 0.000 . 1322 158 158 LYS HD3 H 1.419 0.000 . 1323 158 158 LYS HE2 H 2.925 0.000 . 1324 158 158 LYS HE3 H 2.925 0.000 . 1325 158 158 LYS C C 179.496 0.000 . 1326 158 158 LYS CA C 57.978 0.018 . 1327 158 158 LYS CB C 32.700 0.000 . 1328 158 158 LYS CG C 24.900 0.000 . 1329 158 158 LYS CD C 28.300 0.000 . 1330 158 158 LYS CE C 41.400 0.000 . 1331 158 158 LYS N N 115.622 0.000 . 1332 159 159 VAL H H 7.183 0.012 . 1333 159 159 VAL HA H 3.230 0.200 . 1334 159 159 VAL HB H 2.339 0.000 . 1335 159 159 VAL HG2 H 0.848 0.000 . 1336 159 159 VAL C C 175.919 0.083 . 1337 159 159 VAL CA C 63.950 0.131 . 1338 159 159 VAL CB C 31.100 0.000 . 1339 159 159 VAL CG1 C 21.700 0.000 . 1340 159 159 VAL CG2 C 21.700 0.000 . 1341 159 159 VAL N N 114.139 0.138 . 1342 160 160 VAL H H 7.238 0.041 . 1343 160 160 VAL HA H 3.609 0.368 . 1344 160 160 VAL HB H 2.007 0.000 . 1345 160 160 VAL HG2 H 0.866 0.000 . 1346 160 160 VAL C C 177.297 0.036 . 1347 160 160 VAL CA C 64.095 0.214 . 1348 160 160 VAL CB C 30.488 0.000 . 1349 160 160 VAL CG1 C 21.400 0.000 . 1350 160 160 VAL CG2 C 21.400 0.000 . 1351 160 160 VAL N N 114.137 0.055 . 1352 161 161 ASP H H 8.261 0.099 . 1353 161 161 ASP HA H 4.359 0.039 . 1354 161 161 ASP HB2 H 2.670 0.000 . 1355 161 161 ASP HB3 H 2.670 0.000 . 1356 161 161 ASP C C 176.867 0.037 . 1357 161 161 ASP CA C 56.457 0.256 . 1358 161 161 ASP CB C 40.818 0.000 . 1359 161 161 ASP N N 117.120 0.186 . 1360 162 162 VAL H H 7.085 0.077 . 1361 162 162 VAL HA H 3.294 0.000 . 1362 162 162 VAL HB H 2.055 0.000 . 1363 162 162 VAL HG2 H 0.905 0.000 . 1364 162 162 VAL C C 176.880 0.000 . 1365 162 162 VAL CA C 64.090 0.201 . 1366 162 162 VAL CB C 30.709 0.000 . 1367 162 162 VAL CG1 C 20.400 0.000 . 1368 162 162 VAL CG2 C 20.400 0.000 . 1369 162 162 VAL N N 113.661 0.077 . 1370 163 163 LEU H H 7.009 0.026 . 1371 163 163 LEU HA H 3.432 0.111 . 1372 163 163 LEU HB2 H 1.823 0.000 . 1373 163 163 LEU HB3 H 1.823 0.000 . 1374 163 163 LEU HG H 1.621 0.000 . 1375 163 163 LEU HD2 H -0.532 0.000 . 1376 163 163 LEU C C 178.283 0.000 . 1377 163 163 LEU CA C 56.853 0.321 . 1378 163 163 LEU CB C 39.100 0.000 . 1379 163 163 LEU CG C 24.107 0.026 . 1380 163 163 LEU CD1 C 19.500 0.000 . 1381 163 163 LEU CD2 C 19.500 0.000 . 1382 163 163 LEU N N 120.434 0.116 . 1383 164 164 ASP H H 7.936 0.021 . 1384 164 164 ASP HA H 4.591 0.232 . 1385 164 164 ASP HB2 H 2.503 0.000 . 1386 164 164 ASP HB3 H 2.503 0.000 . 1387 164 164 ASP C C 177.653 0.000 . 1388 164 164 ASP CA C 56.088 0.229 . 1389 164 164 ASP CB C 40.080 0.000 . 1390 164 164 ASP N N 115.548 0.153 . 1391 165 165 SER H H 8.040 0.023 . 1392 165 165 SER HA H 4.451 0.000 . 1393 165 165 SER HB2 H 3.917 0.000 . 1394 165 165 SER HB3 H 3.917 0.000 . 1395 165 165 SER C C 174.333 0.067 . 1396 165 165 SER CA C 59.441 0.242 . 1397 165 165 SER CB C 63.839 0.000 . 1398 165 165 SER N N 113.257 0.155 . 1399 166 166 ILE H H 7.372 0.029 . 1400 166 166 ILE HA H 4.712 0.000 . 1401 166 166 ILE HB H 1.842 0.000 . 1402 166 166 ILE HG2 H 1.474 0.000 . 1403 166 166 ILE HD1 H 0.443 0.000 . 1404 166 166 ILE C C 174.570 0.086 . 1405 166 166 ILE CA C 59.487 0.165 . 1406 166 166 ILE CB C 37.300 0.000 . 1407 166 166 ILE CG2 C 17.600 0.000 . 1408 166 166 ILE CD1 C 15.700 0.000 . 1409 166 166 ILE N N 115.857 0.378 . 1410 167 167 LYS H H 7.460 0.085 . 1411 167 167 LYS HA H 3.828 0.015 . 1412 167 167 LYS HB2 H 1.805 0.000 . 1413 167 167 LYS HB3 H 1.805 0.000 . 1414 167 167 LYS HG2 H 1.364 0.000 . 1415 167 167 LYS HG3 H 1.364 0.000 . 1416 167 167 LYS HD2 H 1.493 0.000 . 1417 167 167 LYS HD3 H 1.493 0.000 . 1418 167 167 LYS HE2 H 3.017 0.000 . 1419 167 167 LYS HE3 H 3.017 0.000 . 1420 167 167 LYS C C 175.500 0.000 . 1421 167 167 LYS CA C 60.160 0.255 . 1422 167 167 LYS CB C 32.900 0.000 . 1423 167 167 LYS CG C 24.100 0.000 . 1424 167 167 LYS CD C 28.600 0.000 . 1425 167 167 LYS CE C 41.400 0.000 . 1426 167 167 LYS N N 117.111 0.151 . 1427 168 168 THR H H 6.608 0.033 . 1428 168 168 THR HA H 4.599 0.068 . 1429 168 168 THR HB H 3.921 0.000 . 1430 168 168 THR HG2 H 0.995 0.000 . 1431 168 168 THR C C 173.807 0.000 . 1432 168 168 THR CA C 58.020 0.381 . 1433 168 168 THR CB C 71.291 0.000 . 1434 168 168 THR CG2 C 21.800 0.000 . 1435 168 168 THR N N 118.879 19.336 . 1436 169 169 LYS H H 7.444 0.036 . 1437 169 169 LYS HA H 4.552 0.019 . 1438 169 169 LYS HB2 H 1.908 0.000 . 1439 169 169 LYS HB3 H 1.805 0.000 . 1440 169 169 LYS HG2 H 1.052 0.000 . 1441 169 169 LYS HG3 H 1.052 0.000 . 1442 169 169 LYS HD2 H 1.658 0.000 . 1443 169 169 LYS HD3 H 1.658 0.000 . 1444 169 169 LYS HE2 H 3.274 0.000 . 1445 169 169 LYS HE3 H 3.274 0.000 . 1446 169 169 LYS C C 177.673 0.210 . 1447 169 169 LYS CA C 57.445 0.214 . 1448 169 169 LYS CB C 31.100 0.000 . 1449 169 169 LYS CG C 23.100 0.000 . 1450 169 169 LYS CD C 28.500 0.000 . 1451 169 169 LYS CE C 40.900 0.000 . 1452 169 169 LYS N N 120.305 0.154 . 1453 170 170 GLY H H 9.157 0.048 . 1454 170 170 GLY HA2 H 3.443 0.000 . 1455 170 170 GLY HA3 H 4.528 0.000 . 1456 170 170 GLY C C 175.389 0.215 . 1457 170 170 GLY CA C 44.336 0.226 . 1458 170 170 GLY N N 117.191 0.159 . 1459 171 171 LYS H H 7.870 0.029 . 1460 171 171 LYS HA H 4.445 0.051 . 1461 171 171 LYS HB2 H 1.970 0.000 . 1462 171 171 LYS HB3 H 1.970 0.000 . 1463 171 171 LYS HG2 H 1.401 0.000 . 1464 171 171 LYS HG3 H 1.401 0.000 . 1465 171 171 LYS HD2 H 1.603 0.000 . 1466 171 171 LYS HD3 H 1.603 0.000 . 1467 171 171 LYS HE2 H 3.035 0.000 . 1468 171 171 LYS HE3 H 3.035 0.000 . 1469 171 171 LYS C C 176.669 0.000 . 1470 171 171 LYS CA C 55.528 0.161 . 1471 171 171 LYS CB C 32.829 0.000 . 1472 171 171 LYS CG C 24.900 0.000 . 1473 171 171 LYS CD C 27.700 0.000 . 1474 171 171 LYS CE C 41.700 0.000 . 1475 171 171 LYS N N 120.268 0.318 . 1476 172 172 SER H H 8.583 0.044 . 1477 172 172 SER HA H 4.510 0.000 . 1478 172 172 SER HB2 H 3.664 0.000 . 1479 172 172 SER HB3 H 3.664 0.000 . 1480 172 172 SER C C 173.125 0.000 . 1481 172 172 SER CA C 55.671 0.314 . 1482 172 172 SER CB C 67.528 0.000 . 1483 172 172 SER N N 113.959 0.136 . 1484 173 173 ALA H H 8.894 0.050 . 1485 173 173 ALA HA H 5.150 0.139 . 1486 173 173 ALA HB H 1.254 0.000 . 1487 173 173 ALA C C 175.924 0.132 . 1488 173 173 ALA CA C 50.417 0.313 . 1489 173 173 ALA CB C 21.100 0.000 . 1490 173 173 ALA N N 121.802 0.268 . 1491 174 174 ASP H H 8.778 0.067 . 1492 174 174 ASP HA H 4.938 0.232 . 1493 174 174 ASP HB2 H 2.596 0.000 . 1494 174 174 ASP HB3 H 2.596 0.000 . 1495 174 174 ASP C C 175.216 0.041 . 1496 174 174 ASP CA C 55.833 0.239 . 1497 174 174 ASP CB C 41.629 0.000 . 1498 174 174 ASP N N 121.095 0.189 . 1499 175 175 PHE H H 7.967 0.028 . 1500 175 175 PHE HA H 4.566 0.079 . 1501 175 175 PHE HB2 H 2.596 0.000 . 1502 175 175 PHE HB3 H 2.596 0.000 . 1503 175 175 PHE C C 173.394 0.000 . 1504 175 175 PHE CA C 57.393 0.159 . 1505 175 175 PHE CB C 38.973 0.000 . 1506 175 175 PHE N N 125.632 0.240 . 1507 176 176 THR H H 7.973 0.071 . 1508 176 176 THR HA H 4.748 0.000 . 1509 176 176 THR HB H 4.252 0.000 . 1510 176 176 THR HG2 H 1.180 0.000 . 1511 176 176 THR C C 174.293 0.048 . 1512 176 176 THR CA C 59.445 0.179 . 1513 176 176 THR CB C 71.734 0.000 . 1514 176 176 THR CG2 C 21.200 0.000 . 1515 176 176 THR N N 113.030 0.088 . 1516 177 177 ASN H H 10.116 0.042 . 1517 177 177 ASN HA H 4.311 0.000 . 1518 177 177 ASN HB2 H 2.854 0.000 . 1519 177 177 ASN HB3 H 2.854 0.000 . 1520 177 177 ASN C C 173.594 0.000 . 1521 177 177 ASN CA C 54.902 0.323 . 1522 177 177 ASN CB C 37.350 0.000 . 1523 177 177 ASN N N 113.463 0.139 . 1524 178 178 PHE H H 8.334 0.042 . 1525 178 178 PHE HA H 4.513 0.045 . 1526 178 178 PHE HB2 H 2.707 0.000 . 1527 178 178 PHE HB3 H 2.707 0.000 . 1528 178 178 PHE C C 174.039 0.207 . 1529 178 178 PHE CA C 57.751 0.174 . 1530 178 178 PHE CB C 40.300 0.000 . 1531 178 178 PHE N N 118.727 0.095 . 1532 179 179 ASP H H 8.157 0.079 . 1533 179 179 ASP HA H 4.937 0.014 . 1534 179 179 ASP HB2 H 2.651 0.000 . 1535 179 179 ASP HB3 H 2.651 0.000 . 1536 179 179 ASP C C 175.257 0.000 . 1537 179 179 ASP CA C 48.997 0.312 . 1538 179 179 ASP CB C 41.777 0.000 . 1539 179 179 ASP N N 128.832 0.170 . 1540 180 180 PRO C C 175.216 0.000 . 1541 180 180 PRO CA C 63.286 0.256 . 1542 180 180 PRO CB C 30.400 0.000 . 1543 180 180 PRO CG C 25.900 0.000 . 1544 180 180 PRO CD C 49.800 0.000 . 1545 181 181 ARG H H 8.409 0.075 . 1546 181 181 ARG HA H 4.250 0.000 . 1547 181 181 ARG HB2 H 1.897 0.000 . 1548 181 181 ARG HB3 H 1.897 0.000 . 1549 181 181 ARG HG2 H 1.547 0.000 . 1550 181 181 ARG HG3 H 1.547 0.000 . 1551 181 181 ARG HD2 H 3.332 0.000 . 1552 181 181 ARG HD3 H 3.332 0.000 . 1553 181 181 ARG C C 172.192 0.067 . 1554 181 181 ARG CA C 59.193 0.332 . 1555 181 181 ARG CB C 28.791 0.000 . 1556 181 181 ARG CG C 27.400 0.000 . 1557 181 181 ARG CD C 42.800 0.000 . 1558 181 181 ARG CZ C 160.100 0.000 . 1559 181 181 ARG N N 117.937 0.120 . 1560 182 182 GLY H H 7.068 0.018 . 1561 182 182 GLY HA2 H 3.792 0.000 . 1562 182 182 GLY HA3 H 4.046 0.000 . 1563 182 182 GLY C C 173.216 0.000 . 1564 182 182 GLY CA C 45.475 0.107 . 1565 182 182 GLY N N 103.042 0.102 . 1566 183 183 LEU H H 7.145 0.028 . 1567 183 183 LEU HA H 4.379 0.095 . 1568 183 183 LEU HB2 H 1.614 0.000 . 1569 183 183 LEU HB3 H 1.614 0.000 . 1570 183 183 LEU HG H 1.437 0.000 . 1571 183 183 LEU HD2 H 0.756 0.000 . 1572 183 183 LEU C C 172.964 0.000 . 1573 183 183 LEU CA C 53.227 0.119 . 1574 183 183 LEU CB C 41.000 0.000 . 1575 183 183 LEU CG C 25.900 0.000 . 1576 183 183 LEU CD1 C 24.700 0.000 . 1577 183 183 LEU CD2 C 21.700 0.000 . 1578 183 183 LEU N N 116.528 0.116 . 1579 184 184 LEU H H 6.394 0.048 . 1580 184 184 LEU HA H 4.537 0.006 . 1581 184 184 LEU HB2 H 1.768 0.000 . 1582 184 184 LEU HB3 H 1.768 0.000 . 1583 184 184 LEU HG H 1.455 0.000 . 1584 184 184 LEU HD1 H 0.811 0.000 . 1585 184 184 LEU HD2 H 0.811 0.000 . 1586 184 184 LEU C C 176.023 0.000 . 1587 184 184 LEU CA C 52.079 0.407 . 1588 184 184 LEU CB C 40.600 0.000 . 1589 184 184 LEU CG C 26.300 0.000 . 1590 184 184 LEU N N 111.612 0.166 . 1591 185 185 PRO CA C 61.965 0.000 . 1592 186 186 GLU H H 8.228 0.000 . 1593 186 186 GLU CA C 58.387 0.000 . 1594 186 186 GLU N N 118.534 0.000 . 1595 187 187 SER H H 7.655 0.030 . 1596 187 187 SER HA H 4.571 0.083 . 1597 187 187 SER HB2 H 3.792 0.000 . 1598 187 187 SER HB3 H 3.792 0.000 . 1599 187 187 SER C C 176.258 0.160 . 1600 187 187 SER CA C 55.803 0.209 . 1601 187 187 SER CB C 64.208 0.000 . 1602 187 187 SER N N 108.111 0.111 . 1603 188 188 LEU H H 8.877 0.025 . 1604 188 188 LEU HA H 4.550 0.067 . 1605 188 188 LEU HB2 H 1.660 0.000 . 1606 188 188 LEU HB3 H 1.660 0.000 . 1607 188 188 LEU HG H 1.474 0.000 . 1608 188 188 LEU HD2 H 0.795 0.000 . 1609 188 188 LEU C C 176.092 0.000 . 1610 188 188 LEU CA C 52.930 0.227 . 1611 188 188 LEU CB C 40.228 0.000 . 1612 188 188 LEU CG C 26.000 0.000 . 1613 188 188 LEU CD1 C 24.700 0.000 . 1614 188 188 LEU CD2 C 21.900 0.000 . 1615 188 188 LEU N N 123.657 0.000 . 1616 189 189 ASP H H 7.702 0.043 . 1617 189 189 ASP HA H 4.200 0.042 . 1618 189 189 ASP HB2 H 1.934 0.000 . 1619 189 189 ASP HB3 H 1.934 0.000 . 1620 189 189 ASP C C 176.515 0.015 . 1621 189 189 ASP CA C 55.439 0.234 . 1622 189 189 ASP CB C 39.700 0.000 . 1623 189 189 ASP N N 121.989 0.094 . 1624 190 190 TYR H H 8.538 0.014 . 1625 190 190 TYR HA H 4.609 0.086 . 1626 190 190 TYR HB2 H 3.332 0.000 . 1627 190 190 TYR HB3 H 2.909 0.000 . 1628 190 190 TYR C C 172.443 0.054 . 1629 190 190 TYR CA C 56.419 0.296 . 1630 190 190 TYR CB C 42.515 0.000 . 1631 190 190 TYR N N 118.099 0.040 . 1632 191 191 TRP H H 9.385 0.094 . 1633 191 191 TRP HA H 4.990 0.340 . 1634 191 191 TRP HB2 H 3.017 0.000 . 1635 191 191 TRP HB3 H 3.017 0.000 . 1636 191 191 TRP C C 176.679 0.172 . 1637 191 191 TRP CA C 57.130 0.079 . 1638 191 191 TRP CB C 30.709 0.000 . 1639 191 191 TRP N N 116.486 0.092 . 1640 192 192 THR H H 9.707 0.019 . 1641 192 192 THR HA H 4.321 0.000 . 1642 192 192 THR HB H 4.211 0.000 . 1643 192 192 THR HG2 H 1.309 0.000 . 1644 192 192 THR C C 170.470 0.000 . 1645 192 192 THR CA C 57.831 0.193 . 1646 192 192 THR CB C 70.300 0.000 . 1647 192 192 THR CG2 C 18.300 0.000 . 1648 192 192 THR N N 114.705 0.156 . 1649 193 193 TYR H H 7.973 0.027 . 1650 193 193 TYR HA H 4.191 0.031 . 1651 193 193 TYR HB2 H 3.719 0.000 . 1652 193 193 TYR HB3 H 3.719 0.000 . 1653 193 193 TYR C C 170.848 0.000 . 1654 193 193 TYR CA C 55.313 0.079 . 1655 193 193 TYR CB C 38.200 0.000 . 1656 193 193 TYR N N 124.809 0.172 . 1657 194 194 PRO C C 176.328 0.000 . 1658 194 194 PRO CA C 45.761 0.000 . 1659 194 194 PRO CB C 30.119 0.000 . 1660 194 194 PRO CG C 27.000 0.000 . 1661 194 194 PRO CD C 50.000 0.000 . 1662 195 195 GLY H H 9.376 0.027 . 1663 195 195 GLY C C 173.816 0.000 . 1664 195 195 GLY CA C 45.480 0.286 . 1665 195 195 GLY N N 110.337 0.062 . 1666 196 196 SER H H 8.768 0.026 . 1667 196 196 SER HA H 4.762 0.000 . 1668 196 196 SER HB2 H 3.553 0.000 . 1669 196 196 SER HB3 H 3.539 0.020 . 1670 196 196 SER C C 175.303 0.110 . 1671 196 196 SER CA C 57.146 0.372 . 1672 196 196 SER CB C 70.200 0.300 . 1673 196 196 SER N N 121.060 0.132 . 1674 197 197 LEU H H 7.921 0.000 . 1675 197 197 LEU HA H 4.420 0.000 . 1676 197 197 LEU HB2 H 1.934 0.000 . 1677 197 197 LEU HB3 H 1.934 0.000 . 1678 197 197 LEU HG H 1.648 0.000 . 1679 197 197 LEU HD1 H 0.887 0.000 . 1680 197 197 LEU HD2 H 0.887 0.000 . 1681 197 197 LEU C C 179.298 0.000 . 1682 197 197 LEU CA C 55.206 0.001 . 1683 197 197 LEU CB C 42.441 0.000 . 1684 197 197 LEU CG C 33.200 0.000 . 1685 197 197 LEU N N 117.852 0.000 . 1686 198 198 THR H H 8.698 0.000 . 1687 198 198 THR HA H 4.363 0.000 . 1688 198 198 THR HG1 H 5.897 0.000 . 1689 198 198 THR HG2 H 0.903 0.000 . 1690 198 198 THR C C 173.349 0.000 . 1691 198 198 THR CA C 62.068 0.006 . 1692 198 198 THR CB C 67.176 0.341 . 1693 198 198 THR N N 111.231 0.195 . 1694 199 199 THR H H 7.080 0.104 . 1695 199 199 THR HA H 4.510 0.136 . 1696 199 199 THR HB H 3.915 0.000 . 1697 199 199 THR HG2 H 1.401 0.000 . 1698 199 199 THR C C 173.694 0.000 . 1699 199 199 THR CA C 56.295 0.143 . 1700 199 199 THR CB C 68.626 0.000 . 1701 199 199 THR CG2 C 21.275 0.000 . 1702 199 199 THR N N 108.352 0.284 . 1703 201 201 PRO C C 174.847 0.000 . 1704 201 201 PRO CA C 63.726 0.060 . 1705 201 201 PRO CB C 32.900 0.000 . 1706 201 201 PRO CG C 24.400 0.000 . 1707 201 201 PRO CD C 49.300 0.000 . 1708 202 202 LEU H H 9.113 0.028 . 1709 202 202 LEU HA H 3.619 0.019 . 1710 202 202 LEU HB2 H 1.750 0.000 . 1711 202 202 LEU HB3 H 1.750 0.000 . 1712 202 202 LEU HG H 1.621 0.000 . 1713 202 202 LEU HD2 H 0.850 0.000 . 1714 202 202 LEU C C 173.255 0.000 . 1715 202 202 LEU CA C 56.791 0.341 . 1716 202 202 LEU CB C 36.022 0.000 . 1717 202 202 LEU CG C 25.342 0.000 . 1718 202 202 LEU CD2 C 20.428 0.000 . 1719 202 202 LEU N N 120.071 0.085 . 1720 203 203 LEU H H 5.911 0.034 . 1721 203 203 LEU HA H 3.898 0.000 . 1722 203 203 LEU HB2 H 1.695 0.000 . 1723 203 203 LEU HB3 H 1.695 0.000 . 1724 203 203 LEU HG H 1.603 0.000 . 1725 203 203 LEU HD2 H 0.831 0.000 . 1726 203 203 LEU C C 178.145 0.000 . 1727 203 203 LEU CA C 54.967 0.299 . 1728 203 203 LEU CB C 41.187 0.000 . 1729 203 203 LEU CG C 26.500 0.000 . 1730 203 203 LEU CD1 C 24.200 0.000 . 1731 203 203 LEU CD2 C 21.000 0.000 . 1732 203 203 LEU N N 111.056 0.207 . 1733 204 204 GLU H H 8.767 0.019 . 1734 204 204 GLU HA H 4.001 0.014 . 1735 204 204 GLU HB2 H 1.952 0.000 . 1736 204 204 GLU HB3 H 1.952 0.000 . 1737 204 204 GLU HG2 H 2.044 0.000 . 1738 204 204 GLU HG3 H 2.044 0.000 . 1739 204 204 GLU C C 175.450 0.000 . 1740 204 204 GLU CA C 55.217 0.254 . 1741 204 204 GLU CB C 26.000 0.000 . 1742 204 204 GLU CG C 37.289 0.000 . 1743 204 204 GLU N N 124.546 0.067 . 1744 205 205 CYS H H 7.621 0.026 . 1745 205 205 CYS HA H 4.264 0.034 . 1746 205 205 CYS HB2 H 3.237 0.000 . 1747 205 205 CYS HB3 H 3.237 0.000 . 1748 205 205 CYS C C 173.165 0.124 . 1749 205 205 CYS CA C 55.004 0.147 . 1750 205 205 CYS CB C 31.595 0.000 . 1751 205 205 CYS N N 113.401 0.243 . 1752 206 206 VAL H H 7.218 0.031 . 1753 206 206 VAL HA H 4.019 0.025 . 1754 206 206 VAL HB H 1.952 0.000 . 1755 206 206 VAL HG2 H 0.758 0.000 . 1756 206 206 VAL C C 175.707 0.000 . 1757 206 206 VAL CA C 61.445 0.115 . 1758 206 206 VAL CB C 35.100 0.000 . 1759 206 206 VAL CG1 C 22.500 0.000 . 1760 206 206 VAL CG2 C 19.600 0.000 . 1761 206 206 VAL N N 119.534 0.171 . 1762 207 207 THR H H 8.418 0.002 . 1763 207 207 THR HA H 5.048 0.000 . 1764 207 207 THR HB H 3.715 0.000 . 1765 207 207 THR HG2 H 1.327 0.000 . 1766 207 207 THR C C 175.516 0.000 . 1767 207 207 THR CA C 62.800 0.119 . 1768 207 207 THR CB C 67.700 0.000 . 1769 207 207 THR CG2 C 20.600 0.000 . 1770 207 207 THR N N 124.494 0.045 . 1771 208 208 TRP H H 8.252 0.018 . 1772 208 208 TRP HA H 3.932 0.000 . 1773 208 208 TRP HB2 H 2.449 0.000 . 1774 208 208 TRP HB3 H 2.449 0.000 . 1775 208 208 TRP C C 176.577 0.000 . 1776 208 208 TRP CA C 58.328 0.172 . 1777 208 208 TRP CB C 30.500 0.000 . 1778 208 208 TRP N N 129.103 0.071 . 1779 209 209 ILE H H 8.503 0.028 . 1780 209 209 ILE HA H 4.734 0.142 . 1781 209 209 ILE HB H 1.805 0.000 . 1782 209 209 ILE HG12 H 1.142 0.000 . 1783 209 209 ILE HG13 H 1.142 0.000 . 1784 209 209 ILE HG2 H 0.811 0.000 . 1785 209 209 ILE HD1 H 0.351 0.000 . 1786 209 209 ILE C C 172.700 0.183 . 1787 209 209 ILE CA C 54.957 0.242 . 1788 209 209 ILE CB C 38.700 0.000 . 1789 209 209 ILE CG1 C 26.100 0.000 . 1790 209 209 ILE CG2 C 17.700 0.000 . 1791 209 209 ILE CD1 C 13.400 0.000 . 1792 209 209 ILE N N 125.621 0.086 . 1793 210 210 VAL H H 8.678 0.046 . 1794 210 210 VAL HA H 4.101 0.000 . 1795 210 210 VAL HB H 2.154 0.000 . 1796 210 210 VAL HG1 H 0.682 0.000 . 1797 210 210 VAL HG2 H 0.682 0.000 . 1798 210 210 VAL C C 175.832 0.203 . 1799 210 210 VAL CA C 54.427 0.534 . 1800 210 210 VAL CB C 30.931 0.000 . 1801 210 210 VAL N N 123.853 0.027 . 1802 211 211 LEU H H 8.836 0.043 . 1803 211 211 LEU HA H 4.182 0.158 . 1804 211 211 LEU HB2 H 2.007 0.000 . 1805 211 211 LEU HB3 H 2.007 0.000 . 1806 211 211 LEU HG H 0.793 0.000 . 1807 211 211 LEU HD2 H 0.462 0.000 . 1808 211 211 LEU C C 175.601 0.039 . 1809 211 211 LEU CA C 56.856 0.251 . 1810 211 211 LEU CB C 38.806 0.000 . 1811 211 211 LEU CG C 26.400 0.000 . 1812 211 211 LEU CD1 C 22.600 0.000 . 1813 211 211 LEU CD2 C 22.600 0.000 . 1814 211 211 LEU N N 125.706 0.021 . 1815 212 212 LYS H H 7.456 0.050 . 1816 212 212 LYS HA H 4.751 0.000 . 1817 212 212 LYS HB2 H 1.933 0.000 . 1818 212 212 LYS HB3 H 1.933 0.000 . 1819 212 212 LYS HG2 H 0.719 0.000 . 1820 212 212 LYS HG3 H 0.719 0.000 . 1821 212 212 LYS HE2 H 3.061 0.000 . 1822 212 212 LYS HE3 H 3.061 0.000 . 1823 212 212 LYS C C 177.893 0.000 . 1824 212 212 LYS CA C 57.800 0.118 . 1825 212 212 LYS CB C 31.004 0.000 . 1826 212 212 LYS CG C 22.500 0.000 . 1827 212 212 LYS CD C 27.900 0.000 . 1828 212 212 LYS CE C 40.800 0.000 . 1829 212 212 LYS N N 120.863 0.074 . 1830 213 213 GLU H H 8.949 0.000 . 1831 213 213 GLU CA C 53.295 0.000 . 1832 213 213 GLU N N 123.650 0.000 . 1833 214 214 PRO CA C 61.635 0.000 . 1834 215 215 ILE H H 9.003 0.000 . 1835 215 215 ILE CA C 59.846 0.000 . 1836 215 215 ILE N N 115.608 0.000 . 1837 216 216 SER H H 8.160 0.000 . 1838 216 216 SER CA C 56.736 0.000 . 1839 216 216 SER N N 118.890 0.000 . 1840 217 217 VAL H H 8.597 0.000 . 1841 217 217 VAL CA C 58.607 0.000 . 1842 217 217 VAL N N 117.921 0.000 . 1843 218 218 SER H H 8.404 0.031 . 1844 218 218 SER HA H 4.882 0.018 . 1845 218 218 SER HB2 H 3.935 0.000 . 1846 218 218 SER HB3 H 3.935 0.000 . 1847 218 218 SER C C 176.754 0.063 . 1848 218 218 SER CA C 55.795 0.187 . 1849 218 218 SER CB C 65.609 0.000 . 1850 218 218 SER N N 114.542 0.177 . 1851 219 219 SER H H 9.290 0.023 . 1852 219 219 SER HA H 4.468 0.000 . 1853 219 219 SER HB2 H 3.844 0.000 . 1854 219 219 SER HB3 H 3.844 0.000 . 1855 219 219 SER C C 177.010 0.000 . 1856 219 219 SER CA C 61.252 0.395 . 1857 219 219 SER CB C 65.100 0.000 . 1858 219 219 SER N N 116.609 0.178 . 1859 220 220 GLU H H 8.243 0.012 . 1860 220 220 GLU HA H 4.694 0.000 . 1861 220 220 GLU HB2 H 1.915 0.000 . 1862 220 220 GLU HB3 H 1.915 0.000 . 1863 220 220 GLU HG2 H 2.025 0.000 . 1864 220 220 GLU HG3 H 2.025 0.000 . 1865 220 220 GLU C C 174.539 0.000 . 1866 220 220 GLU CA C 58.895 0.001 . 1867 220 220 GLU CB C 34.694 0.000 . 1868 220 220 GLU CG C 36.400 0.000 . 1869 220 220 GLU N N 118.009 0.000 . 1870 221 221 GLN H H 7.535 0.088 . 1871 221 221 GLN HA H 3.833 0.015 . 1872 221 221 GLN HB2 H 2.172 0.000 . 1873 221 221 GLN HB3 H 2.172 0.000 . 1874 221 221 GLN HG2 H 2.264 0.000 . 1875 221 221 GLN HG3 H 2.264 0.000 . 1876 221 221 GLN C C 175.637 0.222 . 1877 221 221 GLN CA C 60.154 0.232 . 1878 221 221 GLN CB C 27.700 0.000 . 1879 221 221 GLN CG C 35.200 0.000 . 1880 221 221 GLN N N 117.195 0.209 . 1881 222 222 VAL H H 7.186 0.020 . 1882 222 222 VAL HA H 4.779 0.030 . 1883 222 222 VAL HB H 2.172 0.000 . 1884 222 222 VAL HG2 H 0.740 0.000 . 1885 222 222 VAL C C 177.396 0.042 . 1886 222 222 VAL CA C 54.450 0.105 . 1887 222 222 VAL CB C 30.500 0.000 . 1888 222 222 VAL CG1 C 20.900 0.000 . 1889 222 222 VAL CG2 C 19.700 0.000 . 1890 222 222 VAL N N 114.246 0.216 . 1891 223 223 LEU H H 8.215 0.068 . 1892 223 223 LEU HA H 4.854 0.134 . 1893 223 223 LEU HB2 H 1.639 0.000 . 1894 223 223 LEU HB3 H 1.639 0.000 . 1895 223 223 LEU HG H 1.179 0.000 . 1896 223 223 LEU HD2 H 0.813 0.000 . 1897 223 223 LEU C C 179.393 0.000 . 1898 223 223 LEU CA C 57.481 0.134 . 1899 223 223 LEU CB C 40.700 0.000 . 1900 223 223 LEU CG C 26.100 0.000 . 1901 223 223 LEU CD1 C 23.700 0.000 . 1902 223 223 LEU CD2 C 23.700 0.000 . 1903 223 223 LEU N N 121.018 0.071 . 1904 224 224 LYS H H 6.855 0.020 . 1905 224 224 LYS HA H 4.218 0.000 . 1906 224 224 LYS HB2 H 1.547 0.000 . 1907 224 224 LYS HB3 H 1.547 0.000 . 1908 224 224 LYS HG2 H 1.915 0.000 . 1909 224 224 LYS HG3 H 1.915 0.000 . 1910 224 224 LYS HD2 H 0.793 0.000 . 1911 224 224 LYS HD3 H 0.793 0.000 . 1912 224 224 LYS HE2 H 2.888 0.000 . 1913 224 224 LYS HE3 H 2.888 0.000 . 1914 224 224 LYS C C 179.170 0.031 . 1915 224 224 LYS CA C 58.444 0.222 . 1916 224 224 LYS CB C 30.709 0.000 . 1917 224 224 LYS CG C 24.100 0.000 . 1918 224 224 LYS CD C 27.300 0.000 . 1919 224 224 LYS CE C 41.300 0.000 . 1920 224 224 LYS N N 115.053 0.280 . 1921 225 225 PHE H H 7.124 0.019 . 1922 225 225 PHE HA H 3.762 0.000 . 1923 225 225 PHE HB2 H 2.707 0.000 . 1924 225 225 PHE HB3 H 2.707 0.000 . 1925 225 225 PHE C C 175.600 0.000 . 1926 225 225 PHE CA C 58.875 0.278 . 1927 225 225 PHE CB C 33.439 0.000 . 1928 225 225 PHE N N 118.858 0.551 . 1929 226 226 ARG H H 6.628 0.031 . 1930 226 226 ARG HA H 4.325 0.056 . 1931 226 226 ARG HB2 H 1.933 0.000 . 1932 226 226 ARG HB3 H 1.933 0.000 . 1933 226 226 ARG HG2 H 0.903 0.000 . 1934 226 226 ARG HG3 H 0.903 0.000 . 1935 226 226 ARG HD2 H 3.182 0.000 . 1936 226 226 ARG HD3 H 3.182 0.000 . 1937 226 226 ARG HE H 7.010 0.000 . 1938 226 226 ARG C C 174.585 0.015 . 1939 226 226 ARG CA C 56.582 0.357 . 1940 226 226 ARG CB C 29.000 0.000 . 1941 226 226 ARG CG C 29.200 0.000 . 1942 226 226 ARG CD C 44.400 0.000 . 1943 226 226 ARG CZ C 158.900 0.000 . 1944 226 226 ARG N N 108.987 0.255 . 1945 227 227 LYS H H 6.782 0.020 . 1946 227 227 LYS HA H 4.350 0.075 . 1947 227 227 LYS HB2 H 1.805 0.000 . 1948 227 227 LYS HB3 H 1.805 0.000 . 1949 227 227 LYS HG2 H 0.958 0.000 . 1950 227 227 LYS HG3 H 0.719 0.000 . 1951 227 227 LYS HD2 H 1.566 0.000 . 1952 227 227 LYS HD3 H 1.566 0.000 . 1953 227 227 LYS HE2 H 3.201 0.000 . 1954 227 227 LYS HE3 H 3.201 0.000 . 1955 227 227 LYS C C 177.847 0.000 . 1956 227 227 LYS CA C 54.972 0.181 . 1957 227 227 LYS CB C 31.900 0.000 . 1958 227 227 LYS CG C 23.900 0.000 . 1959 227 227 LYS CD C 27.900 0.000 . 1960 227 227 LYS CE C 41.400 0.000 . 1961 227 227 LYS N N 113.587 0.105 . 1962 228 228 LEU H H 7.142 0.025 . 1963 228 228 LEU HA H 4.160 0.029 . 1964 228 228 LEU HB2 H 1.787 0.000 . 1965 228 228 LEU HB3 H 1.787 0.000 . 1966 228 228 LEU HG H 1.621 0.000 . 1967 228 228 LEU HD2 H 0.905 0.000 . 1968 228 228 LEU C C 175.746 0.000 . 1969 228 228 LEU CA C 55.132 0.070 . 1970 228 228 LEU CB C 43.000 0.000 . 1971 228 228 LEU CG C 27.900 0.000 . 1972 228 228 LEU CD1 C 26.300 0.000 . 1973 228 228 LEU CD2 C 24.700 0.000 . 1974 228 228 LEU N N 118.777 0.231 . 1975 229 229 ASN H H 8.882 0.034 . 1976 229 229 ASN HA H 4.351 0.203 . 1977 229 229 ASN HB2 H 2.870 0.000 . 1978 229 229 ASN HB3 H 2.870 0.000 . 1979 229 229 ASN C C 174.079 0.000 . 1980 229 229 ASN CA C 51.113 0.363 . 1981 229 229 ASN CB C 41.100 0.000 . 1982 229 229 ASN N N 118.316 0.135 . 1983 230 230 PHE H H 8.795 0.032 . 1984 230 230 PHE HA H 4.473 0.151 . 1985 230 230 PHE HB2 H 2.999 0.000 . 1986 230 230 PHE HB3 H 2.999 0.000 . 1987 230 230 PHE C C 176.400 0.000 . 1988 230 230 PHE CA C 59.114 0.277 . 1989 230 230 PHE CB C 40.339 0.000 . 1990 230 230 PHE N N 116.778 0.027 . 1991 231 231 ASN H H 8.159 0.011 . 1992 231 231 ASN HA H 4.700 0.000 . 1993 231 231 ASN HB2 H 2.852 0.000 . 1994 231 231 ASN HB3 H 2.852 0.000 . 1995 231 231 ASN C C 175.500 0.000 . 1996 231 231 ASN CA C 52.269 0.253 . 1997 231 231 ASN CB C 40.800 0.000 . 1998 231 231 ASN N N 110.389 0.102 . 1999 232 232 GLY H H 8.715 0.076 . 2000 232 232 GLY HA2 H 3.807 0.000 . 2001 232 232 GLY C C 174.084 0.000 . 2002 232 232 GLY CA C 43.850 0.228 . 2003 232 232 GLY N N 104.219 0.187 . 2004 233 233 GLU H H 8.401 0.022 . 2005 233 233 GLU HA H 4.061 0.000 . 2006 233 233 GLU HB2 H 1.915 0.000 . 2007 233 233 GLU HB3 H 1.639 0.000 . 2008 233 233 GLU HG2 H 2.025 0.000 . 2009 233 233 GLU HG3 H 2.025 0.000 . 2010 233 233 GLU C C 176.692 0.000 . 2011 233 233 GLU CA C 57.257 0.252 . 2012 233 233 GLU CB C 28.717 0.000 . 2013 233 233 GLU CG C 35.600 0.000 . 2014 233 233 GLU N N 121.666 0.057 . 2015 234 234 GLY H H 9.123 0.000 . 2016 234 234 GLY HA2 H 3.785 0.000 . 2017 234 234 GLY HA3 H 3.811 0.000 . 2018 234 234 GLY C C 173.600 0.000 . 2019 234 234 GLY CA C 44.900 0.000 . 2020 234 234 GLY N N 112.674 0.000 . 2021 235 235 GLU H H 7.374 0.000 . 2022 235 235 GLU HA H 4.163 0.000 . 2023 235 235 GLU HB2 H 1.952 0.000 . 2024 235 235 GLU HB3 H 1.952 0.000 . 2025 235 235 GLU HG2 H 2.099 0.000 . 2026 235 235 GLU HG3 H 2.099 0.000 . 2027 235 235 GLU C C 173.017 0.000 . 2028 235 235 GLU CA C 50.583 0.007 . 2029 235 235 GLU CG C 35.800 0.000 . 2030 235 235 GLU N N 119.649 0.000 . 2031 236 236 PRO CA C 62.900 0.000 . 2032 236 236 PRO CB C 30.900 0.000 . 2033 236 236 PRO CG C 27.600 0.000 . 2034 236 236 PRO CD C 49.700 0.000 . 2035 237 237 GLU H H 8.298 0.022 . 2036 237 237 GLU HA H 4.285 0.120 . 2037 237 237 GLU HB2 H 1.879 0.000 . 2038 237 237 GLU HB3 H 1.879 0.000 . 2039 237 237 GLU HG2 H 1.989 0.000 . 2040 237 237 GLU HG3 H 1.989 0.000 . 2041 237 237 GLU C C 176.106 0.083 . 2042 237 237 GLU CA C 53.978 0.306 . 2043 237 237 GLU CB C 34.030 0.000 . 2044 237 237 GLU CG C 36.200 0.000 . 2045 237 237 GLU N N 122.415 0.220 . 2046 238 238 GLU H H 8.972 0.059 . 2047 238 238 GLU HA H 4.657 0.020 . 2048 238 238 GLU HB2 H 1.989 0.000 . 2049 238 238 GLU HB3 H 1.989 0.000 . 2050 238 238 GLU HG2 H 2.283 0.000 . 2051 238 238 GLU HG3 H 2.283 0.000 . 2052 238 238 GLU C C 174.678 0.000 . 2053 238 238 GLU CA C 56.727 0.158 . 2054 238 238 GLU CB C 36.760 0.000 . 2055 238 238 GLU CG C 36.200 0.000 . 2056 238 238 GLU N N 128.790 0.044 . 2057 239 239 LEU H H 8.748 0.015 . 2058 239 239 LEU HA H 5.329 0.000 . 2059 239 239 LEU HB2 H 1.713 0.000 . 2060 239 239 LEU HB3 H 1.713 0.000 . 2061 239 239 LEU HG H 1.547 0.000 . 2062 239 239 LEU HD2 H 0.885 0.000 . 2063 239 239 LEU C C 174.731 0.000 . 2064 239 239 LEU CA C 53.717 0.278 . 2065 239 239 LEU CB C 41.408 0.000 . 2066 239 239 LEU CG C 26.300 0.000 . 2067 239 239 LEU CD1 C 24.300 0.000 . 2068 239 239 LEU CD2 C 22.122 0.000 . 2069 239 239 LEU N N 125.897 0.054 . 2070 240 240 MET H H 8.614 0.010 . 2071 240 240 MET HA H 2.114 0.000 . 2072 240 240 MET HB2 H 2.007 0.000 . 2073 240 240 MET HB3 H 2.007 0.000 . 2074 240 240 MET HG2 H 1.639 0.000 . 2075 240 240 MET HG3 H 1.639 0.000 . 2076 240 240 MET C C 175.954 0.124 . 2077 240 240 MET CA C 53.477 0.195 . 2078 240 240 MET CB C 31.200 0.000 . 2079 240 240 MET CG C 30.400 0.000 . 2080 240 240 MET N N 123.172 0.036 . 2081 241 241 VAL H H 6.624 0.021 . 2082 241 241 VAL HA H 3.858 0.015 . 2083 241 241 VAL HB H 2.118 0.000 . 2084 241 241 VAL HG2 H 0.866 0.000 . 2085 241 241 VAL C C 174.257 0.310 . 2086 241 241 VAL CA C 58.317 0.137 . 2087 241 241 VAL CB C 32.701 0.000 . 2088 241 241 VAL CG1 C 22.800 0.000 . 2089 241 241 VAL CG2 C 16.700 0.000 . 2090 241 241 VAL N N 114.592 0.211 . 2091 242 242 ASP H H 6.870 0.016 . 2092 242 242 ASP HA H 4.602 0.000 . 2093 242 242 ASP HB2 H 2.707 0.000 . 2094 242 242 ASP HB3 H 2.707 0.000 . 2095 242 242 ASP C C 174.600 0.000 . 2096 242 242 ASP CA C 55.253 0.359 . 2097 242 242 ASP CB C 30.783 0.000 . 2098 242 242 ASP N N 113.548 0.009 . 2099 243 243 ASN H H 8.413 0.020 . 2100 243 243 ASN HA H 4.970 0.000 . 2101 243 243 ASN HB2 H 3.001 0.000 . 2102 243 243 ASN HB3 H 3.001 0.000 . 2103 243 243 ASN C C 172.834 0.034 . 2104 243 243 ASN CA C 50.027 0.252 . 2105 243 243 ASN CB C 35.300 0.000 . 2106 243 243 ASN N N 119.373 0.212 . 2107 244 244 TRP H H 6.428 0.043 . 2108 244 244 TRP HA H 5.130 0.123 . 2109 244 244 TRP HB2 H 3.112 0.000 . 2110 244 244 TRP HB3 H 3.112 0.000 . 2111 244 244 TRP C C 172.800 0.000 . 2112 244 244 TRP CA C 50.365 0.268 . 2113 244 244 TRP CB C 32.000 0.000 . 2114 244 244 TRP N N 114.728 0.643 . 2115 245 245 ARG H H 10.521 0.063 . 2116 245 245 ARG HA H 4.487 0.005 . 2117 245 245 ARG HB2 H 2.155 0.000 . 2118 245 245 ARG HB3 H 2.155 0.000 . 2119 245 245 ARG HG2 H 1.087 0.000 . 2120 245 245 ARG HG3 H 1.087 0.000 . 2121 245 245 ARG HD2 H 3.553 0.000 . 2122 245 245 ARG HD3 H 3.553 0.000 . 2123 245 245 ARG C C 173.671 0.000 . 2124 245 245 ARG CA C 52.082 0.091 . 2125 245 245 ARG CB C 31.900 0.000 . 2126 245 245 ARG CG C 29.878 0.000 . 2127 245 245 ARG CD C 42.200 0.000 . 2128 245 245 ARG CZ C 164.300 0.000 . 2129 245 245 ARG N N 127.028 0.110 . 2130 246 246 PRO C C 173.241 0.000 . 2131 246 246 PRO CA C 58.452 0.000 . 2132 246 246 PRO CB C 31.669 0.000 . 2133 246 246 PRO CG C 27.100 0.000 . 2134 246 246 PRO CD C 49.900 0.000 . 2135 247 247 ALA H H 7.316 0.081 . 2136 247 247 ALA HA H 4.075 0.147 . 2137 247 247 ALA HB H 1.437 0.000 . 2138 247 247 ALA C C 176.702 0.000 . 2139 247 247 ALA CA C 52.893 0.154 . 2140 247 247 ALA CB C 18.609 0.000 . 2141 247 247 ALA N N 119.755 0.187 . 2142 248 248 GLN H H 8.645 0.034 . 2143 248 248 GLN HA H 4.286 0.023 . 2144 248 248 GLN HB2 H 1.989 0.000 . 2145 248 248 GLN HB3 H 1.989 0.000 . 2146 248 248 GLN HG2 H 2.320 0.000 . 2147 248 248 GLN HG3 H 2.320 0.000 . 2148 248 248 GLN C C 175.586 0.000 . 2149 248 248 GLN CA C 51.151 0.159 . 2150 248 248 GLN CB C 27.800 0.000 . 2151 248 248 GLN CG C 33.100 0.000 . 2152 248 248 GLN N N 121.761 0.059 . 2153 249 249 PRO C C 177.130 0.000 . 2154 249 249 PRO CA C 61.035 0.000 . 2155 249 249 PRO CB C 31.100 0.000 . 2156 249 249 PRO CG C 27.500 0.000 . 2157 249 249 PRO CD C 49.700 0.000 . 2158 250 250 LEU H H 8.793 0.070 . 2159 250 250 LEU HA H 4.222 0.163 . 2160 250 250 LEU HB2 H 1.731 0.000 . 2161 250 250 LEU HB3 H 1.731 0.000 . 2162 250 250 LEU HG H 1.547 0.000 . 2163 250 250 LEU HD2 H 0.848 0.000 . 2164 250 250 LEU C C 178.500 0.000 . 2165 250 250 LEU CA C 56.773 0.168 . 2166 250 250 LEU CB C 41.500 0.000 . 2167 250 250 LEU CG C 26.100 0.000 . 2168 250 250 LEU CD1 C 24.400 0.000 . 2169 250 250 LEU CD2 C 22.300 0.000 . 2170 250 250 LEU N N 125.986 0.064 . 2171 251 251 LYS H H 9.022 0.016 . 2172 251 251 LYS HA H 4.545 0.049 . 2173 251 251 LYS HB2 H 1.805 0.000 . 2174 251 251 LYS HB3 H 1.805 0.000 . 2175 251 251 LYS HG2 H 1.363 0.000 . 2176 251 251 LYS HG3 H 1.363 0.000 . 2177 251 251 LYS HD2 H 1.676 0.000 . 2178 251 251 LYS HD3 H 1.676 0.000 . 2179 251 251 LYS HE2 H 3.038 0.000 . 2180 251 251 LYS HE3 H 3.038 0.000 . 2181 251 251 LYS C C 174.581 0.000 . 2182 251 251 LYS CA C 56.877 0.352 . 2183 251 251 LYS CB C 29.730 0.000 . 2184 251 251 LYS CG C 25.000 0.000 . 2185 251 251 LYS CD C 28.500 0.000 . 2186 251 251 LYS CE C 41.600 0.000 . 2187 251 251 LYS N N 115.209 0.000 . 2188 252 252 ASN H H 6.617 0.030 . 2189 252 252 ASN HA H 3.454 0.000 . 2190 252 252 ASN HB2 H 2.927 0.000 . 2191 252 252 ASN HB3 H 2.927 0.000 . 2192 252 252 ASN CA C 58.724 0.252 . 2193 252 252 ASN CB C 31.280 0.000 . 2194 252 252 ASN N N 118.198 0.234 . 2195 253 253 ARG H H 7.375 0.035 . 2196 253 253 ARG HA H 4.498 0.013 . 2197 253 253 ARG HB2 H 2.099 0.000 . 2198 253 253 ARG HB3 H 2.099 0.000 . 2199 253 253 ARG HG2 H 1.787 0.000 . 2200 253 253 ARG HG3 H 1.787 0.000 . 2201 253 253 ARG HD2 H 2.872 0.000 . 2202 253 253 ARG HD3 H 2.872 0.000 . 2203 253 253 ARG C C 175.308 0.000 . 2204 253 253 ARG CA C 55.536 0.148 . 2205 253 253 ARG CB C 33.050 0.000 . 2206 253 253 ARG CG C 26.400 0.000 . 2207 253 253 ARG CD C 44.800 0.000 . 2208 253 253 ARG CZ C 159.500 0.000 . 2209 253 253 ARG N N 118.423 0.291 . 2210 254 254 GLN H H 8.512 0.029 . 2211 254 254 GLN HA H 4.517 0.000 . 2212 254 254 GLN HB2 H 1.989 0.000 . 2213 254 254 GLN HB3 H 1.989 0.000 . 2214 254 254 GLN HG2 H 2.081 0.000 . 2215 254 254 GLN HG3 H 2.081 0.000 . 2216 254 254 GLN C C 174.500 0.000 . 2217 254 254 GLN CA C 54.100 0.203 . 2218 254 254 GLN CB C 40.818 0.000 . 2219 254 254 GLN CG C 33.800 0.000 . 2220 254 254 GLN N N 117.620 0.000 . 2221 255 255 ILE H H 9.008 0.030 . 2222 255 255 ILE HA H 4.570 0.000 . 2223 255 255 ILE HB H 1.897 0.000 . 2224 255 255 ILE HG12 H 1.511 0.000 . 2225 255 255 ILE HG13 H 1.511 0.000 . 2226 255 255 ILE HG2 H 1.216 0.000 . 2227 255 255 ILE HD1 H 0.738 0.000 . 2228 255 255 ILE C C 174.761 0.000 . 2229 255 255 ILE CA C 60.622 0.056 . 2230 255 255 ILE CB C 31.964 0.000 . 2231 255 255 ILE CG1 C 26.400 0.000 . 2232 255 255 ILE CG2 C 17.600 0.000 . 2233 255 255 ILE CD1 C 13.500 0.000 . 2234 255 255 ILE N N 130.696 0.031 . 2235 256 256 LYS H H 8.745 0.019 . 2236 256 256 LYS HA H 4.160 0.000 . 2237 256 256 LYS HB2 H 1.750 0.000 . 2238 256 256 LYS HB3 H 1.750 0.000 . 2239 256 256 LYS HG2 H 1.419 0.000 . 2240 256 256 LYS HG3 H 1.419 0.000 . 2241 256 256 LYS HD2 H 1.603 0.000 . 2242 256 256 LYS HD3 H 1.603 0.000 . 2243 256 256 LYS C C 174.944 0.044 . 2244 256 256 LYS CA C 53.700 0.280 . 2245 256 256 LYS CB C 34.694 0.000 . 2246 256 256 LYS CG C 24.200 0.000 . 2247 256 256 LYS CD C 28.500 0.000 . 2248 256 256 LYS CE C 41.600 0.000 . 2249 256 256 LYS N N 126.075 0.000 . 2250 257 257 ALA H H 8.642 0.005 . 2251 257 257 ALA HA H 4.894 0.229 . 2252 257 257 ALA HB H 0.774 0.000 . 2253 257 257 ALA C C 176.244 0.078 . 2254 257 257 ALA CA C 48.926 0.077 . 2255 257 257 ALA CB C 22.042 0.048 . 2256 257 257 ALA N N 123.271 0.043 . 2257 258 258 SER H H 8.790 0.040 . 2258 258 258 SER HA H 3.972 0.130 . 2259 258 258 SER HB2 H 3.664 0.000 . 2260 258 258 SER HB3 H 3.664 0.000 . 2261 258 258 SER C C 171.876 0.016 . 2262 258 258 SER CA C 58.162 0.181 . 2263 258 258 SER CB C 63.151 0.067 . 2264 258 258 SER N N 115.752 0.088 . 2265 259 259 PHE H H 6.669 0.022 . 2266 259 259 PHE HA H 4.781 0.032 . 2267 259 259 PHE HB2 H 2.467 0.000 . 2268 259 259 PHE HB3 H 2.891 0.000 . 2269 259 259 PHE C C 170.626 0.000 . 2270 259 259 PHE CA C 52.854 0.458 . 2271 259 259 PHE CB C 41.401 0.006 . 2272 259 259 PHE N N 117.954 0.107 . 2273 260 260 LYS H H 7.789 0.048 . 2274 260 260 LYS HA H 4.035 0.343 . 2275 260 260 LYS HB2 H 1.950 0.000 . 2276 260 260 LYS HB3 H 1.950 0.000 . 2277 260 260 LYS HG2 H 0.719 0.000 . 2278 260 260 LYS HG3 H 0.719 0.000 . 2279 260 260 LYS HD2 H 1.124 0.000 . 2280 260 260 LYS HD3 H 1.124 0.000 . 2281 260 260 LYS HE2 H 2.909 0.000 . 2282 260 260 LYS HE3 H 2.909 0.000 . 2283 260 260 LYS C C 170.557 0.000 . 2284 260 260 LYS CA C 56.843 0.137 . 2285 260 260 LYS CB C 32.775 0.000 . 2286 260 260 LYS CG C 23.300 0.000 . 2287 260 260 LYS CD C 28.500 0.000 . 2288 260 260 LYS CE C 41.356 0.000 . 2289 260 260 LYS N N 124.149 0.125 . stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-13C RFDR' _Number_of_spectral_dimensions 1 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H-aliphatic stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 34347 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name '3D 1H-13C RFDR' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 1 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >># INAME 1 HC >># INAME 2 C >># INAME 3 H >> 1 4.151 54.389 10.484 1 T 9.287e+05 0.00e+00 a 0 0 0 0 0 >> 2 4.199 54.248 10.475 1 T 9.055e+05 0.00e+00 a 0 0 0 0 0 >> 3 -0.923 47.187 10.467 1 T 9.181e+05 0.00e+00 a 0 0 0 0 0 >> 4 2.392 23.081 10.477 1 T 1.029e+06 0.00e+00 a 0 0 0 0 0 >> 5 2.368 41.335 10.453 1 T 1.024e+06 0.00e+00 a 0 0 0 0 0 >> 6 1.921 37.130 10.420 1 T 9.894e+05 0.00e+00 a 0 0 0 0 0 >> 7 0.797 27.214 10.421 1 T 1.105e+06 0.00e+00 a 0 0 0 0 0 >> 8 4.537 56.795 10.408 1 T 9.945e+05 0.00e+00 a 0 0 0 0 0 >> 9 2.911 42.228 10.403 1 T 1.352e+06 0.00e+00 a 0 0 0 0 0 >> 10 2.412 41.483 10.391 1 T 1.063e+06 0.00e+00 a 0 0 0 0 0 >> 11 1.157 30.054 10.370 1 T 9.363e+05 0.00e+00 a 0 0 0 0 0 >> 12 0.795 27.258 10.391 1 T 1.104e+06 0.00e+00 a 0 0 0 0 0 >> 13 8.401 70.152 10.359 1 T 9.434e+05 0.00e+00 a 0 0 0 0 0 >> 14 4.569 56.908 10.353 1 T 1.048e+06 0.00e+00 a 0 0 0 0 0 >> 15 1.601 28.997 10.365 1 T 9.776e+05 0.00e+00 a 0 0 0 0 0 >> 16 1.568 31.286 10.233 1 T 9.925e+05 0.00e+00 a 0 0 0 0 0 >> 17 0.652 25.225 10.237 1 T 1.234e+06 0.00e+00 a 0 0 0 0 0 >> 18 4.071 54.760 10.217 1 T 9.963e+05 0.00e+00 a 0 0 0 0 0 >> 19 4.929 51.903 10.216 1 T 9.952e+05 0.00e+00 a 0 0 0 0 0 >> 20 3.498 64.698 10.178 1 T 9.116e+05 0.00e+00 a 0 0 0 0 0 >> 21 1.600 31.361 10.176 1 T 1.010e+06 0.00e+00 a 0 0 0 0 0 >> 22 4.664 57.838 10.148 1 T 1.441e+06 0.00e+00 a 0 0 0 0 0 >> 23 6.733 52.629 10.159 1 T 1.059e+06 0.00e+00 a 0 0 0 0 0 >> 24 3.405 42.091 10.156 1 T 9.716e+05 0.00e+00 a 0 0 0 0 0 >> 25 1.999 32.408 10.127 1 T 1.086e+06 0.00e+00 a 0 0 0 0 0 >> 26 0.722 68.803 10.099 1 T 9.143e+05 0.00e+00 a 0 0 0 0 0 >> 27 5.070 51.364 10.090 1 T 1.203e+06 0.00e+00 a 0 0 0 0 0 >> 28 -0.085 40.017 10.083 1 T 9.079e+05 0.00e+00 a 0 0 0 0 0 >> 29 2.317 40.562 10.062 1 T 9.346e+05 0.00e+00 a 0 0 0 0 0 >> 30 0.698 25.243 10.070 1 T 1.217e+06 0.00e+00 a 0 0 0 0 0 >> 31 4.737 43.794 10.041 1 T 9.744e+05 0.00e+00 a 0 0 0 0 0 >> 32 1.297 22.561 10.024 1 T 1.422e+06 0.00e+00 a 0 0 0 0 0 >> 33 1.844 27.019 10.013 1 T 1.175e+06 0.00e+00 a 0 0 0 0 0 >> 34 5.300 13.849 10.020 1 T 8.447e+05 0.00e+00 a 0 0 0 0 0 >> 35 1.363 18.553 9.985 1 T 9.764e+05 0.00e+00 a 0 0 0 0 0 >> 36 3.922 55.998 9.877 1 T 1.135e+06 0.00e+00 a 0 0 0 0 0 >> 37 4.348 50.639 9.867 1 T 9.365e+05 0.00e+00 a 0 0 0 0 0 >> 38 1.078 20.813 9.861 1 T 1.123e+06 0.00e+00 a 0 0 0 0 0 >> 39 4.702 55.647 9.849 1 T 1.627e+06 0.00e+00 a 0 0 0 0 0 >> 40 1.484 42.463 9.847 1 T 9.549e+05 0.00e+00 a 0 0 0 0 0 >> 41 4.443 60.447 9.803 1 T 1.740e+06 0.00e+00 a 0 0 0 0 0 >> 42 5.230 51.417 9.795 1 T 1.044e+06 0.00e+00 a 0 0 0 0 0 >> 43 1.796 33.358 9.779 1 T 1.211e+06 0.00e+00 a 0 0 0 0 0 >> 44 0.564 15.501 9.791 1 T 1.012e+06 0.00e+00 a 0 0 0 0 0 >> 45 0.961 41.228 9.770 1 T 9.232e+05 0.00e+00 a 0 0 0 0 0 >> 46 1.377 30.284 9.751 1 T 9.111e+05 0.00e+00 a 0 0 0 0 0 >> 47 0.826 26.491 9.764 1 T 1.288e+06 0.00e+00 a 0 0 0 0 0 >> 48 2.054 32.839 9.732 1 T 1.417e+06 0.00e+00 a 0 0 0 0 0 >> 49 3.187 30.660 9.745 1 T 8.813e+05 0.00e+00 a 0 0 0 0 0 >> 50 0.884 28.730 9.736 1 T 9.657e+05 0.00e+00 a 0 0 0 0 0 >> 51 1.406 30.403 9.702 1 T 9.503e+05 0.00e+00 a 0 0 0 0 0 >> 52 1.031 23.869 9.688 1 T 1.001e+06 0.00e+00 a 0 0 0 0 0 >> 53 0.790 15.853 9.684 1 T 9.024e+05 0.00e+00 a 0 0 0 0 0 >> 54 3.435 58.279 9.668 1 T 1.041e+06 0.00e+00 a 0 0 0 0 0 >> 55 5.994 57.351 9.672 1 T 1.067e+06 0.00e+00 a 0 0 0 0 0 >> 56 5.480 54.232 9.669 1 T 1.023e+06 0.00e+00 a 0 0 0 0 0 >> 57 5.283 55.369 9.630 1 T 1.265e+06 0.00e+00 a 0 0 0 0 0 >> 58 0.644 45.709 9.627 1 T 8.752e+05 0.00e+00 a 0 0 0 0 0 >> 59 3.588 43.717 9.644 1 T 1.028e+06 0.00e+00 a 0 0 0 0 0 >> 60 4.260 61.741 9.624 1 T 1.099e+06 0.00e+00 a 0 0 0 0 0 >> 61 1.962 40.514 9.604 1 T 1.298e+06 0.00e+00 a 0 0 0 0 0 >> 62 0.403 22.560 9.621 1 T 1.173e+06 0.00e+00 a 0 0 0 0 0 >> 63 0.542 32.642 9.582 1 T 9.148e+05 0.00e+00 a 0 0 0 0 0 >> 64 0.516 26.432 9.584 1 T 1.053e+06 0.00e+00 a 0 0 0 0 0 >> 65 5.917 54.164 9.553 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0 >> 66 1.650 39.192 9.557 1 T 9.678e+05 0.00e+00 a 0 0 0 0 0 >> 67 6.727 35.894 9.557 1 T 1.019e+06 0.00e+00 a 0 0 0 0 0 >> 68 1.929 17.406 9.559 1 T 9.809e+05 0.00e+00 a 0 0 0 0 0 >> 69 1.944 17.476 9.516 1 T 9.371e+05 0.00e+00 a 0 0 0 0 0 >> 70 3.658 43.382 9.503 1 T 1.011e+06 0.00e+00 a 0 0 0 0 0 >> 71 1.399 61.471 9.455 1 T 9.068e+05 0.00e+00 a 0 0 0 0 0 >> 72 2.845 41.029 9.455 1 T 1.977e+06 0.00e+00 a 0 0 0 0 0 >> 73 1.360 23.380 9.463 1 T 1.168e+06 0.00e+00 a 0 0 0 0 0 >> 74 4.778 61.503 9.448 1 T 1.411e+06 0.00e+00 a 0 0 0 0 0 >> 75 1.321 23.669 9.437 1 T 1.210e+06 0.00e+00 a 0 0 0 0 0 >> 76 3.659 43.238 9.412 1 T 9.842e+05 0.00e+00 a 0 0 0 0 0 >> 77 0.668 18.009 9.418 1 T 1.110e+06 0.00e+00 a 0 0 0 0 0 >> 78 5.163 36.612 9.381 1 T 8.931e+05 0.00e+00 a 0 0 0 0 0 >> 79 0.593 18.245 9.403 1 T 1.167e+06 0.00e+00 a 0 0 0 0 0 >> 80 1.684 54.429 9.311 1 T 1.095e+06 0.00e+00 a 0 0 0 0 0 >> 81 4.406 63.105 9.301 1 T 9.459e+05 0.00e+00 a 0 0 0 0 0 >> 82 3.951 52.527 9.289 1 T 9.546e+05 0.00e+00 a 0 0 0 0 0 >> 83 7.140 39.280 9.269 1 T 1.046e+06 0.00e+00 a 0 0 0 0 0 >> 84 -0.008 34.067 9.270 1 T 9.783e+05 0.00e+00 a 0 0 0 0 0 >> 85 1.690 54.174 9.214 1 T 1.077e+06 0.00e+00 a 0 0 0 0 0 >> 86 1.573 7.843 9.228 1 T 8.598e+05 0.00e+00 a 0 0 0 0 0 >> 87 2.484 43.757 9.185 1 T 1.080e+06 0.00e+00 a 0 0 0 0 0 >> 88 0.672 30.793 9.203 1 T 1.039e+06 0.00e+00 a 0 0 0 0 0 >> 89 1.983 47.059 9.159 1 T 9.198e+05 0.00e+00 a 0 0 0 0 0 >> 90 1.716 42.243 9.166 1 T 1.291e+06 0.00e+00 a 0 0 0 0 0 >> 91 -0.913 23.159 9.164 1 T 1.106e+06 0.00e+00 a 0 0 0 0 0 >> 92 3.898 67.958 9.137 1 T 9.291e+05 0.00e+00 a 0 0 0 0 0 >> 93 2.734 52.824 9.145 1 T 1.033e+06 0.00e+00 a 0 0 0 0 0 >> 94 1.844 44.317 9.143 1 T 9.281e+05 0.00e+00 a 0 0 0 0 0 >> 95 4.757 44.207 9.142 1 T 8.885e+05 0.00e+00 a 0 0 0 0 0 >> 96 2.229 35.550 9.148 1 T 2.366e+06 0.00e+00 a 0 0 0 0 0 >> 97 -0.883 23.096 9.151 1 T 1.122e+06 0.00e+00 a 0 0 0 0 0 >> 98 1.930 55.064 9.134 1 T 1.183e+06 0.00e+00 a 0 0 0 0 0 >> 99 5.799 54.895 9.111 1 T 1.028e+06 0.00e+00 a 0 0 0 0 0 >> 100 2.312 54.445 9.126 1 T 9.192e+05 0.00e+00 a 0 0 0 0 0 >> 101 1.673 53.888 9.128 1 T 1.069e+06 0.00e+00 a 0 0 0 0 0 >> 102 2.679 52.600 9.121 1 T 1.056e+06 0.00e+00 a 0 0 0 0 0 >> 103 2.616 44.344 9.124 1 T 9.799e+05 0.00e+00 a 0 0 0 0 0 >> 104 1.942 41.263 9.119 1 T 1.174e+06 0.00e+00 a 0 0 0 0 0 >> 105 4.087 44.578 9.101 1 T 1.469e+06 0.00e+00 a 0 0 0 0 0 >> 106 1.604 14.538 9.105 1 T 9.534e+05 0.00e+00 a 0 0 0 0 0 >> 107 3.571 65.613 9.072 1 T 1.011e+06 0.00e+00 a 0 0 0 0 0 >> 108 1.628 53.591 9.077 1 T 1.048e+06 0.00e+00 a 0 0 0 0 0 >> 109 5.686 52.319 9.071 1 T 1.009e+06 0.00e+00 a 0 0 0 0 0 >> 110 4.501 70.774 9.053 1 T 1.027e+06 0.00e+00 a 0 0 0 0 0 >> 111 3.529 65.702 9.047 1 T 1.041e+06 0.00e+00 a 0 0 0 0 0 >> 112 6.210 53.209 9.055 1 T 1.168e+06 0.00e+00 a 0 0 0 0 0 >> 113 4.211 65.467 9.017 1 T 9.125e+05 0.00e+00 a 0 0 0 0 0 >> 114 4.942 60.821 9.021 1 T 1.606e+06 0.00e+00 a 0 0 0 0 0 >> 115 5.494 51.410 9.020 1 T 9.427e+05 0.00e+00 a 0 0 0 0 0 >> 116 3.600 44.212 9.017 1 T 1.268e+06 0.00e+00 a 0 0 0 0 0 >> 117 1.911 36.156 9.019 1 T 2.058e+06 0.00e+00 a 0 0 0 0 0 >> 118 0.816 41.446 8.997 1 T 1.009e+06 0.00e+00 a 0 0 0 0 0 >> 119 2.260 63.367 8.979 1 T 1.067e+06 0.00e+00 a 0 0 0 0 0 >> 120 5.753 57.178 8.973 1 T 1.124e+06 0.00e+00 a 0 0 0 0 0 >> 121 6.936 38.894 8.977 1 T 1.081e+06 0.00e+00 a 0 0 0 0 0 >> 122 2.622 37.357 8.968 1 T 1.007e+06 0.00e+00 a 0 0 0 0 0 >> 123 0.313 60.142 8.959 1 T 8.869e+05 0.00e+00 a 0 0 0 0 0 >> 124 3.795 56.358 8.949 1 T 2.766e+06 0.00e+00 a 0 0 0 0 0 >> 125 7.226 49.834 8.942 1 T 1.065e+06 0.00e+00 a 0 0 0 0 0 >> 126 0.785 41.350 8.945 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0 >> 127 -0.580 19.941 8.940 1 T 1.061e+06 0.00e+00 a 0 0 0 0 0 >> 128 4.835 52.641 8.929 1 T 4.436e+06 0.00e+00 a 0 0 0 0 0 >> 129 4.814 41.095 8.917 1 T 9.958e+05 0.00e+00 a 0 0 0 0 0 >> 130 -0.145 19.938 8.916 1 T 1.124e+06 0.00e+00 a 0 0 0 0 0 >> 131 4.527 53.652 8.902 1 T 6.144e+06 0.00e+00 a 0 0 0 0 0 >> 132 1.548 44.628 8.912 1 T 1.121e+06 0.00e+00 a 0 0 0 0 0 >> 133 1.292 42.770 8.904 1 T 1.133e+06 0.00e+00 a 0 0 0 0 0 >> 134 2.953 38.392 8.895 1 T 1.034e+06 0.00e+00 a 0 0 0 0 0 >> 135 2.586 37.852 8.897 1 T 1.003e+06 0.00e+00 a 0 0 0 0 0 >> 136 0.971 14.304 8.889 1 T 1.140e+06 0.00e+00 a 0 0 0 0 0 >> 137 2.310 55.776 8.880 1 T 1.130e+06 0.00e+00 a 0 0 0 0 0 >> 138 7.213 49.948 8.881 1 T 1.107e+06 0.00e+00 a 0 0 0 0 0 >> 139 0.953 14.361 8.876 1 T 1.198e+06 0.00e+00 a 0 0 0 0 0 >> 140 2.474 69.815 8.856 1 T 9.853e+05 0.00e+00 a 0 0 0 0 0 >> 141 4.608 62.228 8.847 1 T 2.535e+06 0.00e+00 a 0 0 0 0 0 >> 142 4.270 61.905 8.850 1 T 2.898e+06 0.00e+00 a 0 0 0 0 0 >> 143 1.579 41.544 8.851 1 T 1.815e+06 0.00e+00 a 0 0 0 0 0 >> 144 2.779 29.266 8.841 1 T 1.005e+06 0.00e+00 a 0 0 0 0 0 >> 145 1.258 24.975 8.848 1 T 3.243e+06 0.00e+00 a 0 0 0 0 0 >> 146 -0.137 20.104 8.855 1 T 1.170e+06 0.00e+00 a 0 0 0 0 0 >> 147 -0.721 13.918 8.854 1 T 9.675e+05 0.00e+00 a 0 0 0 0 0 >> 148 1.847 62.504 8.838 1 T 9.768e+05 0.00e+00 a 0 0 0 0 0 >> 149 4.645 62.126 8.827 1 T 2.527e+06 0.00e+00 a 0 0 0 0 0 >> 150 2.549 38.097 8.832 1 T 1.029e+06 0.00e+00 a 0 0 0 0 0 >> 151 1.570 34.305 8.814 1 T 1.591e+06 0.00e+00 a 0 0 0 0 0 >> 152 1.027 30.667 8.825 1 T 1.121e+06 0.00e+00 a 0 0 0 0 0 >> 153 4.451 60.372 8.791 1 T 2.749e+06 0.00e+00 a 0 0 0 0 0 >> 154 4.787 50.281 8.792 1 T 2.731e+06 0.00e+00 a 0 0 0 0 0 >> 155 0.743 40.955 8.803 1 T 9.917e+05 0.00e+00 a 0 0 0 0 0 >> 156 1.389 18.974 8.792 1 T 2.596e+06 0.00e+00 a 0 0 0 0 0 >> 157 0.553 13.847 8.813 1 T 1.427e+06 0.00e+00 a 0 0 0 0 0 >> 158 -0.212 13.685 8.793 1 T 9.532e+05 0.00e+00 a 0 0 0 0 0 >> 159 2.074 53.112 8.784 1 T 1.095e+06 0.00e+00 a 0 0 0 0 0 >> 160 5.052 48.755 8.772 1 T 1.561e+06 0.00e+00 a 0 0 0 0 0 >> 161 0.919 38.380 8.764 1 T 9.638e+05 0.00e+00 a 0 0 0 0 0 >> 162 1.952 30.904 8.786 1 T 3.890e+06 0.00e+00 a 0 0 0 0 0 >> 163 0.718 25.137 8.776 1 T 4.013e+06 0.00e+00 a 0 0 0 0 0 >> 164 5.359 11.269 8.785 1 T 1.113e+06 0.00e+00 a 0 0 0 0 0 >> 165 4.591 67.775 8.764 1 T 1.049e+06 0.00e+00 a 0 0 0 0 0 >> 166 1.837 62.381 8.742 1 T 9.739e+05 0.00e+00 a 0 0 0 0 0 >> 167 4.846 60.807 8.760 1 T 1.803e+06 0.00e+00 a 0 0 0 0 0 >> 168 1.825 58.104 8.743 1 T 9.517e+05 0.00e+00 a 0 0 0 0 0 >> 169 3.969 57.891 8.753 1 T 3.669e+06 0.00e+00 a 0 0 0 0 0 >> 170 2.953 53.080 8.745 1 T 9.930e+05 0.00e+00 a 0 0 0 0 0 >> 171 1.475 39.311 8.746 1 T 1.129e+06 0.00e+00 a 0 0 0 0 0 >> 172 1.515 36.485 8.751 1 T 9.988e+05 0.00e+00 a 0 0 0 0 0 >> 173 1.028 30.775 8.764 1 T 1.169e+06 0.00e+00 a 0 0 0 0 0 >> 174 1.708 28.606 8.758 1 T 4.598e+06 0.00e+00 a 0 0 0 0 0 >> 175 4.340 70.681 8.725 1 T 1.124e+06 0.00e+00 a 0 0 0 0 0 >> 176 5.461 56.324 8.737 1 T 1.951e+06 0.00e+00 a 0 0 0 0 0 >> 177 -0.228 13.642 8.738 1 T 9.395e+05 0.00e+00 a 0 0 0 0 0 >> 178 1.789 57.782 8.710 1 T 1.022e+06 0.00e+00 a 0 0 0 0 0 >> 179 0.125 31.864 8.697 1 T 9.292e+05 0.00e+00 a 0 0 0 0 0 >> 180 5.458 70.413 8.673 1 T 9.146e+05 0.00e+00 a 0 0 0 0 0 >> 181 5.861 54.423 8.674 1 T 9.361e+05 0.00e+00 a 0 0 0 0 0 >> 182 6.819 51.312 8.682 1 T 9.963e+05 0.00e+00 a 0 0 0 0 0 >> 183 3.472 71.425 8.662 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0 >> 184 4.715 61.813 8.666 1 T 2.341e+06 0.00e+00 a 0 0 0 0 0 >> 185 8.359 55.782 8.656 1 T 1.132e+06 0.00e+00 a 0 0 0 0 0 >> 186 4.514 68.883 8.631 1 T 9.665e+05 0.00e+00 a 0 0 0 0 0 >> 187 7.084 51.477 8.636 1 T 9.033e+05 0.00e+00 a 0 0 0 0 0 >> 188 6.739 50.999 8.627 1 T 9.871e+05 0.00e+00 a 0 0 0 0 0 >> 189 2.079 39.696 8.621 1 T 1.346e+06 0.00e+00 a 0 0 0 0 0 >> 190 1.784 52.356 8.616 1 T 9.549e+05 0.00e+00 a 0 0 0 0 0 >> 191 3.441 48.853 8.592 1 T 9.807e+05 0.00e+00 a 0 0 0 0 0 >> 192 2.125 44.235 8.598 1 T 8.982e+05 0.00e+00 a 0 0 0 0 0 >> 193 2.153 44.197 8.603 1 T 8.868e+05 0.00e+00 a 0 0 0 0 0 >> 194 4.881 65.052 8.578 1 T 9.708e+05 0.00e+00 a 0 0 0 0 0 >> 195 7.064 51.407 8.585 1 T 8.977e+05 0.00e+00 a 0 0 0 0 0 >> 196 2.968 31.517 8.583 1 T 1.156e+06 0.00e+00 a 0 0 0 0 0 >> 197 3.154 56.807 8.555 1 T 9.154e+05 0.00e+00 a 0 0 0 0 0 >> 198 3.412 52.953 8.559 1 T 1.549e+06 0.00e+00 a 0 0 0 0 0 >> 199 4.001 44.024 8.549 1 T 1.770e+06 0.00e+00 a 0 0 0 0 0 >> 200 6.830 36.255 8.546 1 T 9.715e+05 0.00e+00 a 0 0 0 0 0 >> 201 3.510 28.693 8.563 1 T 9.702e+05 0.00e+00 a 0 0 0 0 0 >> 202 1.509 46.490 8.536 1 T 1.061e+06 0.00e+00 a 0 0 0 0 0 >> 203 3.764 69.388 8.503 1 T 1.166e+06 0.00e+00 a 0 0 0 0 0 >> 204 3.603 66.965 8.513 1 T 1.087e+06 0.00e+00 a 0 0 0 0 0 >> 205 3.184 56.874 8.507 1 T 9.535e+05 0.00e+00 a 0 0 0 0 0 >> 206 0.875 42.174 8.496 1 T 9.796e+05 0.00e+00 a 0 0 0 0 0 >> 207 3.190 39.711 8.515 1 T 1.154e+06 0.00e+00 a 0 0 0 0 0 >> 208 7.229 38.991 8.506 1 T 8.641e+05 0.00e+00 a 0 0 0 0 0 >> 209 5.458 50.341 8.473 1 T 1.368e+06 0.00e+00 a 0 0 0 0 0 >> 210 3.524 42.207 8.480 1 T 9.970e+05 0.00e+00 a 0 0 0 0 0 >> 211 2.827 37.447 8.489 1 T 1.249e+06 0.00e+00 a 0 0 0 0 0 >> 212 3.761 69.463 8.451 1 T 1.255e+06 0.00e+00 a 0 0 0 0 0 >> 213 3.994 62.878 8.464 1 T 3.533e+06 0.00e+00 a 0 0 0 0 0 >> 214 3.198 56.894 8.455 1 T 9.462e+05 0.00e+00 a 0 0 0 0 0 >> 215 3.706 48.805 8.463 1 T 9.341e+05 0.00e+00 a 0 0 0 0 0 >> 216 3.756 45.068 8.467 1 T 1.501e+06 0.00e+00 a 0 0 0 0 0 >> 217 1.237 35.136 8.459 1 T 9.274e+05 0.00e+00 a 0 0 0 0 0 >> 218 0.747 18.526 8.450 1 T 1.870e+06 0.00e+00 a 0 0 0 0 0 >> 219 3.610 66.680 8.429 1 T 1.147e+06 0.00e+00 a 0 0 0 0 0 >> 220 1.449 41.294 8.424 1 T 1.544e+06 0.00e+00 a 0 0 0 0 0 >> 221 3.820 59.887 8.399 1 T 2.079e+06 0.00e+00 a 0 0 0 0 0 >> 222 4.325 57.780 8.396 1 T 4.349e+06 0.00e+00 a 0 0 0 0 0 >> 223 -0.525 37.791 8.403 1 T 8.255e+05 0.00e+00 a 0 0 0 0 0 >> 224 1.470 26.136 8.417 1 T 4.405e+06 0.00e+00 a 0 0 0 0 0 >> 225 0.847 14.742 8.407 1 T 1.268e+06 0.00e+00 a 0 0 0 0 0 >> 226 4.187 70.529 8.379 1 T 1.002e+06 0.00e+00 a 0 0 0 0 0 >> 227 5.519 57.885 8.390 1 T 1.315e+06 0.00e+00 a 0 0 0 0 0 >> 228 3.225 56.870 8.386 1 T 9.427e+05 0.00e+00 a 0 0 0 0 0 >> 229 6.527 49.613 8.377 1 T 9.301e+05 0.00e+00 a 0 0 0 0 0 >> 230 2.859 41.182 8.370 1 T 3.773e+06 0.00e+00 a 0 0 0 0 0 >> 231 1.261 34.997 8.386 1 T 9.580e+05 0.00e+00 a 0 0 0 0 0 >> 232 2.893 33.883 8.387 1 T 9.743e+05 0.00e+00 a 0 0 0 0 0 >> 233 -0.263 21.424 8.382 1 T 1.211e+06 0.00e+00 a 0 0 0 0 0 >> 234 0.717 14.112 8.388 1 T 1.254e+06 0.00e+00 a 0 0 0 0 0 >> 235 1.213 13.219 8.377 1 T 9.021e+05 0.00e+00 a 0 0 0 0 0 >> 236 5.565 52.611 8.358 1 T 1.049e+06 0.00e+00 a 0 0 0 0 0 >> 237 4.026 7.657 8.364 1 T 1.013e+06 0.00e+00 a 0 0 0 0 0 >> 238 3.993 51.602 8.335 1 T 1.492e+06 0.00e+00 a 0 0 0 0 0 >> 239 3.735 50.477 8.325 1 T 1.193e+06 0.00e+00 a 0 0 0 0 0 >> 240 6.527 49.557 8.337 1 T 9.427e+05 0.00e+00 a 0 0 0 0 0 >> 241 0.690 13.980 8.344 1 T 1.200e+06 0.00e+00 a 0 0 0 0 0 >> 242 4.110 56.924 8.307 1 T 4.038e+06 0.00e+00 a 0 0 0 0 0 >> 243 3.776 50.564 8.310 1 T 1.201e+06 0.00e+00 a 0 0 0 0 0 >> 244 9.582 47.257 8.320 1 T 9.133e+05 0.00e+00 a 0 0 0 0 0 >> 245 2.994 45.090 8.313 1 T 9.671e+05 0.00e+00 a 0 0 0 0 0 >> 246 2.274 41.634 8.303 1 T 1.770e+06 0.00e+00 a 0 0 0 0 0 >> 247 2.927 29.955 8.308 1 T 1.022e+06 0.00e+00 a 0 0 0 0 0 >> 248 -0.184 19.652 8.296 1 T 1.428e+06 0.00e+00 a 0 0 0 0 0 >> 249 7.211 49.614 8.280 1 T 1.155e+06 0.00e+00 a 0 0 0 0 0 >> 250 7.166 49.510 8.278 1 T 1.177e+06 0.00e+00 a 0 0 0 0 0 >> 251 3.355 45.011 8.285 1 T 1.452e+06 0.00e+00 a 0 0 0 0 0 >> 252 1.822 43.866 8.288 1 T 9.268e+05 0.00e+00 a 0 0 0 0 0 >> 253 2.993 30.095 8.295 1 T 9.996e+05 0.00e+00 a 0 0 0 0 0 >> 254 3.845 51.010 8.252 1 T 1.192e+06 0.00e+00 a 0 0 0 0 0 >> 255 2.602 35.916 8.271 1 T 1.078e+06 0.00e+00 a 0 0 0 0 0 >> 256 3.180 49.815 8.247 1 T 1.280e+06 0.00e+00 a 0 0 0 0 0 >> 257 2.535 43.711 8.198 1 T 8.985e+05 0.00e+00 a 0 0 0 0 0 >> 258 -0.732 16.973 8.203 1 T 1.002e+06 0.00e+00 a 0 0 0 0 0 >> 259 3.630 58.468 8.194 1 T 1.802e+06 0.00e+00 a 0 0 0 0 0 >> 260 1.528 54.582 8.187 1 T 9.590e+05 0.00e+00 a 0 0 0 0 0 >> 261 2.133 53.244 8.179 1 T 1.127e+06 0.00e+00 a 0 0 0 0 0 >> 262 1.154 18.185 8.174 1 T 2.654e+06 0.00e+00 a 0 0 0 0 0 >> 263 1.797 38.162 8.151 1 T 1.253e+06 0.00e+00 a 0 0 0 0 0 >> 264 4.845 61.115 8.124 1 T 1.933e+06 0.00e+00 a 0 0 0 0 0 >> 265 -0.739 16.809 8.148 1 T 9.519e+05 0.00e+00 a 0 0 0 0 0 >> 266 3.102 53.046 8.099 1 T 1.180e+06 0.00e+00 a 0 0 0 0 0 >> 267 2.456 32.004 8.110 1 T 1.532e+06 0.00e+00 a 0 0 0 0 0 >> 268 0.356 29.336 8.120 1 T 9.131e+05 0.00e+00 a 0 0 0 0 0 >> 269 4.998 50.918 8.083 1 T 2.639e+06 0.00e+00 a 0 0 0 0 0 >> 270 3.940 45.604 8.089 1 T 1.071e+06 0.00e+00 a 0 0 0 0 0 >> 271 2.116 45.722 8.098 1 T 9.228e+05 0.00e+00 a 0 0 0 0 0 >> 272 2.083 35.787 8.078 1 T 1.525e+06 0.00e+00 a 0 0 0 0 0 >> 273 2.430 31.654 8.093 1 T 1.579e+06 0.00e+00 a 0 0 0 0 0 >> 274 -0.793 26.428 8.065 1 T 9.947e+05 0.00e+00 a 0 0 0 0 0 >> 275 3.084 52.967 8.045 1 T 1.194e+06 0.00e+00 a 0 0 0 0 0 >> 276 2.562 39.857 8.036 1 T 2.662e+06 0.00e+00 a 0 0 0 0 0 >> 277 0.185 24.629 8.025 1 T 9.852e+05 0.00e+00 a 0 0 0 0 0 >> 278 1.939 23.989 8.035 1 T 9.092e+05 0.00e+00 a 0 0 0 0 0 >> 279 1.820 37.719 8.011 1 T 1.222e+06 0.00e+00 a 0 0 0 0 0 >> 280 4.240 56.014 7.980 1 T 4.182e+06 0.00e+00 a 0 0 0 0 0 >> 281 1.585 57.829 7.954 1 T 9.776e+05 0.00e+00 a 0 0 0 0 0 >> 282 4.858 52.578 7.960 1 T 4.291e+06 0.00e+00 a 0 0 0 0 0 >> 283 1.849 37.661 7.966 1 T 1.213e+06 0.00e+00 a 0 0 0 0 0 >> 284 1.802 37.477 7.951 1 T 1.236e+06 0.00e+00 a 0 0 0 0 0 >> 285 2.979 37.149 7.954 1 T 9.800e+05 0.00e+00 a 0 0 0 0 0 >> 286 1.978 24.225 7.960 1 T 9.691e+05 0.00e+00 a 0 0 0 0 0 >> 287 0.052 21.641 7.964 1 T 1.031e+06 0.00e+00 a 0 0 0 0 0 >> 288 4.108 15.331 7.959 1 T 1.000e+06 0.00e+00 a 0 0 0 0 0 >> 289 10.455 72.036 7.940 1 T 9.469e+05 0.00e+00 a 0 0 0 0 0 >> 290 4.195 67.804 7.950 1 T 1.933e+06 0.00e+00 a 0 0 0 0 0 >> 291 8.684 64.067 7.936 1 T 9.811e+05 0.00e+00 a 0 0 0 0 0 >> 292 5.486 56.054 7.933 1 T 9.544e+05 0.00e+00 a 0 0 0 0 0 >> 293 3.606 45.605 7.932 1 T 1.299e+06 0.00e+00 a 0 0 0 0 0 >> 294 0.178 24.778 7.937 1 T 9.659e+05 0.00e+00 a 0 0 0 0 0 >> 295 1.731 42.529 7.905 1 T 1.158e+06 0.00e+00 a 0 0 0 0 0 >> 296 1.779 37.271 7.907 1 T 1.203e+06 0.00e+00 a 0 0 0 0 0 >> 297 2.916 36.958 7.923 1 T 9.216e+05 0.00e+00 a 0 0 0 0 0 >> 298 0.195 29.531 7.920 1 T 9.846e+05 0.00e+00 a 0 0 0 0 0 >> 299 0.688 28.848 7.923 1 T 1.400e+06 0.00e+00 a 0 0 0 0 0 >> 300 10.499 20.552 7.902 1 T 9.200e+05 0.00e+00 a 0 0 0 0 0 >> 301 4.085 15.195 7.916 1 T 1.039e+06 0.00e+00 a 0 0 0 0 0 >> 302 5.545 9.168 7.887 1 T 8.570e+05 0.00e+00 a 0 0 0 0 0 >> 303 4.057 14.687 7.859 1 T 1.056e+06 0.00e+00 a 0 0 0 0 0 >> 304 2.215 52.767 7.850 1 T 1.065e+06 0.00e+00 a 0 0 0 0 0 >> 305 1.542 38.778 7.843 1 T 1.221e+06 0.00e+00 a 0 0 0 0 0 >> 306 3.538 56.508 7.817 1 T 2.564e+06 0.00e+00 a 0 0 0 0 0 >> 307 1.897 55.294 7.807 1 T 1.297e+06 0.00e+00 a 0 0 0 0 0 >> 308 1.750 41.975 7.819 1 T 1.077e+06 0.00e+00 a 0 0 0 0 0 >> 309 0.835 30.765 7.816 1 T 1.513e+06 0.00e+00 a 0 0 0 0 0 >> 310 0.884 28.445 7.806 1 T 1.360e+06 0.00e+00 a 0 0 0 0 0 >> 311 -0.873 20.093 7.812 1 T 9.303e+05 0.00e+00 a 0 0 0 0 0 >> 312 2.886 41.813 7.780 1 T 4.290e+06 0.00e+00 a 0 0 0 0 0 >> 313 1.543 38.885 7.801 1 T 1.178e+06 0.00e+00 a 0 0 0 0 0 >> 314 1.792 36.884 7.795 1 T 1.151e+06 0.00e+00 a 0 0 0 0 0 >> 315 1.065 33.117 7.781 1 T 1.475e+06 0.00e+00 a 0 0 0 0 0 >> 316 2.255 53.051 7.768 1 T 9.679e+05 0.00e+00 a 0 0 0 0 0 >> 317 1.822 52.985 7.767 1 T 1.148e+06 0.00e+00 a 0 0 0 0 0 >> 318 1.925 41.292 7.759 1 T 1.064e+06 0.00e+00 a 0 0 0 0 0 >> 319 4.111 44.903 7.733 1 T 1.363e+06 0.00e+00 a 0 0 0 0 0 >> 320 1.592 35.109 7.738 1 T 1.630e+06 0.00e+00 a 0 0 0 0 0 >> 321 3.598 59.540 7.720 1 T 1.510e+06 0.00e+00 a 0 0 0 0 0 >> 322 3.972 69.239 7.694 1 T 9.972e+05 0.00e+00 a 0 0 0 0 0 >> 323 1.811 53.108 7.700 1 T 1.143e+06 0.00e+00 a 0 0 0 0 0 >> 324 3.331 52.630 7.701 1 T 1.791e+06 0.00e+00 a 0 0 0 0 0 >> 325 4.141 44.808 7.691 1 T 1.369e+06 0.00e+00 a 0 0 0 0 0 >> 326 4.999 48.203 7.659 1 T 1.167e+06 0.00e+00 a 0 0 0 0 0 >> 327 3.454 45.869 7.642 1 T 9.147e+05 0.00e+00 a 0 0 0 0 0 >> 328 1.463 37.100 7.614 1 T 9.995e+05 0.00e+00 a 0 0 0 0 0 >> 329 3.960 69.047 7.585 1 T 9.511e+05 0.00e+00 a 0 0 0 0 0 >> 330 2.366 53.455 7.591 1 T 9.137e+05 0.00e+00 a 0 0 0 0 0 >> 331 5.011 48.323 7.599 1 T 1.072e+06 0.00e+00 a 0 0 0 0 0 >> 332 4.300 70.727 7.559 1 T 1.042e+06 0.00e+00 a 0 0 0 0 0 >> 333 3.471 64.507 7.567 1 T 1.602e+06 0.00e+00 a 0 0 0 0 0 >> 334 2.130 57.725 7.568 1 T 8.886e+05 0.00e+00 a 0 0 0 0 0 >> 335 -0.038 30.224 7.570 1 T 1.156e+06 0.00e+00 a 0 0 0 0 0 >> 336 2.164 57.792 7.552 1 T 9.121e+05 0.00e+00 a 0 0 0 0 0 >> 337 3.169 57.408 7.554 1 T 1.036e+06 0.00e+00 a 0 0 0 0 0 >> 338 4.532 53.226 7.548 1 T 3.859e+06 0.00e+00 a 0 0 0 0 0 >> 339 1.824 16.610 7.534 1 T 9.606e+05 0.00e+00 a 0 0 0 0 0 >> 340 6.129 35.758 7.522 1 T 9.443e+05 0.00e+00 a 0 0 0 0 0 >> 341 2.790 35.267 7.516 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0 >> 342 0.055 30.483 7.515 1 T 1.095e+06 0.00e+00 a 0 0 0 0 0 >> 343 -0.775 13.750 7.511 1 T 1.222e+06 0.00e+00 a 0 0 0 0 0 >> 344 0.537 13.399 7.512 1 T 1.994e+06 0.00e+00 a 0 0 0 0 0 >> 345 3.876 49.795 7.464 1 T 9.757e+05 0.00e+00 a 0 0 0 0 0 >> 346 1.129 18.051 7.477 1 T 1.846e+06 0.00e+00 a 0 0 0 0 0 >> 347 0.914 13.729 7.462 1 T 1.150e+06 0.00e+00 a 0 0 0 0 0 >> 348 3.305 60.382 7.448 1 T 1.381e+06 0.00e+00 a 0 0 0 0 0 >> 349 0.092 28.282 7.446 1 T 1.127e+06 0.00e+00 a 0 0 0 0 0 >> 350 2.220 22.711 7.444 1 T 9.240e+05 0.00e+00 a 0 0 0 0 0 >> 351 1.252 22.273 7.444 1 T 3.280e+06 0.00e+00 a 0 0 0 0 0 >> 352 2.862 41.026 7.425 1 T 4.987e+06 0.00e+00 a 0 0 0 0 0 >> 353 2.717 27.196 7.417 1 T 1.079e+06 0.00e+00 a 0 0 0 0 0 >> 354 0.736 21.978 7.394 1 T 8.457e+06 0.00e+00 a 0 0 0 0 0 >> 355 0.626 18.575 7.387 1 T 2.398e+06 0.00e+00 a 0 0 0 0 0 >> 356 0.852 16.814 7.385 1 T 1.827e+06 0.00e+00 a 0 0 0 0 0 >> 357 1.009 59.489 7.378 1 T 9.128e+05 0.00e+00 a 0 0 0 0 0 >> 358 -0.403 13.042 7.369 1 T 1.062e+06 0.00e+00 a 0 0 0 0 0 >> 359 6.585 47.749 7.351 1 T 9.762e+05 0.00e+00 a 0 0 0 0 0 >> 360 3.251 37.282 7.343 1 T 1.445e+06 0.00e+00 a 0 0 0 0 0 >> 361 4.111 27.930 7.345 1 T 9.678e+05 0.00e+00 a 0 0 0 0 0 >> 362 2.975 21.998 7.348 1 T 8.424e+05 0.00e+00 a 0 0 0 0 0 >> 363 6.114 53.113 7.325 1 T 9.705e+05 0.00e+00 a 0 0 0 0 0 >> 364 4.371 44.643 7.328 1 T 1.279e+06 0.00e+00 a 0 0 0 0 0 >> 365 2.802 33.326 7.315 1 T 1.213e+06 0.00e+00 a 0 0 0 0 0 >> 366 2.404 28.266 7.318 1 T 1.827e+06 0.00e+00 a 0 0 0 0 0 >> 367 0.325 16.090 7.310 1 T 9.932e+05 0.00e+00 a 0 0 0 0 0 >> 368 1.038 14.520 7.318 1 T 1.340e+06 0.00e+00 a 0 0 0 0 0 >> 369 4.469 43.798 7.290 1 T 1.037e+06 0.00e+00 a 0 0 0 0 0 >> 370 3.498 47.489 7.280 1 T 9.986e+05 0.00e+00 a 0 0 0 0 0 >> 371 1.519 42.393 7.269 1 T 1.510e+06 0.00e+00 a 0 0 0 0 0 >> 372 1.192 41.026 7.272 1 T 1.522e+06 0.00e+00 a 0 0 0 0 0 >> 373 0.346 31.855 7.261 1 T 1.049e+06 0.00e+00 a 0 0 0 0 0 >> 374 4.840 61.156 7.241 1 T 2.718e+06 0.00e+00 a 0 0 0 0 0 >> 375 6.197 55.861 7.243 1 T 9.353e+05 0.00e+00 a 0 0 0 0 0 >> 376 6.825 42.362 7.259 1 T 1.277e+06 0.00e+00 a 0 0 0 0 0 >> 377 1.673 37.540 7.244 1 T 9.647e+05 0.00e+00 a 0 0 0 0 0 >> 378 -0.554 36.524 7.240 1 T 9.026e+05 0.00e+00 a 0 0 0 0 0 >> 379 6.225 55.930 7.226 1 T 9.620e+05 0.00e+00 a 0 0 0 0 0 >> 380 6.455 53.697 7.220 1 T 1.009e+06 0.00e+00 a 0 0 0 0 0 >> 381 2.845 41.315 7.230 1 T 4.778e+06 0.00e+00 a 0 0 0 0 0 >> 382 3.134 28.660 7.231 1 T 1.341e+06 0.00e+00 a 0 0 0 0 0 >> 383 1.507 26.473 7.222 1 T 5.550e+06 0.00e+00 a 0 0 0 0 0 >> 384 1.360 18.980 7.215 1 T 3.846e+06 0.00e+00 a 0 0 0 0 0 >> 385 1.990 47.235 7.201 1 T 9.539e+05 0.00e+00 a 0 0 0 0 0 >> 386 3.978 70.877 7.173 1 T 1.303e+06 0.00e+00 a 0 0 0 0 0 >> 387 2.849 63.603 7.174 1 T 1.461e+06 0.00e+00 a 0 0 0 0 0 >> 388 4.480 54.456 7.184 1 T 5.684e+06 0.00e+00 a 0 0 0 0 0 >> 389 1.712 54.344 7.170 1 T 1.340e+06 0.00e+00 a 0 0 0 0 0 >> 390 1.494 42.047 7.181 1 T 1.570e+06 0.00e+00 a 0 0 0 0 0 >> 391 1.790 40.925 7.176 1 T 1.785e+06 0.00e+00 a 0 0 0 0 0 >> 392 1.209 35.456 7.165 1 T 1.262e+06 0.00e+00 a 0 0 0 0 0 >> 393 2.063 35.263 7.163 1 T 1.893e+06 0.00e+00 a 0 0 0 0 0 >> 394 5.375 56.444 7.141 1 T 1.226e+06 0.00e+00 a 0 0 0 0 0 >> 395 1.687 43.960 7.146 1 T 1.638e+06 0.00e+00 a 0 0 0 0 0 >> 396 2.092 32.969 7.147 1 T 4.305e+06 0.00e+00 a 0 0 0 0 0 >> 397 0.376 31.574 7.139 1 T 9.760e+05 0.00e+00 a 0 0 0 0 0 >> 398 4.469 60.639 7.128 1 T 3.177e+06 0.00e+00 a 0 0 0 0 0 >> 399 3.840 58.204 7.121 1 T 4.351e+06 0.00e+00 a 0 0 0 0 0 >> 400 2.477 53.273 7.117 1 T 1.070e+06 0.00e+00 a 0 0 0 0 0 >> 401 1.377 52.922 7.128 1 T 9.090e+05 0.00e+00 a 0 0 0 0 0 >> 402 6.527 39.619 7.120 1 T 1.727e+06 0.00e+00 a 0 0 0 0 0 >> 403 2.410 38.529 7.113 1 T 2.226e+06 0.00e+00 a 0 0 0 0 0 >> 404 3.267 31.110 7.125 1 T 1.075e+06 0.00e+00 a 0 0 0 0 0 >> 405 1.499 31.068 7.135 1 T 3.750e+06 0.00e+00 a 0 0 0 0 0 >> 406 4.079 62.841 7.102 1 T 3.249e+06 0.00e+00 a 0 0 0 0 0 >> 407 7.478 61.088 7.101 1 T 8.940e+05 0.00e+00 a 0 0 0 0 0 >> 408 5.991 54.381 7.093 1 T 9.387e+05 0.00e+00 a 0 0 0 0 0 >> 409 1.711 54.267 7.106 1 T 1.357e+06 0.00e+00 a 0 0 0 0 0 >> 410 3.318 52.700 7.105 1 T 1.839e+06 0.00e+00 a 0 0 0 0 0 >> 411 4.063 44.949 7.089 1 T 1.151e+06 0.00e+00 a 0 0 0 0 0 >> 412 1.215 43.086 7.099 1 T 1.377e+06 0.00e+00 a 0 0 0 0 0 >> 413 1.473 41.796 7.095 1 T 1.606e+06 0.00e+00 a 0 0 0 0 0 >> 414 6.751 37.142 7.104 1 T 1.088e+06 0.00e+00 a 0 0 0 0 0 >> 415 0.401 31.458 7.100 1 T 9.843e+05 0.00e+00 a 0 0 0 0 0 >> 416 0.745 25.298 7.102 1 T 4.603e+06 0.00e+00 a 0 0 0 0 0 >> 417 3.340 63.773 7.075 1 T 2.601e+06 0.00e+00 a 0 0 0 0 0 >> 418 4.966 51.008 7.070 1 T 2.506e+06 0.00e+00 a 0 0 0 0 0 >> 419 3.081 49.623 7.082 1 T 2.139e+06 0.00e+00 a 0 0 0 0 0 >> 420 6.200 47.141 7.080 1 T 1.196e+06 0.00e+00 a 0 0 0 0 0 >> 421 2.160 39.342 7.068 1 T 2.111e+06 0.00e+00 a 0 0 0 0 0 >> 422 2.456 53.375 7.046 1 T 1.110e+06 0.00e+00 a 0 0 0 0 0 >> 423 5.479 52.699 7.041 1 T 1.073e+06 0.00e+00 a 0 0 0 0 0 >> 424 4.309 45.281 7.039 1 T 1.093e+06 0.00e+00 a 0 0 0 0 0 >> 425 4.181 43.837 7.050 1 T 1.474e+06 0.00e+00 a 0 0 0 0 0 >> 426 2.196 43.455 7.045 1 T 1.484e+06 0.00e+00 a 0 0 0 0 0 >> 427 0.883 41.632 7.048 1 T 1.170e+06 0.00e+00 a 0 0 0 0 0 >> 428 -0.364 31.139 7.039 1 T 1.119e+06 0.00e+00 a 0 0 0 0 0 >> 429 -0.293 12.968 7.047 1 T 1.029e+06 0.00e+00 a 0 0 0 0 0 >> 430 3.471 70.336 7.033 1 T 9.630e+05 0.00e+00 a 0 0 0 0 0 >> 431 5.560 52.817 7.029 1 T 1.081e+06 0.00e+00 a 0 0 0 0 0 >> 432 1.961 36.829 7.017 1 T 1.655e+06 0.00e+00 a 0 0 0 0 0 >> 433 0.823 31.682 7.031 1 T 1.475e+06 0.00e+00 a 0 0 0 0 0 >> 434 1.685 28.852 7.028 1 T 5.516e+06 0.00e+00 a 0 0 0 0 0 >> 435 3.296 27.833 7.024 1 T 1.384e+06 0.00e+00 a 0 0 0 0 0 >> 436 -0.329 26.615 7.038 1 T 1.017e+06 0.00e+00 a 0 0 0 0 0 >> 437 -0.718 13.729 7.018 1 T 1.035e+06 0.00e+00 a 0 0 0 0 0 >> 438 2.303 54.308 6.997 1 T 1.081e+06 0.00e+00 a 0 0 0 0 0 >> 439 3.543 49.688 7.006 1 T 1.322e+06 0.00e+00 a 0 0 0 0 0 >> 440 2.840 41.587 7.012 1 T 5.201e+06 0.00e+00 a 0 0 0 0 0 >> 441 3.094 29.319 7.010 1 T 1.276e+06 0.00e+00 a 0 0 0 0 0 >> 442 0.976 14.276 6.994 1 T 1.237e+06 0.00e+00 a 0 0 0 0 0 >> 443 1.726 46.575 6.970 1 T 1.236e+06 0.00e+00 a 0 0 0 0 0 >> 444 3.352 43.679 6.982 1 T 1.342e+06 0.00e+00 a 0 0 0 0 0 >> 445 0.460 31.282 6.979 1 T 1.062e+06 0.00e+00 a 0 0 0 0 0 >> 446 -0.155 15.788 6.987 1 T 9.460e+05 0.00e+00 a 0 0 0 0 0 >> 447 4.100 70.048 6.964 1 T 1.207e+06 0.00e+00 a 0 0 0 0 0 >> 448 5.065 60.105 6.958 1 T 1.648e+06 0.00e+00 a 0 0 0 0 0 >> 449 2.330 54.178 6.942 1 T 1.157e+06 0.00e+00 a 0 0 0 0 0 >> 450 5.164 54.851 6.937 1 T 1.920e+06 0.00e+00 a 0 0 0 0 0 >> 451 5.937 48.168 6.923 1 T 1.154e+06 0.00e+00 a 0 0 0 0 0 >> 452 3.712 48.256 6.933 1 T 1.181e+06 0.00e+00 a 0 0 0 0 0 >> 453 0.435 12.705 6.935 1 T 1.324e+06 0.00e+00 a 0 0 0 0 0 >> 454 4.130 69.950 6.906 1 T 1.186e+06 0.00e+00 a 0 0 0 0 0 >> 455 1.556 63.196 6.915 1 T 1.002e+06 0.00e+00 a 0 0 0 0 0 >> 456 5.646 53.321 6.891 1 T 1.091e+06 0.00e+00 a 0 0 0 0 0 >> 457 1.930 53.128 6.894 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0 >> 458 3.066 44.380 6.915 1 T 1.527e+06 0.00e+00 a 0 0 0 0 0 >> 459 10.330 6.922 6.911 1 T 9.910e+05 0.00e+00 a 0 0 0 0 0 >> 460 0.953 66.799 6.889 1 T 9.590e+05 0.00e+00 a 0 0 0 0 0 >> 461 1.447 54.490 6.878 1 T 9.077e+05 0.00e+00 a 0 0 0 0 0 >> 462 2.409 44.084 6.884 1 T 1.721e+06 0.00e+00 a 0 0 0 0 0 >> 463 -0.680 28.592 6.870 1 T 9.128e+05 0.00e+00 a 0 0 0 0 0 >> 464 2.084 24.382 6.870 1 T 1.120e+06 0.00e+00 a 0 0 0 0 0 >> 465 3.582 67.261 6.826 1 T 1.047e+06 0.00e+00 a 0 0 0 0 0 >> 466 0.260 65.505 6.824 1 T 8.837e+05 0.00e+00 a 0 0 0 0 0 >> 467 1.573 63.104 6.826 1 T 9.490e+05 0.00e+00 a 0 0 0 0 0 >> 468 5.696 53.473 6.831 1 T 1.149e+06 0.00e+00 a 0 0 0 0 0 >> 469 10.118 71.117 6.793 1 T 9.042e+05 0.00e+00 a 0 0 0 0 0 >> 470 3.228 44.568 6.789 1 T 1.314e+06 0.00e+00 a 0 0 0 0 0 >> 471 6.365 40.519 6.772 1 T 1.121e+06 0.00e+00 a 0 0 0 0 0 >> 472 3.728 55.443 6.751 1 T 1.671e+06 0.00e+00 a 0 0 0 0 0 >> 473 5.981 49.967 6.767 1 T 1.021e+06 0.00e+00 a 0 0 0 0 0 >> 474 4.190 69.641 6.741 1 T 1.109e+06 0.00e+00 a 0 0 0 0 0 >> 475 5.453 50.272 6.723 1 T 1.074e+06 0.00e+00 a 0 0 0 0 0 >> 476 3.554 45.348 6.727 1 T 1.355e+06 0.00e+00 a 0 0 0 0 0 >> 477 3.373 39.018 6.727 1 T 1.093e+06 0.00e+00 a 0 0 0 0 0 >> 478 2.050 54.333 6.705 1 T 9.361e+05 0.00e+00 a 0 0 0 0 0 >> 479 2.394 43.798 6.691 1 T 1.672e+06 0.00e+00 a 0 0 0 0 0 >> 480 1.205 18.137 6.685 1 T 1.908e+06 0.00e+00 a 0 0 0 0 0 >> 481 5.925 57.267 6.658 1 T 1.260e+06 0.00e+00 a 0 0 0 0 0 >> 482 3.185 56.920 6.657 1 T 1.289e+06 0.00e+00 a 0 0 0 0 0 >> 483 2.029 54.220 6.656 1 T 9.698e+05 0.00e+00 a 0 0 0 0 0 >> 484 5.485 50.144 6.623 1 T 1.117e+06 0.00e+00 a 0 0 0 0 0 >> 485 5.051 48.667 6.621 1 T 1.686e+06 0.00e+00 a 0 0 0 0 0 >> 486 3.095 37.283 6.625 1 T 1.168e+06 0.00e+00 a 0 0 0 0 0 >> 487 2.547 37.172 6.594 1 T 1.193e+06 0.00e+00 a 0 0 0 0 0 >> 488 0.240 24.435 6.576 1 T 1.259e+06 0.00e+00 a 0 0 0 0 0 >> 489 4.244 67.923 6.547 1 T 1.761e+06 0.00e+00 a 0 0 0 0 0 >> 490 3.094 60.447 6.549 1 T 9.175e+05 0.00e+00 a 0 0 0 0 0 >> 491 3.338 52.840 6.549 1 T 1.211e+06 0.00e+00 a 0 0 0 0 0 >> 492 7.707 49.163 6.557 1 T 9.855e+05 0.00e+00 a 0 0 0 0 0 >> 493 6.870 42.780 6.570 1 T 1.015e+06 0.00e+00 a 0 0 0 0 0 >> 494 0.178 24.354 6.560 1 T 1.251e+06 0.00e+00 a 0 0 0 0 0 >> 495 0.356 18.390 6.562 1 T 1.410e+06 0.00e+00 a 0 0 0 0 0 >> 496 8.316 15.833 6.551 1 T 8.918e+05 0.00e+00 a 0 0 0 0 0 >> 497 2.914 53.312 6.535 1 T 9.332e+05 0.00e+00 a 0 0 0 0 0 >> 498 3.141 37.610 6.542 1 T 1.140e+06 0.00e+00 a 0 0 0 0 0 >> 499 0.156 24.313 6.539 1 T 1.247e+06 0.00e+00 a 0 0 0 0 0 >> 500 5.123 55.608 6.499 1 T 1.262e+06 0.00e+00 a 0 0 0 0 0 >> 501 0.518 32.939 6.513 1 T 9.972e+05 0.00e+00 a 0 0 0 0 0 >> 502 1.803 18.153 6.509 1 T 9.282e+05 0.00e+00 a 0 0 0 0 0 >> 503 1.908 16.688 6.510 1 T 9.001e+05 0.00e+00 a 0 0 0 0 0 >> 504 0.568 13.467 6.480 1 T 1.270e+06 0.00e+00 a 0 0 0 0 0 >> 505 1.014 51.531 6.464 1 T 1.009e+06 0.00e+00 a 0 0 0 0 0 >> 506 2.933 50.297 6.460 1 T 1.015e+06 0.00e+00 a 0 0 0 0 0 >> 507 1.599 41.059 6.460 1 T 1.328e+06 0.00e+00 a 0 0 0 0 0 >> 508 6.134 35.803 6.459 1 T 9.292e+05 0.00e+00 a 0 0 0 0 0 >> 509 6.196 35.640 6.449 1 T 9.311e+05 0.00e+00 a 0 0 0 0 0 >> 510 1.078 33.343 6.455 1 T 1.121e+06 0.00e+00 a 0 0 0 0 0 >> 511 1.428 33.485 6.425 1 T 1.192e+06 0.00e+00 a 0 0 0 0 0 >> 512 -0.017 23.361 6.423 1 T 1.098e+06 0.00e+00 a 0 0 0 0 0 >> 513 3.274 63.750 6.410 1 T 1.057e+06 0.00e+00 a 0 0 0 0 0 >> 514 2.774 63.732 6.413 1 T 1.115e+06 0.00e+00 a 0 0 0 0 0 >> 515 5.412 56.589 6.421 1 T 1.044e+06 0.00e+00 a 0 0 0 0 0 >> 516 2.900 41.782 6.410 1 T 3.106e+06 0.00e+00 a 0 0 0 0 0 >> 517 3.187 31.237 6.409 1 T 9.867e+05 0.00e+00 a 0 0 0 0 0 >> 518 1.430 44.134 6.378 1 T 1.143e+06 0.00e+00 a 0 0 0 0 0 >> 519 1.927 33.224 6.378 1 T 1.685e+06 0.00e+00 a 0 0 0 0 0 >> 520 0.525 31.236 6.393 1 T 9.835e+05 0.00e+00 a 0 0 0 0 0 >> 521 0.931 29.680 6.386 1 T 1.109e+06 0.00e+00 a 0 0 0 0 0 >> 522 1.469 41.709 6.352 1 T 1.085e+06 0.00e+00 a 0 0 0 0 0 >> 523 4.459 61.272 6.342 1 T 1.354e+06 0.00e+00 a 0 0 0 0 0 >> 524 4.975 61.064 6.305 1 T 9.245e+05 0.00e+00 a 0 0 0 0 0 >> 525 1.738 34.301 6.302 1 T 1.335e+06 0.00e+00 a 0 0 0 0 0 >> 526 0.384 38.450 6.259 1 T 8.889e+05 0.00e+00 a 0 0 0 0 0 >> 527 7.398 49.389 6.248 1 T 9.132e+05 0.00e+00 a 0 0 0 0 0 >> 528 0.166 25.084 6.226 1 T 1.205e+06 0.00e+00 a 0 0 0 0 0 >> 529 3.555 67.064 6.218 1 T 9.814e+05 0.00e+00 a 0 0 0 0 0 >> 530 2.003 63.824 6.197 1 T 9.365e+05 0.00e+00 a 0 0 0 0 0 >> 531 7.012 49.045 6.195 1 T 1.220e+06 0.00e+00 a 0 0 0 0 0 >> 532 0.308 25.899 6.191 1 T 1.001e+06 0.00e+00 a 0 0 0 0 0 >> 533 5.731 52.438 6.152 1 T 1.044e+06 0.00e+00 a 0 0 0 0 0 >> 534 5.661 44.647 6.172 1 T 1.346e+06 0.00e+00 a 0 0 0 0 0 >> 535 5.554 18.183 6.156 1 T 9.655e+05 0.00e+00 a 0 0 0 0 0 >> 536 4.870 51.421 6.132 1 T 1.306e+06 0.00e+00 a 0 0 0 0 0 >> 537 1.967 30.489 6.139 1 T 1.517e+06 0.00e+00 a 0 0 0 0 0 >> 538 5.422 55.981 6.127 1 T 9.933e+05 0.00e+00 a 0 0 0 0 0 >> 539 4.910 51.016 6.125 1 T 1.295e+06 0.00e+00 a 0 0 0 0 0 >> 540 2.627 26.840 6.104 1 T 1.088e+06 0.00e+00 a 0 0 0 0 0 >> 541 0.348 26.184 6.123 1 T 1.026e+06 0.00e+00 a 0 0 0 0 0 >> 542 -0.118 20.833 6.088 1 T 1.161e+06 0.00e+00 a 0 0 0 0 0 >> 543 1.361 19.292 6.098 1 T 1.386e+06 0.00e+00 a 0 0 0 0 0 >> 544 3.815 55.968 6.068 1 T 9.267e+05 0.00e+00 a 0 0 0 0 0 >> 545 4.914 50.736 6.072 1 T 1.260e+06 0.00e+00 a 0 0 0 0 0 >> 546 0.449 16.290 6.073 1 T 1.019e+06 0.00e+00 a 0 0 0 0 0 >> 547 6.867 12.620 6.044 1 T 1.015e+06 0.00e+00 a 0 0 0 0 0 >> 548 3.678 37.807 6.018 1 T 9.645e+05 0.00e+00 a 0 0 0 0 0 >> 549 1.194 26.918 6.015 1 T 1.730e+06 0.00e+00 a 0 0 0 0 0 >> 550 0.487 16.135 6.017 1 T 1.015e+06 0.00e+00 a 0 0 0 0 0 >> 551 0.692 15.054 6.013 1 T 1.074e+06 0.00e+00 a 0 0 0 0 0 >> 552 1.091 14.439 6.006 1 T 1.162e+06 0.00e+00 a 0 0 0 0 0 >> 553 2.407 39.320 5.994 1 T 1.177e+06 0.00e+00 a 0 0 0 0 0 >> 554 2.067 27.101 5.982 1 T 1.141e+06 0.00e+00 a 0 0 0 0 0 >> 555 6.472 46.695 5.955 1 T 1.020e+06 0.00e+00 a 0 0 0 0 0 >> 556 1.245 26.855 5.960 1 T 1.772e+06 0.00e+00 a 0 0 0 0 0 >> 557 1.020 14.268 5.975 1 T 1.152e+06 0.00e+00 a 0 0 0 0 0 >> 558 2.599 36.211 5.948 1 T 9.392e+05 0.00e+00 a 0 0 0 0 0 >> 559 1.276 26.822 5.931 1 T 1.778e+06 0.00e+00 a 0 0 0 0 0 >> 560 2.314 34.699 5.910 1 T 1.241e+06 0.00e+00 a 0 0 0 0 0 >> 561 4.815 61.164 5.882 1 T 9.429e+05 0.00e+00 a 0 0 0 0 0 >> 562 2.321 39.582 5.897 1 T 9.994e+05 0.00e+00 a 0 0 0 0 0 >> 563 1.793 16.285 5.900 1 T 1.001e+06 0.00e+00 a 0 0 0 0 0 >> 564 2.304 34.836 5.870 1 T 1.218e+06 0.00e+00 a 0 0 0 0 0 >> 565 4.332 56.970 5.840 1 T 1.390e+06 0.00e+00 a 0 0 0 0 0 >> 566 5.061 48.718 5.842 1 T 1.425e+06 0.00e+00 a 0 0 0 0 0 >> 567 0.595 46.319 5.838 1 T 9.225e+05 0.00e+00 a 0 0 0 0 0 >> 568 2.268 39.823 5.837 1 T 9.810e+05 0.00e+00 a 0 0 0 0 0 >> 569 -0.300 21.477 5.850 1 T 1.067e+06 0.00e+00 a 0 0 0 0 0 >> 570 4.075 57.902 5.775 1 T 1.594e+06 0.00e+00 a 0 0 0 0 0 >> 571 2.070 56.110 5.756 1 T 1.046e+06 0.00e+00 a 0 0 0 0 0 >> 572 1.254 35.520 5.740 1 T 8.932e+05 0.00e+00 a 0 0 0 0 0 >> 573 4.352 62.662 5.710 1 T 1.202e+06 0.00e+00 a 0 0 0 0 0 >> 574 2.041 56.640 5.715 1 T 1.082e+06 0.00e+00 a 0 0 0 0 0 >> 575 3.707 57.603 5.673 1 T 1.121e+06 0.00e+00 a 0 0 0 0 0 >> 576 8.159 57.029 5.675 1 T 9.006e+05 0.00e+00 a 0 0 0 0 0 >> 577 1.970 39.194 5.663 1 T 1.009e+06 0.00e+00 a 0 0 0 0 0 >> 578 0.523 28.651 5.653 1 T 1.023e+06 0.00e+00 a 0 0 0 0 0 >> 579 3.520 67.535 5.609 1 T 1.093e+06 0.00e+00 a 0 0 0 0 0 >> 580 1.996 39.000 5.598 1 T 1.064e+06 0.00e+00 a 0 0 0 0 0 >> 581 2.578 34.829 5.603 1 T 1.065e+06 0.00e+00 a 0 0 0 0 0 >> 582 -0.223 19.797 5.588 1 T 1.117e+06 0.00e+00 a 0 0 0 0 0 >> 583 3.766 17.584 5.602 1 T 9.283e+05 0.00e+00 a 0 0 0 0 0 >> 584 1.398 31.399 5.581 1 T 1.302e+06 0.00e+00 a 0 0 0 0 0 >> 585 2.531 39.171 5.555 1 T 1.160e+06 0.00e+00 a 0 0 0 0 0 >> 586 1.939 22.105 5.556 1 T 1.025e+06 0.00e+00 a 0 0 0 0 0 >> 587 2.948 44.632 5.464 1 T 9.383e+05 0.00e+00 a 0 0 0 0 0 >> 588 4.158 59.738 5.452 1 T 1.055e+06 0.00e+00 a 0 0 0 0 0 >> 589 1.433 53.254 5.452 1 T 1.009e+06 0.00e+00 a 0 0 0 0 0 >> 590 2.660 45.694 5.437 1 T 9.757e+05 0.00e+00 a 0 0 0 0 0 >> 591 3.209 43.710 5.446 1 T 9.026e+05 0.00e+00 a 0 0 0 0 0 >> 592 0.365 27.016 5.442 1 T 1.376e+06 0.00e+00 a 0 0 0 0 0 >> 593 5.959 55.077 5.428 1 T 9.207e+05 0.00e+00 a 0 0 0 0 0 >> 594 1.206 52.736 5.364 1 T 9.161e+05 0.00e+00 a 0 0 0 0 0 >> 595 0.490 12.046 5.373 1 T 9.425e+05 0.00e+00 a 0 0 0 0 0 >> 596 7.029 46.457 5.358 1 T 9.089e+05 0.00e+00 a 0 0 0 0 0 >> 597 1.672 54.945 5.314 1 T 8.999e+05 0.00e+00 a 0 0 0 0 0 >> 598 1.206 52.683 5.314 1 T 9.711e+05 0.00e+00 a 0 0 0 0 0 >> 599 4.515 70.195 5.299 1 T 9.317e+05 0.00e+00 a 0 0 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56.543 0.481 1 T 1.418e+06 0.00e+00 a 0 0 0 0 0 >>1205 7.675 56.298 0.477 1 T 1.129e+06 0.00e+00 a 0 0 0 0 0 >>1206 1.716 56.490 0.468 1 T 1.380e+06 0.00e+00 a 0 0 0 0 0 >>1207 6.589 53.809 0.470 1 T 1.262e+06 0.00e+00 a 0 0 0 0 0 >>1208 7.009 42.274 0.478 1 T 1.151e+06 0.00e+00 a 0 0 0 0 0 >>1209 6.183 35.480 0.480 1 T 9.645e+05 0.00e+00 a 0 0 0 0 0 >>1210 2.518 58.616 0.427 1 T 1.089e+06 0.00e+00 a 0 0 0 0 0 >>1211 6.389 39.387 0.432 1 T 1.063e+06 0.00e+00 a 0 0 0 0 0 >>1212 3.064 35.504 0.410 1 T 1.056e+06 0.00e+00 a 0 0 0 0 0 >>1213 0.064 30.292 0.424 1 T 1.230e+06 0.00e+00 a 0 0 0 0 0 >>1214 0.780 7.689 0.414 1 T 1.035e+06 0.00e+00 a 0 0 0 0 0 >>1215 1.708 63.017 0.398 1 T 9.777e+05 0.00e+00 a 0 0 0 0 0 >>1216 2.076 20.121 0.404 1 T 9.337e+05 0.00e+00 a 0 0 0 0 0 >>1217 3.381 43.405 0.359 1 T 1.377e+06 0.00e+00 a 0 0 0 0 0 >>1218 4.726 31.107 0.377 1 T 1.012e+06 0.00e+00 a 0 0 0 0 0 >>1219 -0.298 31.300 0.364 1 T 1.599e+06 0.00e+00 a 0 0 0 0 0 >>1220 2.507 58.723 0.355 1 T 1.043e+06 0.00e+00 a 0 0 0 0 0 >>1221 5.852 52.636 0.357 1 T 9.711e+05 0.00e+00 a 0 0 0 0 0 >>1222 2.959 48.522 0.341 1 T 1.012e+06 0.00e+00 a 0 0 0 0 0 >>1223 -0.804 25.079 0.336 1 T 9.264e+05 0.00e+00 a 0 0 0 0 0 >>1224 1.380 63.077 0.330 1 T 1.088e+06 0.00e+00 a 0 0 0 0 0 >>1225 6.404 53.516 0.331 1 T 1.270e+06 0.00e+00 a 0 0 0 0 0 >>1226 2.109 49.156 0.316 1 T 9.382e+05 0.00e+00 a 0 0 0 0 0 >>1227 4.512 40.624 0.332 1 T 1.151e+06 0.00e+00 a 0 0 0 0 0 >>1228 0.939 38.194 0.329 1 T 1.404e+06 0.00e+00 a 0 0 0 0 0 >>1229 0.909 57.336 0.183 1 T 1.015e+06 0.00e+00 a 0 0 0 0 0 >>1230 9.123 7.883 0.173 1 T 9.155e+05 0.00e+00 a 0 0 0 0 0 >>1231 4.014 42.109 0.147 1 T 1.026e+06 0.00e+00 a 0 0 0 0 0 >>1232 6.248 49.391 0.119 1 T 9.895e+05 0.00e+00 a 0 0 0 0 0 >>1233 1.301 46.149 0.007 1 T 9.976e+05 0.00e+00 a 0 0 0 0 0 >>1234 0.934 59.129 -0.055 1 T 1.035e+06 0.00e+00 a 0 0 0 0 0 >>1235 0.500 39.753 -0.059 1 T 8.988e+05 0.00e+00 a 0 0 0 0 0 >>1236 3.196 52.151 -0.071 1 T 9.162e+05 0.00e+00 a 0 0 0 0 0 >>1237 0.860 33.337 -0.101 1 T 9.832e+05 0.00e+00 a 0 0 0 0 0 >>1238 1.566 18.254 -0.100 1 T 9.604e+05 0.00e+00 a 0 0 0 0 0 >>1239 4.882 39.691 -0.141 1 T 8.288e+05 0.00e+00 a 0 0 0 0 0 >>1240 0.773 45.613 -0.184 1 T 1.202e+06 0.00e+00 a 0 0 0 0 0 >>1241 1.647 17.995 -0.161 1 T 8.888e+05 0.00e+00 a 0 0 0 0 0 >>1242 1.397 31.174 -0.199 1 T 2.329e+06 0.00e+00 a 0 0 0 0 0 >>1243 1.889 34.994 -0.232 1 T 1.508e+06 0.00e+00 a 0 0 0 0 0 >>1244 5.538 51.537 -0.255 1 T 8.689e+05 0.00e+00 a 0 0 0 0 0 >>1245 3.815 52.129 -0.281 1 T 9.519e+05 0.00e+00 a 0 0 0 0 0 >>1246 6.976 39.867 -0.268 1 T 9.181e+05 0.00e+00 a 0 0 0 0 0 >>1247 1.379 36.461 -0.262 1 T 9.516e+05 0.00e+00 a 0 0 0 0 0 >>1248 5.285 55.013 -0.293 1 T 1.188e+06 0.00e+00 a 0 0 0 0 0 >>1249 6.596 51.576 -0.300 1 T 1.178e+06 0.00e+00 a 0 0 0 0 0 >>1250 4.777 54.694 -0.494 1 T 1.040e+06 0.00e+00 a 0 0 0 0 0 >>1251 1.927 32.092 -0.541 1 T 1.293e+06 0.00e+00 a 0 0 0 0 0 >>1252 5.522 55.959 -0.562 1 T 9.130e+05 0.00e+00 a 0 0 0 0 0 >>1253 7.215 52.807 -0.578 1 T 9.833e+05 0.00e+00 a 0 0 0 0 0 >>1254 1.947 38.055 -0.612 1 T 1.146e+06 0.00e+00 a 0 0 0 0 0 >>1255 3.176 66.151 -0.641 1 T 9.164e+05 0.00e+00 a 0 0 0 0 0 >>1256 1.132 19.880 -0.661 1 T 1.358e+06 0.00e+00 a 0 0 0 0 0 >>1257 3.940 63.105 -0.695 1 T 9.142e+05 0.00e+00 a 0 0 0 0 0 >>1258 4.513 60.625 -0.695 1 T 1.190e+06 0.00e+00 a 0 0 0 0 0 >>1259 0.512 16.276 -0.680 1 T 9.115e+05 0.00e+00 a 0 0 0 0 0 >>1260 3.973 63.038 -0.710 1 T 9.572e+05 0.00e+00 a 0 0 0 0 0 >>1261 4.520 60.586 -0.728 1 T 1.126e+06 0.00e+00 a 0 0 0 0 0 >>1262 5.101 51.981 -0.727 1 T 1.290e+06 0.00e+00 a 0 0 0 0 0 >>1263 2.475 35.272 -0.735 1 T 1.011e+06 0.00e+00 a 0 0 0 0 0 >>1264 1.197 22.220 -0.730 1 T 1.513e+06 0.00e+00 a 0 0 0 0 0 >>1265 3.296 60.209 -0.753 1 T 1.251e+06 0.00e+00 a 0 0 0 0 0 >>1266 0.407 26.721 -0.768 1 T 1.655e+06 0.00e+00 a 0 0 0 0 0 >>1267 0.898 18.325 -0.757 1 T 1.569e+06 0.00e+00 a 0 0 0 0 0 >>1268 0.283 18.273 -0.775 1 T 9.947e+05 0.00e+00 a 0 0 0 0 0 >>1269 6.473 45.705 -0.786 1 T 1.067e+06 0.00e+00 a 0 0 0 0 0 >>1270 5.239 7.814 -0.792 1 T 1.102e+06 0.00e+00 a 0 0 0 0 0 >>1271 4.086 55.060 -0.845 1 T 9.667e+05 0.00e+00 a 0 0 0 0 0 >>1272 2.888 40.819 -0.871 1 T 2.155e+06 0.00e+00 a 0 0 0 0 0 >>1273 1.052 18.516 -0.865 1 T 1.684e+06 0.00e+00 a 0 0 0 0 0 >>1274 5.926 15.554 -0.852 1 T 1.038e+06 0.00e+00 a 0 0 0 0 0 >>1275 4.139 54.742 -0.876 1 T 9.687e+05 0.00e+00 a 0 0 0 0 0 >>1276 1.313 19.771 -0.892 1 T 1.352e+06 0.00e+00 a 0 0 0 0 0 >>1277 8.395 6.900 -0.935 1 T 9.154e+05 0.00e+00 a 0 0 0 0 0 >>1278 4.756 48.640 -0.950 1 T 9.264e+05 0.00e+00 a 0 0 0 0 0 >>1279 1.304 42.851 -0.968 1 T 8.786e+05 0.00e+00 a 0 0 0 0 0 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H-aliphatic . aliased 15 ppm . . . 4.76 . . 34347 1 >> >> stop_ >> >>save_ >> ; save_