data_16767 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human Regenerating Gene Type IV (REG IV) PROTEIN, P91S mutant ; _BMRB_accession_number 16767 _BMRB_flat_file_name bmr16767.str _Entry_type original _Submission_date 2010-03-04 _Accession_date 2010-03-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ho Meng-Ru . . 2 Lou Yuan-Chao . . 3 Chen Chinpan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 729 "13C chemical shifts" 523 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-29 update BMRB 'Update entry citation' 2010-08-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Human RegIV Protein Adopts a Typical C-Type Lectin Fold but Binds Mannan with Two Calcium-Independent Sites.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20692269 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ho Meng-Ru . . 2 Lou Yuan-Chao . . 3 Wei Shu-Yi . . 4 Luo Shih-Chi . . 5 Lin Wen-Chang . . 6 Lyu Ping-Chiang . . 7 Chen Chinpan . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 402 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 682 _Page_last 695 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Reg IV' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label P91S $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common P91S _Molecular_mass 16301 _Mol_thiol_state 'all disulfide bound' _Details 'P91S mutant' ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; QSCAPGWFYHKSNCYGYFRK LRNWSDAELECQSYGNGAHL ASILSLKEASTIAEYISGYQ RSQSIWIGLHDPQKRQQWQW IDGAMYLYRSWSGKSMGGNK HCAEMSSNNNFLTWSSNECN KRQHFLCKYR ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 SER 3 CYS 4 ALA 5 PRO 6 GLY 7 TRP 8 PHE 9 TYR 10 HIS 11 LYS 12 SER 13 ASN 14 CYS 15 TYR 16 GLY 17 TYR 18 PHE 19 ARG 20 LYS 21 LEU 22 ARG 23 ASN 24 TRP 25 SER 26 ASP 27 ALA 28 GLU 29 LEU 30 GLU 31 CYS 32 GLN 33 SER 34 TYR 35 GLY 36 ASN 37 GLY 38 ALA 39 HIS 40 LEU 41 ALA 42 SER 43 ILE 44 LEU 45 SER 46 LEU 47 LYS 48 GLU 49 ALA 50 SER 51 THR 52 ILE 53 ALA 54 GLU 55 TYR 56 ILE 57 SER 58 GLY 59 TYR 60 GLN 61 ARG 62 SER 63 GLN 64 SER 65 ILE 66 TRP 67 ILE 68 GLY 69 LEU 70 HIS 71 ASP 72 PRO 73 GLN 74 LYS 75 ARG 76 GLN 77 GLN 78 TRP 79 GLN 80 TRP 81 ILE 82 ASP 83 GLY 84 ALA 85 MET 86 TYR 87 LEU 88 TYR 89 ARG 90 SER 91 TRP 92 SER 93 GLY 94 LYS 95 SER 96 MET 97 GLY 98 GLY 99 ASN 100 LYS 101 HIS 102 CYS 103 ALA 104 GLU 105 MET 106 SER 107 SER 108 ASN 109 ASN 110 ASN 111 PHE 112 LEU 113 THR 114 TRP 115 SER 116 SER 117 ASN 118 GLU 119 CYS 120 ASN 121 LYS 122 ARG 123 GLN 124 HIS 125 PHE 126 LEU 127 CYS 128 LYS 129 TYR 130 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KV3 "Human Regenerating Gene Type Iv (Reg Iv) Protein, P91s Mutant" 100.00 131 100.00 100.00 2.85e-90 GB AAG02562 "regenerating gene type IV [Homo sapiens]" 99.23 158 99.22 99.22 1.54e-89 GB AAH17089 "Regenerating islet-derived family, member 4 [Homo sapiens]" 99.23 158 99.22 99.22 1.54e-89 GB AAK48435 "gastrointestinal secretory protein GISP [Homo sapiens]" 99.23 158 99.22 99.22 1.54e-89 GB AAK59869 "regenerating gene type IV [Homo sapiens]" 99.23 158 99.22 99.22 1.54e-89 GB AAM95598 "REG-like protein [Homo sapiens]" 99.23 158 99.22 99.22 1.54e-89 REF NP_001152824 "regenerating islet-derived protein 4 isoform 1 precursor [Homo sapiens]" 99.23 158 99.22 99.22 1.54e-89 REF NP_114433 "regenerating islet-derived protein 4 isoform 1 precursor [Homo sapiens]" 99.23 158 99.22 99.22 1.54e-89 REF XP_001139975 "PREDICTED: regenerating islet-derived protein 4 [Pan troglodytes]" 99.23 158 98.45 99.22 5.18e-89 REF XP_003268113 "PREDICTED: regenerating islet-derived protein 4 isoform X2 [Nomascus leucogenys]" 99.23 158 96.90 97.67 3.95e-88 REF XP_003268114 "PREDICTED: regenerating islet-derived protein 4 isoform X2 [Nomascus leucogenys]" 99.23 158 96.90 97.67 3.95e-88 SP Q9BYZ8 "RecName: Full=Regenerating islet-derived protein 4; Short=REG-4; AltName: Full=Gastrointestinal secretory protein; AltName: Ful" 99.23 158 99.22 99.22 1.54e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens 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 'recombinant technology' . Escherichia coli . pQE1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-99% 15N]' $entity 1 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 4.5 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 $entry_citation $entry_citation 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_assignments_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name P91S _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLN HA H 4.205 . 1 2 1 1 GLN HB2 H 1.878 . 2 3 1 1 GLN HB3 H 1.792 . 2 4 1 1 GLN C C 174.687 . 1 5 1 1 GLN CA C 54.603 . 1 6 1 1 GLN CB C 28.355 . 1 7 1 1 GLN CG C 32.961 . 1 8 2 2 SER H H 7.940 . 1 9 2 2 SER HA H 4.236 . 1 10 2 2 SER HB2 H 3.629 . 2 11 2 2 SER HB3 H 3.625 . 2 12 2 2 SER C C 173.751 . 1 13 2 2 SER CA C 57.381 . 1 14 2 2 SER CB C 63.630 . 1 15 2 2 SER N N 115.293 . 1 16 3 3 CYS H H 8.432 . 1 17 3 3 CYS HA H 4.791 . 1 18 3 3 CYS HB2 H 2.745 . 2 19 3 3 CYS HB3 H 2.948 . 2 20 3 3 CYS C C 173.589 . 1 21 3 3 CYS CA C 57.278 . 1 22 3 3 CYS CB C 41.566 . 1 23 3 3 CYS N N 117.458 . 1 24 4 4 ALA H H 7.137 . 1 25 4 4 ALA HA H 4.351 . 1 26 4 4 ALA HB H 0.888 . 1 27 4 4 ALA CA C 50.477 . 1 28 4 4 ALA CB C 15.381 . 1 29 4 4 ALA N N 124.507 . 1 30 5 5 PRO HA H 4.401 . 1 31 5 5 PRO HB2 H 2.354 . 2 32 5 5 PRO HB3 H 1.964 . 2 33 5 5 PRO HD2 H 4.741 . 2 34 5 5 PRO HD3 H 4.797 . 2 35 5 5 PRO HG2 H 2.041 . 2 36 5 5 PRO HG3 H 2.158 . 2 37 5 5 PRO C C 178.269 . 1 38 5 5 PRO CA C 63.814 . 1 39 5 5 PRO CB C 30.671 . 1 40 5 5 PRO CD C 49.587 . 1 41 5 5 PRO CG C 27.315 . 1 42 6 6 GLY H H 8.942 . 1 43 6 6 GLY HA2 H 3.705 . 2 44 6 6 GLY HA3 H 4.402 . 2 45 6 6 GLY C C 174.831 . 1 46 6 6 GLY CA C 44.587 . 1 47 6 6 GLY N N 112.670 . 1 48 7 7 TRP H H 8.459 . 1 49 7 7 TRP HA H 4.814 . 1 50 7 7 TRP HB2 H 3.393 . 2 51 7 7 TRP HB3 H 2.924 . 2 52 7 7 TRP HD1 H 7.197 . 1 53 7 7 TRP HE1 H 9.789 . 3 54 7 7 TRP CA C 56.672 . 1 55 7 7 TRP CB C 27.741 . 1 56 7 7 TRP CD1 C 124.558 . 3 57 7 7 TRP N N 122.685 . 1 58 7 7 TRP NE1 N 130.316 . 1 59 8 8 PHE H H 9.765 . 1 60 8 8 PHE HA H 4.915 . 1 61 8 8 PHE HB2 H 2.714 . 2 62 8 8 PHE HB3 H 2.433 . 2 63 8 8 PHE HD1 H 6.641 . 3 64 8 8 PHE HD2 H 6.641 . 3 65 8 8 PHE HE1 H 6.728 . 3 66 8 8 PHE HE2 H 6.728 . 3 67 8 8 PHE C C 173.517 . 1 68 8 8 PHE CA C 55.116 . 1 69 8 8 PHE CB C 41.108 . 1 70 8 8 PHE CD1 C 131.761 . 3 71 8 8 PHE CD2 C 131.761 . 3 72 8 8 PHE CE1 C 130.237 . 3 73 8 8 PHE CE2 C 130.237 . 3 74 8 8 PHE N N 124.340 . 1 75 9 9 TYR H H 8.406 . 1 76 9 9 TYR HA H 5.087 . 1 77 9 9 TYR HB2 H 3.065 . 2 78 9 9 TYR HB3 H 2.714 . 2 79 9 9 TYR HD1 H 6.876 . 3 80 9 9 TYR HD2 H 6.876 . 3 81 9 9 TYR HE1 H 6.536 . 3 82 9 9 TYR HE2 H 6.536 . 3 83 9 9 TYR C C 175.173 . 1 84 9 9 TYR CA C 56.306 . 1 85 9 9 TYR CB C 39.185 . 1 86 9 9 TYR CD1 C 131.761 . 3 87 9 9 TYR CD2 C 131.761 . 3 88 9 9 TYR CE1 C 117.433 . 3 89 9 9 TYR CE2 C 117.433 . 3 90 9 9 TYR N N 127.880 . 1 91 10 10 HIS H H 8.451 . 1 92 10 10 HIS HA H 3.971 . 1 93 10 10 HIS HB2 H 2.737 . 2 94 10 10 HIS HB3 H 2.698 . 2 95 10 10 HIS HD2 H 6.892 . 3 96 10 10 HIS C C 173.373 . 1 97 10 10 HIS CA C 56.581 . 1 98 10 10 HIS CB C 30.488 . 1 99 10 10 HIS N N 123.978 . 1 100 11 11 LYS H H 8.854 . 1 101 11 11 LYS HA H 3.971 . 1 102 11 11 LYS HB2 H 1.644 . 2 103 11 11 LYS HB3 H 0.894 . 2 104 11 11 LYS HD2 H 1.454 . 2 105 11 11 LYS HD3 H 1.454 . 2 106 11 11 LYS HE2 H 2.836 . 2 107 11 11 LYS HE3 H 2.836 . 2 108 11 11 LYS HG2 H 0.822 . 2 109 11 11 LYS HG3 H 0.783 . 2 110 11 11 LYS C C 174.687 . 1 111 11 11 LYS CA C 56.581 . 1 112 11 11 LYS CB C 30.488 . 1 113 11 11 LYS CD C 27.785 . 1 114 11 11 LYS CE C 41.274 . 1 115 11 11 LYS CG C 24.021 . 1 116 11 11 LYS N N 129.219 . 1 117 12 12 SER H H 6.898 . 1 118 12 12 SER HA H 4.096 . 1 119 12 12 SER HB2 H 3.955 . 2 120 12 12 SER HB3 H 3.955 . 2 121 12 12 SER C C 171.393 . 1 122 12 12 SER CA C 59.602 . 1 123 12 12 SER CB C 61.067 . 1 124 12 12 SER N N 105.906 . 1 125 13 13 ASN H H 7.440 . 1 126 13 13 ASN HA H 4.994 . 1 127 13 13 ASN HB2 H 2.495 . 2 128 13 13 ASN HB3 H 1.581 . 2 129 13 13 ASN HD21 H 7.113 . 2 130 13 13 ASN HD22 H 6.570 . 2 131 13 13 ASN C C 171.645 . 1 132 13 13 ASN CA C 51.728 . 1 133 13 13 ASN CB C 43.672 . 1 134 13 13 ASN N N 116.308 . 1 135 13 13 ASN ND2 N 113.187 . 1 136 14 14 CYS H H 8.657 . 1 137 14 14 CYS HA H 5.306 . 1 138 14 14 CYS HB2 H 2.284 . 2 139 14 14 CYS HB3 H 1.265 . 2 140 14 14 CYS C C 173.517 . 1 141 14 14 CYS CA C 52.827 . 1 142 14 14 CYS CB C 42.665 . 1 143 14 14 CYS N N 116.051 . 1 144 15 15 TYR H H 9.742 . 1 145 15 15 TYR HA H 5.478 . 1 146 15 15 TYR HB2 H 2.667 . 2 147 15 15 TYR HB3 H 2.503 . 2 148 15 15 TYR HD1 H 6.938 . 3 149 15 15 TYR HD2 H 6.938 . 3 150 15 15 TYR HE1 H 6.789 . 3 151 15 15 TYR HE2 H 6.789 . 3 152 15 15 TYR C C 174.651 . 1 153 15 15 TYR CA C 56.216 . 1 154 15 15 TYR CB C 40.467 . 1 155 15 15 TYR CD1 C 133.085 . 3 156 15 15 TYR CD2 C 133.085 . 3 157 15 15 TYR CE1 C 117.838 . 3 158 15 15 TYR CE2 C 117.838 . 3 159 15 15 TYR N N 120.372 . 1 160 16 16 GLY H H 8.530 . 1 161 16 16 GLY HA2 H 0.926 . 2 162 16 16 GLY HA3 H 3.658 . 2 163 16 16 GLY C C 170.547 . 1 164 16 16 GLY CA C 43.489 . 1 165 16 16 GLY N N 112.846 . 1 166 17 17 TYR H H 8.336 . 1 167 17 17 TYR HA H 4.798 . 1 168 17 17 TYR HB2 H 2.448 . 2 169 17 17 TYR HB3 H 2.448 . 2 170 17 17 TYR HD1 H 6.931 . 3 171 17 17 TYR HD2 H 6.931 . 3 172 17 17 TYR HE1 H 7.145 . 3 173 17 17 TYR HE2 H 7.145 . 3 174 17 17 TYR C C 172.707 . 1 175 17 17 TYR CA C 53.651 . 1 176 17 17 TYR CB C 37.171 . 1 177 17 17 TYR CD1 C 133.101 . 3 178 17 17 TYR CD2 C 133.101 . 3 179 17 17 TYR CE1 C 117.901 . 3 180 17 17 TYR CE2 C 117.901 . 3 181 17 17 TYR N N 127.734 . 1 182 18 18 PHE H H 8.293 . 1 183 18 18 PHE HA H 3.736 . 1 184 18 18 PHE HB2 H 1.714 . 2 185 18 18 PHE HB3 H 0.879 . 2 186 18 18 PHE HD1 H 6.679 . 3 187 18 18 PHE HD2 H 6.679 . 3 188 18 18 PHE C C 173.733 . 1 189 18 18 PHE CA C 58.672 . 1 190 18 18 PHE CB C 39.185 . 1 191 18 18 PHE CD1 C 132.432 . 3 192 18 18 PHE CD2 C 132.432 . 3 193 18 18 PHE N N 128.521 . 1 194 19 19 ARG H H 7.885 . 1 195 19 19 ARG HA H 2.472 . 1 196 19 19 ARG HB2 H 1.144 . 2 197 19 19 ARG HB3 H 1.097 . 2 198 19 19 ARG HD2 H 2.479 . 2 199 19 19 ARG HD3 H 2.479 . 2 200 19 19 ARG HG2 H 0.059 . 2 201 19 19 ARG HG3 H 0.671 . 2 202 19 19 ARG C C 175.227 . 1 203 19 19 ARG CA C 52.644 . 1 204 19 19 ARG CB C 26.734 . 1 205 19 19 ARG CD C 42.294 . 1 206 19 19 ARG CG C 25.354 . 1 207 19 19 ARG N N 126.331 . 1 208 20 20 LYS H H 6.920 . 1 209 20 20 LYS HA H 4.408 . 1 210 20 20 LYS HB2 H 1.683 . 2 211 20 20 LYS HB3 H 1.597 . 2 212 20 20 LYS HD2 H 1.684 . 2 213 20 20 LYS HD3 H 1.684 . 2 214 20 20 LYS HE2 H 2.931 . 2 215 20 20 LYS HE3 H 2.931 . 2 216 20 20 LYS HG2 H 1.281 . 2 217 20 20 LYS HG3 H 1.281 . 2 218 20 20 LYS C C 173.697 . 1 219 20 20 LYS CA C 53.561 . 1 220 20 20 LYS CB C 34.791 . 1 221 20 20 LYS CD C 29.275 . 1 222 20 20 LYS CE C 41.196 . 1 223 20 20 LYS CG C 24.021 . 1 224 20 20 LYS N N 119.555 . 1 225 21 21 LEU H H 8.401 . 1 226 21 21 LEU HA H 4.291 . 1 227 21 21 LEU HB2 H 1.886 . 2 228 21 21 LEU HB3 H 1.011 . 2 229 21 21 LEU HD1 H 0.914 . 2 230 21 21 LEU HD2 H 0.914 . 2 231 21 21 LEU HG H 1.648 . 1 232 21 21 LEU C C 177.262 . 1 233 21 21 LEU CA C 53.674 . 1 234 21 21 LEU CB C 40.833 . 1 235 21 21 LEU CD1 C 22.609 . 1 236 21 21 LEU CD2 C 22.609 . 1 237 21 21 LEU CG C 25.197 . 1 238 21 21 LEU N N 120.244 . 1 239 22 22 ARG H H 9.231 . 1 240 22 22 ARG HA H 4.994 . 1 241 22 22 ARG HB2 H 1.777 . 2 242 22 22 ARG HB3 H 1.636 . 2 243 22 22 ARG HD2 H 3.172 . 2 244 22 22 ARG HD3 H 3.172 . 2 245 22 22 ARG HG2 H 1.439 . 2 246 22 22 ARG HG3 H 1.336 . 2 247 22 22 ARG C C 176.595 . 1 248 22 22 ARG CA C 52.369 . 1 249 22 22 ARG CB C 34.882 . 1 250 22 22 ARG CD C 42.451 . 1 251 22 22 ARG CG C 27.785 . 1 252 22 22 ARG N N 126.138 . 1 253 23 23 ASN H H 9.515 . 1 254 23 23 ASN HA H 5.649 . 1 255 23 23 ASN HB2 H 3.799 . 2 256 23 23 ASN HB3 H 2.636 . 2 257 23 23 ASN HD21 H 7.490 . 2 258 23 23 ASN HD22 H 6.683 . 2 259 23 23 ASN C C 173.625 . 1 260 23 23 ASN CA C 51.454 . 1 261 23 23 ASN CB C 36.073 . 1 262 23 23 ASN N N 122.590 . 1 263 23 23 ASN ND2 N 110.449 . 1 264 24 24 TRP H H 7.673 . 1 265 24 24 TRP HA H 2.839 . 1 266 24 24 TRP HB2 H 2.941 . 2 267 24 24 TRP HB3 H 1.597 . 2 268 24 24 TRP HD1 H 6.549 . 1 269 24 24 TRP HE1 H 9.747 . 3 270 24 24 TRP C C 177.046 . 1 271 24 24 TRP CA C 63.271 . 1 272 24 24 TRP CB C 31.024 . 1 273 24 24 TRP CD1 C 126.835 . 3 274 24 24 TRP N N 118.328 . 1 275 24 24 TRP NE1 N 126.203 . 1 276 25 25 SER H H 8.450 . 1 277 25 25 SER HA H 3.846 . 1 278 25 25 SER HB2 H 3.916 . 2 279 25 25 SER HB3 H 3.916 . 2 280 25 25 SER C C 177.334 . 1 281 25 25 SER CA C 61.727 . 1 282 25 25 SER CB C 64.089 . 1 283 25 25 SER N N 110.848 . 1 284 26 26 ASP H H 8.925 . 1 285 26 26 ASP HA H 4.306 . 1 286 26 26 ASP HB2 H 2.534 . 2 287 26 26 ASP HB3 H 2.371 . 2 288 26 26 ASP C C 178.612 . 1 289 26 26 ASP CA C 56.095 . 1 290 26 26 ASP CB C 38.745 . 1 291 26 26 ASP N N 122.435 . 1 292 27 27 ALA H H 8.550 . 1 293 27 27 ALA HA H 2.628 . 1 294 27 27 ALA HB H 0.738 . 1 295 27 27 ALA C C 176.992 . 1 296 27 27 ALA CA C 54.097 . 1 297 27 27 ALA CB C 17.398 . 1 298 27 27 ALA N N 126.225 . 1 299 28 28 GLU H H 7.532 . 1 300 28 28 GLU HA H 3.986 . 1 301 28 28 GLU HB2 H 1.472 . 2 302 28 28 GLU HB3 H 1.285 . 2 303 28 28 GLU HG2 H 2.186 . 2 304 28 28 GLU HG3 H 2.186 . 2 305 28 28 GLU C C 178.414 . 1 306 28 28 GLU CA C 57.912 . 1 307 28 28 GLU CB C 25.574 . 1 308 28 28 GLU CG C 33.041 . 1 309 28 28 GLU N N 118.414 . 1 310 29 29 LEU H H 7.638 . 1 311 29 29 LEU HA H 3.838 . 1 312 29 29 LEU HB2 H 1.761 . 2 313 29 29 LEU HB3 H 1.449 . 2 314 29 29 LEU HD1 H 0.771 . 2 315 29 29 LEU HD2 H 0.350 . 2 316 29 29 LEU HG H 1.657 . 1 317 29 29 LEU C C 180.088 . 1 318 29 29 LEU CA C 57.185 . 1 319 29 29 LEU CB C 40.653 . 1 320 29 29 LEU CD1 C 22.296 . 1 321 29 29 LEU CD2 C 24.256 . 1 322 29 29 LEU CG C 26.061 . 1 323 29 29 LEU N N 118.468 . 1 324 30 30 GLU H H 8.090 . 1 325 30 30 GLU HA H 3.822 . 1 326 30 30 GLU HB2 H 1.948 . 2 327 30 30 GLU HB3 H 1.886 . 2 328 30 30 GLU HG2 H 2.048 . 2 329 30 30 GLU HG3 H 2.048 . 2 330 30 30 GLU C C 180.519 . 1 331 30 30 GLU CA C 59.274 . 1 332 30 30 GLU CB C 26.754 . 1 333 30 30 GLU CG C 35.157 . 1 334 30 30 GLU N N 121.811 . 1 335 31 31 CYS H H 8.873 . 1 336 31 31 CYS HA H 4.572 . 1 337 31 31 CYS HB2 H 2.932 . 2 338 31 31 CYS HB3 H 2.573 . 2 339 31 31 CYS C C 176.127 . 1 340 31 31 CYS CA C 55.913 . 1 341 31 31 CYS CB C 33.295 . 1 342 31 31 CYS N N 118.289 . 1 343 32 32 GLN H H 8.219 . 1 344 32 32 GLN HA H 3.986 . 1 345 32 32 GLN HB2 H 2.058 . 2 346 32 32 GLN HB3 H 2.003 . 2 347 32 32 GLN HE21 H 8.296 . 2 348 32 32 GLN HE22 H 6.714 . 2 349 32 32 GLN HG2 H 2.609 . 2 350 32 32 GLN HG3 H 2.283 . 2 351 32 32 GLN C C 179.171 . 1 352 32 32 GLN CA C 57.912 . 1 353 32 32 GLN CB C 28.391 . 1 354 32 32 GLN CG C 33.432 . 1 355 32 32 GLN N N 116.359 . 1 356 32 32 GLN NE2 N 112.649 . 1 357 33 33 SER H H 7.870 . 1 358 33 33 SER HA H 4.103 . 1 359 33 33 SER HB2 H 3.791 . 2 360 33 33 SER HB3 H 3.791 . 2 361 33 33 SER C C 174.759 . 1 362 33 33 SER CA C 60.183 . 1 363 33 33 SER CB C 62.181 . 1 364 33 33 SER N N 116.665 . 1 365 34 34 TYR H H 7.558 . 1 366 34 34 TYR HA H 4.244 . 1 367 34 34 TYR HB2 H 3.003 . 2 368 34 34 TYR HB3 H 2.871 . 2 369 34 34 TYR HD1 H 6.478 . 3 370 34 34 TYR HD2 H 6.478 . 3 371 34 34 TYR HE1 H 6.387 . 3 372 34 34 TYR HE2 H 6.387 . 3 373 34 34 TYR C C 176.073 . 1 374 34 34 TYR CA C 58.911 . 1 375 34 34 TYR CB C 37.019 . 1 376 34 34 TYR CD1 C 132.391 . 3 377 34 34 TYR CD2 C 132.391 . 3 378 34 34 TYR CE1 C 117.601 . 3 379 34 34 TYR CE2 C 117.601 . 3 380 34 34 TYR N N 120.500 . 1 381 35 35 GLY H H 7.682 . 1 382 35 35 GLY HA2 H 3.761 . 2 383 35 35 GLY HA3 H 3.651 . 2 384 35 35 GLY C C 172.977 . 1 385 35 35 GLY CA C 44.195 . 1 386 35 35 GLY N N 106.763 . 1 387 36 36 ASN H H 8.242 . 1 388 36 36 ASN HA H 4.213 . 1 389 36 36 ASN HB2 H 2.401 . 2 390 36 36 ASN HB3 H 2.081 . 2 391 36 36 ASN HD21 H 6.504 . 2 392 36 36 ASN HD22 H 6.705 . 2 393 36 36 ASN C C 175.047 . 1 394 36 36 ASN CA C 53.552 . 1 395 36 36 ASN CB C 37.111 . 1 396 36 36 ASN N N 114.352 . 1 397 36 36 ASN ND2 N 112.396 . 1 398 37 37 GLY H H 8.478 . 1 399 37 37 GLY HA2 H 3.961 . 2 400 37 37 GLY HA3 H 3.791 . 2 401 37 37 GLY C C 174.147 . 1 402 37 37 GLY CA C 45.195 . 1 403 37 37 GLY N N 107.175 . 1 404 38 38 ALA H H 7.408 . 1 405 38 38 ALA HA H 4.869 . 1 406 38 38 ALA HB H 1.378 . 1 407 38 38 ALA C C 175.785 . 1 408 38 38 ALA CA C 51.372 . 1 409 38 38 ALA CB C 19.215 . 1 410 38 38 ALA N N 121.876 . 1 411 39 39 HIS H H 8.139 . 1 412 39 39 HIS HA H 4.978 . 1 413 39 39 HIS HB2 H 3.666 . 2 414 39 39 HIS HB3 H 3.034 . 2 415 39 39 HIS HD2 H 7.323 . 3 416 39 39 HIS C C 175.047 . 1 417 39 39 HIS CA C 53.733 . 1 418 39 39 HIS CB C 35.384 . 1 419 39 39 HIS CD2 C 119.605 . 1 420 39 39 HIS N N 113.675 . 1 421 40 40 LEU H H 9.800 . 1 422 40 40 LEU HA H 4.939 . 1 423 40 40 LEU HB2 H 1.605 . 2 424 40 40 LEU HB3 H 0.957 . 2 425 40 40 LEU HD1 H 0.755 . 2 426 40 40 LEU HD2 H -0.441 . 2 427 40 40 LEU HG H 1.223 . 1 428 40 40 LEU C C 179.962 . 1 429 40 40 LEU CA C 56.186 . 1 430 40 40 LEU CB C 35.384 . 1 431 40 40 LEU CD1 C 24.398 . 1 432 40 40 LEU CD2 C 24.579 . 1 433 40 40 LEU CG C 26.138 . 1 434 40 40 LEU N N 123.645 . 1 435 41 41 ALA H H 9.226 . 1 436 41 41 ALA HA H 4.142 . 1 437 41 41 ALA HB H 1.301 . 1 438 41 41 ALA C C 177.118 . 1 439 41 41 ALA CA C 53.188 . 1 440 41 41 ALA CB C 19.487 . 1 441 41 41 ALA N N 122.875 . 1 442 42 42 SER H H 6.744 . 1 443 42 42 SER HA H 3.617 . 1 444 42 42 SER HB2 H 2.489 . 2 445 42 42 SER HB3 H 2.489 . 2 446 42 42 SER C C 172.743 . 1 447 42 42 SER CA C 54.642 . 1 448 42 42 SER CB C 62.817 . 1 449 42 42 SER N N 113.470 . 1 450 43 43 ILE H H 5.240 . 1 451 43 43 ILE HA H 4.103 . 1 452 43 43 ILE HB H 2.337 . 1 453 43 43 ILE HD1 H 0.817 . 1 454 43 43 ILE HG12 H 1.439 . 1 455 43 43 ILE HG13 H 1.439 . 1 456 43 43 ILE HG2 H 1.136 . 2 457 43 43 ILE C C 175.101 . 1 458 43 43 ILE CA C 59.093 . 1 459 43 43 ILE CB C 37.473 . 1 460 43 43 ILE CD1 C 11.159 . 1 461 43 43 ILE CG1 C 25.746 . 2 462 43 43 ILE CG2 C 17.198 . 1 463 43 43 ILE N N 121.063 . 1 464 44 44 LEU H H 8.561 . 1 465 44 44 LEU HA H 4.103 . 1 466 44 44 LEU HB2 H 2.329 . 2 467 44 44 LEU HB3 H 2.329 . 2 468 44 44 LEU HD1 H 0.539 . 2 469 44 44 LEU HD2 H 0.794 . 2 470 44 44 LEU HG H 1.115 . 1 471 44 44 LEU C C 176.919 . 1 472 44 44 LEU CA C 54.369 . 1 473 44 44 LEU CB C 42.197 . 1 474 44 44 LEU CD1 C 21.747 . 1 475 44 44 LEU CD2 C 24.491 . 1 476 44 44 LEU CG C 26.217 . 1 477 44 44 LEU N N 120.949 . 1 478 45 45 SER H H 7.466 . 1 479 45 45 SER HA H 3.784 . 1 480 45 45 SER HB2 H 4.352 . 2 481 45 45 SER HB3 H 4.352 . 2 482 45 45 SER C C 172.455 . 1 483 45 45 SER CA C 56.004 . 1 484 45 45 SER CB C 65.271 . 1 485 45 45 SER N N 111.624 . 1 486 46 46 LEU H H 8.425 . 1 487 46 46 LEU HA H 4.081 . 1 488 46 46 LEU HB2 H 1.652 . 2 489 46 46 LEU HB3 H 1.652 . 2 490 46 46 LEU HD1 H 0.983 . 2 491 46 46 LEU HD2 H 0.931 . 2 492 46 46 LEU HG H 1.538 . 1 493 46 46 LEU C C 178.936 . 1 494 46 46 LEU CA C 56.640 . 1 495 46 46 LEU CB C 40.462 . 1 496 46 46 LEU CD1 C 22.296 . 1 497 46 46 LEU CD2 C 25.197 . 1 498 46 46 LEU CG C 26.374 . 1 499 46 46 LEU N N 123.128 . 1 500 47 47 LYS H H 8.145 . 1 501 47 47 LYS HA H 4.011 . 1 502 47 47 LYS HB2 H 1.776 . 2 503 47 47 LYS HB3 H 1.776 . 2 504 47 47 LYS HD2 H 1.661 . 2 505 47 47 LYS HD3 H 1.661 . 2 506 47 47 LYS HE2 H 2.954 . 2 507 47 47 LYS HE3 H 2.954 . 2 508 47 47 LYS HG2 H 1.459 . 2 509 47 47 LYS HG3 H 1.459 . 2 510 47 47 LYS C C 179.296 . 1 511 47 47 LYS CA C 58.548 . 1 512 47 47 LYS CB C 30.933 . 1 513 47 47 LYS CD C 28.099 . 1 514 47 47 LYS CE C 41.431 . 1 515 47 47 LYS CG C 24.571 . 1 516 47 47 LYS N N 119.478 . 1 517 48 48 GLU H H 7.815 . 1 518 48 48 GLU HA H 3.807 . 1 519 48 48 GLU HB2 H 2.057 . 2 520 48 48 GLU HB3 H 1.979 . 2 521 48 48 GLU HG2 H 2.038 . 2 522 48 48 GLU HG3 H 2.038 . 2 523 48 48 GLU C C 177.298 . 1 524 48 48 GLU CA C 59.002 . 1 525 48 48 GLU CB C 29.007 . 1 526 48 48 GLU CG C 35.314 . 1 527 48 48 GLU N N 122.762 . 1 528 49 49 ALA H H 8.323 . 1 529 49 49 ALA HA H 3.862 . 1 530 49 49 ALA HB H 1.661 . 1 531 49 49 ALA C C 179.891 . 1 532 49 49 ALA CA C 54.914 . 1 533 49 49 ALA CB C 18.488 . 1 534 49 49 ALA N N 120.845 . 1 535 50 50 SER H H 8.877 . 1 536 50 50 SER HA H 4.056 . 1 537 50 50 SER HB2 H 3.885 . 2 538 50 50 SER HB3 H 3.885 . 2 539 50 50 SER C C 176.811 . 1 540 50 50 SER CA C 60.911 . 1 541 50 50 SER CB C 62.091 . 1 542 50 50 SER N N 112.676 . 1 543 51 51 THR H H 7.743 . 1 544 51 51 THR HA H 3.776 . 1 545 51 51 THR HB H 3.745 . 1 546 51 51 THR HG2 H 1.125 . 1 547 51 51 THR C C 176.469 . 1 548 51 51 THR CA C 66.178 . 1 549 51 51 THR CB C 67.722 . 1 550 51 51 THR CG2 C 19.315 . 1 551 51 51 THR N N 119.889 . 1 552 52 52 ILE H H 8.130 . 1 553 52 52 ILE HA H 3.473 . 1 554 52 52 ILE HB H 1.831 . 1 555 52 52 ILE HD1 H 0.096 . 1 556 52 52 ILE HG12 H 0.917 . 1 557 52 52 ILE HG13 H 0.917 . 1 558 52 52 ILE HG2 H 0.655 . 2 559 52 52 ILE C C 177.082 . 1 560 52 52 ILE CA C 62.545 . 1 561 52 52 ILE CB C 35.657 . 1 562 52 52 ILE CD1 C 11.081 . 1 563 52 52 ILE CG1 C 28.334 . 2 564 52 52 ILE CG2 C 18.766 . 1 565 52 52 ILE N N 122.412 . 1 566 53 53 ALA H H 8.716 . 1 567 53 53 ALA HA H 3.801 . 1 568 53 53 ALA HB H 1.621 . 1 569 53 53 ALA C C 180.178 . 1 570 53 53 ALA CA C 55.096 . 1 571 53 53 ALA CB C 18.216 . 1 572 53 53 ALA N N 122.957 . 1 573 54 54 GLU H H 7.678 . 1 574 54 54 GLU HA H 3.885 . 1 575 54 54 GLU HB2 H 2.103 . 2 576 54 54 GLU HB3 H 2.018 . 2 577 54 54 GLU HG2 H 2.332 . 2 578 54 54 GLU HG3 H 2.175 . 2 579 54 54 GLU C C 18.342 . 1 580 54 54 GLU CA C 58.366 . 1 581 54 54 GLU CB C 28.026 . 1 582 54 54 GLU CG C 34.531 . 1 583 54 54 GLU N N 118.362 . 1 584 55 55 TYR H H 7.415 . 1 585 55 55 TYR HA H 5.644 . 1 586 55 55 TYR HB2 H 2.632 . 2 587 55 55 TYR HB3 H 2.632 . 2 588 55 55 TYR HD1 H 7.151 . 3 589 55 55 TYR HD2 H 6.855 . 3 590 55 55 TYR HE1 H 6.855 . 3 591 55 55 TYR HE2 H 6.855 . 3 592 55 55 TYR C C 178.414 . 1 593 55 55 TYR CA C 59.274 . 1 594 55 55 TYR CB C 37.111 . 1 595 55 55 TYR CD1 C 133.179 . 3 596 55 55 TYR CD2 C 118.294 . 3 597 55 55 TYR CE1 C 118.294 . 3 598 55 55 TYR CE2 C 118.294 . 3 599 55 55 TYR N N 121.077 . 1 600 56 56 ILE H H 7.672 . 1 601 56 56 ILE HA H 3.006 . 1 602 56 56 ILE HB H 1.123 . 1 603 56 56 ILE HD1 H -0.023 . 1 604 56 56 ILE HG12 H 0.435 . 1 605 56 56 ILE HG13 H 0.965 . 1 606 56 56 ILE HG2 H -0.342 . 2 607 56 56 ILE C C 178.522 . 1 608 56 56 ILE CA C 63.544 . 1 609 56 56 ILE CB C 36.202 . 1 610 56 56 ILE CD1 C 12.101 . 1 611 56 56 ILE CG1 C 26.766 . 2 612 56 56 ILE CG2 C 16.257 . 1 613 56 56 ILE N N 118.342 . 1 614 57 57 SER H H 8.057 . 1 615 57 57 SER HA H 4.453 . 1 616 57 57 SER HB2 H 3.979 . 2 617 57 57 SER HB3 H 3.878 . 2 618 57 57 SER C C 175.137 . 1 619 57 57 SER CA C 60.546 . 1 620 57 57 SER CB C 62.454 . 1 621 57 57 SER N N 113.853 . 1 622 58 58 GLY H H 7.320 . 1 623 58 58 GLY HA2 H 3.807 . 2 624 58 58 GLY HA3 H 3.574 . 2 625 58 58 GLY C C 174.381 . 1 626 58 58 GLY CA C 45.104 . 1 627 58 58 GLY N N 107.038 . 1 628 59 59 TYR H H 8.084 . 1 629 59 59 TYR HA H 4.337 . 1 630 59 59 TYR HB2 H 3.068 . 2 631 59 59 TYR HB3 H 2.928 . 2 632 59 59 TYR HD1 H 7.002 . 3 633 59 59 TYR HD2 H 7.002 . 3 634 59 59 TYR HE1 H 6.338 . 3 635 59 59 TYR HE2 H 6.338 . 3 636 59 59 TYR C C 176.037 . 1 637 59 59 TYR CA C 59.365 . 1 638 59 59 TYR CB C 39.108 . 1 639 59 59 TYR CD1 C 133.363 . 3 640 59 59 TYR CD2 C 133.363 . 3 641 59 59 TYR CE1 C 118.476 . 3 642 59 59 TYR CE2 C 118.476 . 3 643 59 59 TYR N N 117.967 . 1 644 60 60 GLN H H 8.194 . 1 645 60 60 GLN HA H 4.422 . 1 646 60 60 GLN HB2 H 2.345 . 2 647 60 60 GLN HB3 H 2.274 . 2 648 60 60 GLN HE22 H 7.281 . 2 649 60 60 GLN HG2 H 2.424 . 2 650 60 60 GLN HG3 H 2.424 . 2 651 60 60 GLN C C 173.535 . 1 652 60 60 GLN CA C 55.096 . 1 653 60 60 GLN CB C 26.482 . 1 654 60 60 GLN CD C 110.744 . 1 655 60 60 GLN CG C 30.295 . 1 656 60 60 GLN N N 115.455 . 1 657 60 60 GLN NE2 N 110.748 . 1 658 61 61 ARG H H 8.528 . 1 659 61 61 ARG HA H 4.734 . 1 660 61 61 ARG HB2 H 2.057 . 2 661 61 61 ARG HB3 H 1.652 . 2 662 61 61 ARG HD2 H 3.159 . 2 663 61 61 ARG HD3 H 3.159 . 2 664 61 61 ARG HG2 H 1.604 . 2 665 61 61 ARG HG3 H 1.604 . 2 666 61 61 ARG C C 175.947 . 1 667 61 61 ARG CA C 54.278 . 1 668 61 61 ARG CB C 30.751 . 1 669 61 61 ARG CD C 42.529 . 1 670 61 61 ARG CG C 26.609 . 1 671 61 61 ARG N N 116.904 . 1 672 62 62 SER H H 8.686 . 1 673 62 62 SER HA H 4.574 . 1 674 62 62 SER HB2 H 3.165 . 2 675 62 62 SER HB3 H 3.076 . 2 676 62 62 SER C C 174.004 . 1 677 62 62 SER CA C 58.184 . 1 678 62 62 SER CB C 64.634 . 1 679 62 62 SER N N 114.299 . 1 680 63 63 GLN H H 8.425 . 1 681 63 63 GLN HA H 4.204 . 1 682 63 63 GLN HB2 H 1.963 . 2 683 63 63 GLN HB3 H 1.815 . 2 684 63 63 GLN HE21 H 7.500 . 2 685 63 63 GLN HE22 H 6.847 . 2 686 63 63 GLN HG2 H 2.211 . 2 687 63 63 GLN HG3 H 2.211 . 2 688 63 63 GLN CA C 54.611 . 1 689 63 63 GLN CB C 28.393 . 1 690 63 63 GLN CG C 33.118 . 1 691 63 63 GLN N N 121.728 . 1 692 63 63 GLN NE2 N 111.987 . 1 693 65 65 ILE H H 7.846 . 1 694 65 65 ILE HA H 4.368 . 1 695 65 65 ILE HB H 1.675 . 1 696 65 65 ILE HD1 H 0.384 . 1 697 65 65 ILE HG12 H 1.468 . 1 698 65 65 ILE HG13 H 1.057 . 1 699 65 65 ILE HG2 H 0.849 . 2 700 65 65 ILE C C 176.379 . 1 701 65 65 ILE CA C 59.911 . 1 702 65 65 ILE CB C 42.106 . 1 703 65 65 ILE CD1 C 15.316 . 1 704 65 65 ILE CG1 C 17.591 . 2 705 65 65 ILE CG2 C 26.766 . 1 706 65 65 ILE N N 114.340 . 1 707 66 66 TRP H H 9.917 . 1 708 66 66 TRP HA H 5.667 . 1 709 66 66 TRP HB2 H 3.496 . 2 710 66 66 TRP HB3 H 3.496 . 2 711 66 66 TRP HD1 H 7.218 . 1 712 66 66 TRP HE1 H 10.345 . 3 713 66 66 TRP C C 175.875 . 1 714 66 66 TRP CA C 57.912 . 1 715 66 66 TRP CB C 31.478 . 1 716 66 66 TRP CD1 C 124.742 . 3 717 66 66 TRP N N 126.519 . 1 718 66 66 TRP NE1 N 129.808 . 1 719 67 67 ILE H H 8.258 . 1 720 67 67 ILE HA H 5.099 . 1 721 67 67 ILE HB H 2.502 . 1 722 67 67 ILE HD1 H -0.010 . 1 723 67 67 ILE HG12 H 1.199 . 1 724 67 67 ILE HG13 H 1.037 . 1 725 67 67 ILE HG2 H 1.157 . 2 726 67 67 ILE C C 176.469 . 1 727 67 67 ILE CA C 59.547 . 1 728 67 67 ILE CB C 40.834 . 1 729 67 67 ILE CD1 C 12.022 . 1 730 67 67 ILE CG1 C 25.276 . 2 731 67 67 ILE CG2 C 19.551 . 1 732 67 67 ILE N N 111.190 . 1 733 68 68 GLY H H 9.570 . 1 734 68 68 GLY HA2 H 4.274 . 2 735 68 68 GLY HA3 H 3.878 . 2 736 68 68 GLY C C 172.419 . 1 737 68 68 GLY CA C 48.374 . 1 738 68 68 GLY N N 107.267 . 1 739 69 69 LEU H H 7.145 . 1 740 69 69 LEU HA H 4.734 . 1 741 69 69 LEU HB2 H 1.208 . 2 742 69 69 LEU HB3 H 0.329 . 2 743 69 69 LEU HD1 H -0.899 . 2 744 69 69 LEU HD2 H -0.899 . 2 745 69 69 LEU HG H -0.218 . 1 746 69 69 LEU C C 174.741 . 1 747 69 69 LEU CA C 52.643 . 1 748 69 69 LEU CB C 41.834 . 1 749 69 69 LEU CD1 C 20.806 . 1 750 69 69 LEU CD2 C 20.806 . 1 751 69 69 LEU CG C 25.825 . 1 752 69 69 LEU N N 126.483 . 1 753 70 70 HIS H H 9.307 . 1 754 70 70 HIS HA H 5.224 . 1 755 70 70 HIS HB2 H 2.702 . 2 756 70 70 HIS HB3 H 2.516 . 2 757 70 70 HIS HD2 H 7.068 . 3 758 70 70 HIS C C 171.213 . 1 759 70 70 HIS CA C 53.007 . 1 760 70 70 HIS CB C 30.025 . 1 761 70 70 HIS CD2 C 119.799 . 1 762 70 70 HIS N N 120.324 . 1 763 71 71 ASP H H 7.753 . 1 764 71 71 ASP CA C 49.464 . 1 765 71 71 ASP CB C 39.926 . 1 766 71 71 ASP N N 118.634 . 1 767 72 72 PRO HA H 3.932 . 1 768 72 72 PRO HB2 H 1.839 . 2 769 72 72 PRO HB3 H 1.731 . 2 770 72 72 PRO HD2 H 3.421 . 2 771 72 72 PRO HD3 H 3.421 . 2 772 72 72 PRO HG2 H 1.628 . 2 773 72 72 PRO HG3 H 1.322 . 2 774 72 72 PRO C C 178.036 . 1 775 72 72 PRO CA C 63.544 . 1 776 72 72 PRO CB C 30.751 . 1 777 72 72 PRO CD C 49.038 . 1 778 72 72 PRO CG C 26.217 . 1 779 73 73 GLN H H 8.838 . 1 780 73 73 GLN HA H 4.103 . 1 781 73 73 GLN HB2 H 2.025 . 2 782 73 73 GLN HB3 H 1.722 . 2 783 73 73 GLN HE21 H 7.471 . 2 784 73 73 GLN HE22 H 6.885 . 2 785 73 73 GLN HG2 H 2.122 . 2 786 73 73 GLN HG3 H 2.122 . 2 787 73 73 GLN C C 174.867 . 1 788 73 73 GLN CA C 54.733 . 1 789 73 73 GLN CB C 27.118 . 1 790 73 73 GLN CG C 33.824 . 1 791 73 73 GLN N N 116.171 . 1 792 73 73 GLN NE2 N 111.153 . 1 793 74 74 LYS H H 7.390 . 1 794 74 74 LYS HA H 3.045 . 1 795 74 74 LYS HB2 H 1.784 . 2 796 74 74 LYS HB3 H 1.123 . 2 797 74 74 LYS HD2 H 1.269 . 2 798 74 74 LYS HD3 H 1.269 . 2 799 74 74 LYS HE2 H 3.027 . 2 800 74 74 LYS HE3 H 3.027 . 2 801 74 74 LYS HG2 H -0.186 . 2 802 74 74 LYS HG3 H 0.664 . 2 803 74 74 LYS C C 175.263 . 1 804 74 74 LYS CA C 56.438 . 1 805 74 74 LYS CB C 27.663 . 1 806 74 74 LYS CD C 28.413 . 1 807 74 74 LYS CE C 41.274 . 1 808 74 74 LYS CG C 23.864 . 1 809 74 74 LYS N N 114.111 . 1 810 75 75 ARG H H 7.973 . 1 811 75 75 ARG HA H 4.569 . 1 812 75 75 ARG HB2 H 1.808 . 2 813 75 75 ARG HB3 H 1.241 . 2 814 75 75 ARG HD2 H 2.983 . 2 815 75 75 ARG HD3 H 2.983 . 2 816 75 75 ARG HG2 H 1.328 . 2 817 75 75 ARG HG3 H 1.279 . 2 818 75 75 ARG C C 175.011 . 1 819 75 75 ARG CA C 53.824 . 1 820 75 75 ARG CB C 30.479 . 1 821 75 75 ARG CD C 42.686 . 1 822 75 75 ARG CG C 25.668 . 1 823 75 75 ARG N N 118.142 . 1 824 76 76 GLN H H 9.931 . 1 825 76 76 GLN HA H 2.851 . 1 826 76 76 GLN HB2 H 2.267 . 2 827 76 76 GLN HB3 H 2.267 . 2 828 76 76 GLN HE21 H 7.508 . 2 829 76 76 GLN HE22 H 6.902 . 2 830 76 76 GLN HG2 H 2.219 . 2 831 76 76 GLN HG3 H 2.219 . 2 832 76 76 GLN C C 174.869 . 1 833 76 76 GLN CA C 55.823 . 1 834 76 76 GLN CB C 24.393 . 1 835 76 76 GLN CG C 32.961 . 1 836 76 76 GLN N N 120.180 . 1 837 76 76 GLN NE2 N 112.675 . 1 838 77 77 GLN H H 7.465 . 1 839 77 77 GLN HA H 4.477 . 1 840 77 77 GLN HB2 H 1.862 . 2 841 77 77 GLN HB3 H 1.457 . 2 842 77 77 GLN HE21 H 7.386 . 2 843 77 77 GLN HE22 H 6.798 . 2 844 77 77 GLN HG2 H 2.106 . 2 845 77 77 GLN HG3 H 2.106 . 2 846 77 77 GLN C C 173.805 . 1 847 77 77 GLN CA C 52.734 . 1 848 77 77 GLN CB C 27.572 . 1 849 77 77 GLN CG C 32.569 . 1 850 77 77 GLN N N 122.196 . 1 851 77 77 GLN NE2 N 111.521 . 1 852 78 78 TRP H H 7.115 . 1 853 78 78 TRP HA H 4.025 . 1 854 78 78 TRP HB2 H 2.453 . 2 855 78 78 TRP HB3 H 2.212 . 2 856 78 78 TRP HD1 H 7.088 . 1 857 78 78 TRP HE1 H 9.661 . 3 858 78 78 TRP C C 174.903 . 1 859 78 78 TRP CA C 56.641 . 1 860 78 78 TRP CB C 28.026 . 1 861 78 78 TRP CD1 C 126.725 . 3 862 78 78 TRP N N 122.913 . 1 863 78 78 TRP NE1 N 128.886 . 1 864 79 79 GLN H H 8.932 . 1 865 79 79 GLN HA H 4.531 . 1 866 79 79 GLN HB2 H 2.337 . 2 867 79 79 GLN HB3 H 2.079 . 2 868 79 79 GLN HE21 H 7.416 . 2 869 79 79 GLN HE22 H 6.908 . 2 870 79 79 GLN HG2 H 2.426 . 2 871 79 79 GLN HG3 H 2.426 . 2 872 79 79 GLN C C 179.047 . 1 873 79 79 GLN CA C 53.097 . 1 874 79 79 GLN CB C 32.477 . 1 875 79 79 GLN CG C 32.726 . 1 876 79 79 GLN N N 116.553 . 1 877 79 79 GLN NE2 N 112.659 . 1 878 80 80 TRP H H 9.191 . 1 879 80 80 TRP HA H 5.403 . 1 880 80 80 TRP HB2 H 3.527 . 2 881 80 80 TRP HB3 H 3.426 . 2 882 80 80 TRP HD1 H 7.562 . 1 883 80 80 TRP HE1 H 10.525 . 3 884 80 80 TRP C C 180.161 . 1 885 80 80 TRP CA C 54.733 . 1 886 80 80 TRP CB C 30.025 . 1 887 80 80 TRP N N 124.479 . 1 888 80 80 TRP NE1 N 128.001 . 1 889 81 81 ILE H H 9.687 . 1 890 81 81 ILE HA H 4.555 . 1 891 81 81 ILE HB H 1.808 . 1 892 81 81 ILE HD1 H 1.025 . 1 893 81 81 ILE HG12 H 1.431 . 1 894 81 81 ILE HG13 H 1.255 . 1 895 81 81 ILE HG2 H 1.134 . 2 896 81 81 ILE C C 174.363 . 1 897 81 81 ILE CA C 60.183 . 1 898 81 81 ILE CB C 38.382 . 1 899 81 81 ILE CD1 C 14.139 . 1 900 81 81 ILE CG1 C 29.118 . 2 901 81 81 ILE CG2 C 19.081 . 1 902 81 81 ILE N N 127.279 . 1 903 82 82 ASP H H 8.224 . 1 904 82 82 ASP HA H 3.667 . 1 905 82 82 ASP HB2 H 3.115 . 2 906 82 82 ASP HB3 H 2.329 . 2 907 82 82 ASP C C 177.136 . 1 908 82 82 ASP CA C 52.371 . 1 909 82 82 ASP CB C 39.835 . 1 910 82 82 ASP N N 119.224 . 1 911 83 83 GLY H H 8.066 . 1 912 83 83 GLY HA2 H 4.228 . 2 913 83 83 GLY HA3 H 3.846 . 2 914 83 83 GLY C C 174.615 . 1 915 83 83 GLY CA C 44.286 . 1 916 83 83 GLY N N 107.832 . 1 917 84 84 ALA H H 8.257 . 1 918 84 84 ALA HA H 4.212 . 1 919 84 84 ALA HB H 1.302 . 1 920 84 84 ALA C C 176.829 . 1 921 84 84 ALA CA C 51.917 . 1 922 84 84 ALA CB C 18.942 . 1 923 84 84 ALA N N 124.921 . 1 924 85 85 MET H H 8.575 . 1 925 85 85 MET HA H 4.453 . 1 926 85 85 MET HB2 H 2.158 . 2 927 85 85 MET HB3 H 2.057 . 2 928 85 85 MET HG2 H 2.751 . 2 929 85 85 MET HG3 H 2.627 . 2 930 85 85 MET C C 176.487 . 1 931 85 85 MET CA C 55.641 . 1 932 85 85 MET CB C 32.296 . 1 933 85 85 MET CG C 31.628 . 1 934 85 85 MET N N 120.063 . 1 935 86 86 TYR H H 8.927 . 1 936 86 86 TYR HA H 5.309 . 1 937 86 86 TYR HB2 H 3.169 . 2 938 86 86 TYR HB3 H 2.983 . 2 939 86 86 TYR HD1 H 7.094 . 3 940 86 86 TYR HD2 H 7.094 . 3 941 86 86 TYR HE1 H 6.531 . 3 942 86 86 TYR HE2 H 6.531 . 3 943 86 86 TYR C C 173.887 . 1 944 86 86 TYR CA C 55.641 . 1 945 86 86 TYR CB C 37.019 . 1 946 86 86 TYR CD1 C 132.969 . 3 947 86 86 TYR CD2 C 132.969 . 3 948 86 86 TYR CE1 C 119.108 . 3 949 86 86 TYR CE2 C 119.108 . 3 950 86 86 TYR N N 126.474 . 1 951 87 87 LEU H H 8.861 . 1 952 87 87 LEU HA H 4.359 . 1 953 87 87 LEU HB2 H 1.761 . 2 954 87 87 LEU HB3 H 1.699 . 2 955 87 87 LEU HD1 H 0.966 . 2 956 87 87 LEU HD2 H 0.966 . 2 957 87 87 LEU HG H 1.534 . 1 958 87 87 LEU C C 175.317 . 1 959 87 87 LEU CA C 56.004 . 1 960 87 87 LEU CB C 42.924 . 1 961 87 87 LEU CD1 C 23.786 . 1 962 87 87 LEU CD2 C 23.786 . 1 963 87 87 LEU CG C 26.529 . 1 964 87 87 LEU N N 131.547 . 1 965 88 88 TYR H H 8.525 . 1 966 88 88 TYR HA H 4.313 . 1 967 88 88 TYR HB2 H 3.146 . 2 968 88 88 TYR HB3 H 2.702 . 2 969 88 88 TYR HD1 H 7.156 . 3 970 88 88 TYR HD2 H 7.156 . 3 971 88 88 TYR HE1 H 6.505 . 3 972 88 88 TYR HE2 H 6.505 . 3 973 88 88 TYR C C 174.039 . 1 974 88 88 TYR CA C 58.821 . 1 975 88 88 TYR CB C 38.386 . 1 976 88 88 TYR CD1 C 132.996 . 3 977 88 88 TYR CD2 C 132.996 . 3 978 88 88 TYR CE1 C 117.583 . 3 979 88 88 TYR CE2 C 117.583 . 3 980 88 88 TYR N N 123.409 . 1 981 89 89 ARG H H 7.297 . 1 982 89 89 ARG HA H 4.593 . 1 983 89 89 ARG HB2 H 1.831 . 2 984 89 89 ARG HB3 H 1.613 . 2 985 89 89 ARG HD2 H 2.844 . 2 986 89 89 ARG HD3 H 2.985 . 2 987 89 89 ARG HG2 H 2.077 . 2 988 89 89 ARG HG3 H 2.077 . 2 989 89 89 ARG C C 175.209 . 1 990 89 89 ARG CA C 53.279 . 1 991 89 89 ARG CB C 31.206 . 1 992 89 89 ARG CD C 37.118 . 1 993 89 89 ARG CG C 32.334 . 1 994 89 89 ARG N N 121.500 . 1 995 90 90 SER H H 8.376 . 1 996 90 90 SER HA H 3.932 . 1 997 90 90 SER HB2 H 2.601 . 2 998 90 90 SER HB3 H 2.352 . 2 999 90 90 SER C C 172.689 . 1 1000 90 90 SER CA C 58.131 . 1 1001 90 90 SER CB C 61.786 . 1 1002 90 90 SER N N 118.028 . 1 1003 91 91 TRP H H 7.983 . 1 1004 91 91 TRP HA H 4.741 . 1 1005 91 91 TRP HB2 H 3.379 . 2 1006 91 91 TRP HB3 H 2.858 . 2 1007 91 91 TRP HD1 H 7.166 . 1 1008 91 91 TRP C C 177.406 . 1 1009 91 91 TRP CA C 56.095 . 1 1010 91 91 TRP CB C 29.752 . 1 1011 91 91 TRP CD1 C 124.541 . 3 1012 91 91 TRP N N 123.172 . 1 1013 92 92 SER H H 9.358 . 1 1014 92 92 SER HA H 4.352 . 1 1015 92 92 SER HB2 H 3.924 . 2 1016 92 92 SER HB3 H 3.854 . 2 1017 92 92 SER C C 174.651 . 1 1018 92 92 SER CA C 58.094 . 1 1019 92 92 SER CB C 63.271 . 1 1020 92 92 SER N N 117.384 . 1 1021 93 93 GLY H H 8.294 . 1 1022 93 93 GLY HA2 H 3.488 . 2 1023 93 93 GLY HA3 H 3.294 . 2 1024 93 93 GLY C C 173.751 . 1 1025 93 93 GLY CA C 44.651 . 1 1026 93 93 GLY N N 110.440 . 1 1027 94 94 LYS H H 8.151 . 1 1028 94 94 LYS HA H 4.282 . 1 1029 94 94 LYS HB2 H 1.808 . 2 1030 94 94 LYS HB3 H 1.652 . 2 1031 94 94 LYS HD2 H 1.578 . 2 1032 94 94 LYS HD3 H 1.578 . 2 1033 94 94 LYS HE2 H 2.904 . 2 1034 94 94 LYS HE3 H 2.904 . 2 1035 94 94 LYS HG2 H 1.312 . 2 1036 94 94 LYS HG3 H 1.312 . 2 1037 94 94 LYS C C 176.361 . 1 1038 94 94 LYS CA C 55.368 . 1 1039 94 94 LYS CB C 32.114 . 1 1040 94 94 LYS CD C 28.334 . 1 1041 94 94 LYS CE C 41.509 . 1 1042 94 94 LYS CG C 24.021 . 1 1043 94 94 LYS N N 121.007 . 1 1044 95 95 SER H H 8.251 . 1 1045 95 95 SER HA H 4.352 . 1 1046 95 95 SER HB2 H 3.784 . 2 1047 95 95 SER HB3 H 3.784 . 2 1048 95 95 SER C C 174.525 . 1 1049 95 95 SER CA C 57.731 . 1 1050 95 95 SER CB C 62.908 . 1 1051 95 95 SER N N 116.664 . 1 1052 96 96 MET H H 8.425 . 1 1053 96 96 MET HA H 4.492 . 1 1054 96 96 MET HB2 H 1.994 . 2 1055 96 96 MET HB3 H 1.831 . 2 1056 96 96 MET HG2 H 2.417 . 2 1057 96 96 MET HG3 H 2.328 . 2 1058 96 96 MET C C 176.307 . 1 1059 96 96 MET CA C 54.278 . 1 1060 96 96 MET CB C 32.205 . 1 1061 96 96 MET CG C 31.314 . 1 1062 96 96 MET N N 123.128 . 1 1063 97 97 GLY H H 8.268 . 1 1064 97 97 GLY HA2 H 3.994 . 2 1065 97 97 GLY HA3 H 3.871 . 2 1066 97 97 GLY C C 174.219 . 1 1067 97 97 GLY CA C 44.286 . 1 1068 97 97 GLY N N 109.276 . 1 1069 98 98 GLY H H 8.393 . 1 1070 98 98 GLY HA2 H 3.878 . 2 1071 98 98 GLY HA3 H 3.878 . 2 1072 98 98 GLY C C 174.221 . 1 1073 98 98 GLY CA C 44.741 . 1 1074 98 98 GLY N N 108.448 . 1 1075 99 99 ASN H H 8.694 . 1 1076 99 99 ASN HA H 4.741 . 1 1077 99 99 ASN HB2 H 2.975 . 2 1078 99 99 ASN HB3 H 2.757 . 2 1079 99 99 ASN HD21 H 7.728 . 2 1080 99 99 ASN HD22 H 6.936 . 2 1081 99 99 ASN C C 174.651 . 1 1082 99 99 ASN CA C 51.826 . 1 1083 99 99 ASN CB C 37.019 . 1 1084 99 99 ASN N N 119.184 . 1 1085 99 99 ASN ND2 N 112.377 . 1 1086 100 100 LYS H H 7.264 . 1 1087 100 100 LYS HA H 4.181 . 1 1088 100 100 LYS HB2 H 1.714 . 2 1089 100 100 LYS HB3 H 1.395 . 2 1090 100 100 LYS HD2 H 1.538 . 2 1091 100 100 LYS HD3 H 1.538 . 2 1092 100 100 LYS HE2 H 3.009 . 2 1093 100 100 LYS HE3 H 3.009 . 2 1094 100 100 LYS HG2 H 1.112 . 2 1095 100 100 LYS HG3 H 1.112 . 2 1096 100 100 LYS C C 175.857 . 1 1097 100 100 LYS CA C 55.096 . 1 1098 100 100 LYS CB C 32.386 . 1 1099 100 100 LYS CD C 28.962 . 1 1100 100 100 LYS CE C 41.902 . 1 1101 100 100 LYS CG C 24.491 . 1 1102 100 100 LYS N N 120.669 . 1 1103 101 101 HIS H H 8.167 . 1 1104 101 101 HIS HA H 4.944 . 1 1105 101 101 HIS HB2 H 3.418 . 2 1106 101 101 HIS HB3 H 2.998 . 2 1107 101 101 HIS HD2 H 7.241 . 3 1108 101 101 HIS C C 172.977 . 1 1109 101 101 HIS CA C 54.642 . 1 1110 101 101 HIS CB C 27.935 . 1 1111 101 101 HIS CD2 C 119.699 . 1 1112 101 101 HIS N N 117.580 . 1 1113 102 102 CYS H H 8.478 . 1 1114 102 102 CYS HA H 4.921 . 1 1115 102 102 CYS HB2 H 2.656 . 2 1116 102 102 CYS HB3 H 2.499 . 2 1117 102 102 CYS C C 171.321 . 1 1118 102 102 CYS CA C 59.547 . 1 1119 102 102 CYS CB C 47.284 . 1 1120 102 102 CYS N N 119.085 . 1 1121 103 103 ALA H H 8.239 . 1 1122 103 103 ALA HA H 5.551 . 1 1123 103 103 ALA HB H 1.076 . 1 1124 103 103 ALA C C 173.607 . 1 1125 103 103 ALA CA C 50.578 . 1 1126 103 103 ALA CB C 22.255 . 1 1127 103 103 ALA N N 123.430 . 1 1128 104 104 GLU H H 8.945 . 1 1129 104 104 GLU HA H 5.675 . 1 1130 104 104 GLU HB2 H 1.761 . 2 1131 104 104 GLU HB3 H 1.761 . 2 1132 104 104 GLU HG2 H 2.589 . 2 1133 104 104 GLU HG3 H 2.589 . 2 1134 104 104 GLU C C 173.767 . 1 1135 104 104 GLU CA C 51.138 . 1 1136 104 104 GLU CB C 32.328 . 1 1137 104 104 GLU CG C 32.804 . 1 1138 104 104 GLU N N 115.375 . 1 1139 105 105 MET H H 9.474 . 1 1140 105 105 MET HA H 4.842 . 1 1141 105 105 MET HB2 H 2.329 . 2 1142 105 105 MET HB3 H 2.142 . 2 1143 105 105 MET HG2 H 2.605 . 2 1144 105 105 MET HG3 H 2.688 . 2 1145 105 105 MET C C 176.307 . 1 1146 105 105 MET CA C 55.168 . 1 1147 105 105 MET CB C 35.129 . 1 1148 105 105 MET CG C 31.471 . 1 1149 105 105 MET N N 119.184 . 1 1150 106 106 SER H H 8.735 . 1 1151 106 106 SER HA H 4.352 . 1 1152 106 106 SER HB2 H 3.807 . 2 1153 106 106 SER HB3 H 3.753 . 2 1154 106 106 SER C C 174.525 . 1 1155 106 106 SER CA C 56.735 . 1 1156 106 106 SER CB C 63.116 . 1 1157 106 106 SER N N 118.336 . 1 1158 107 107 SER H H 8.424 . 1 1159 107 107 SER N N 123.634 . 1 1160 108 108 ASN HA H 4.734 . 1 1161 108 108 ASN HB2 H 1.948 . 2 1162 108 108 ASN HB3 H 1.255 . 2 1163 108 108 ASN HD21 H 7.458 . 2 1164 108 108 ASN HD22 H 6.558 . 2 1165 108 108 ASN C C 174.354 . 1 1166 108 108 ASN CA C 54.944 . 1 1167 108 108 ASN CB C 31.435 . 1 1168 108 108 ASN ND2 N 111.521 . 1 1169 109 109 ASN H H 7.656 . 1 1170 109 109 ASN HA H 4.827 . 1 1171 109 109 ASN HB2 H 2.951 . 2 1172 109 109 ASN HB3 H 3.488 . 2 1173 109 109 ASN C C 170.979 . 1 1174 109 109 ASN CA C 54.906 . 1 1175 109 109 ASN CB C 28.055 . 1 1176 109 109 ASN N N 115.977 . 1 1177 110 110 ASN H H 8.766 . 1 1178 110 110 ASN HA H 4.269 . 1 1179 110 110 ASN HB2 H 1.731 . 2 1180 110 110 ASN HB3 H 1.523 . 2 1181 110 110 ASN CA C 54.906 . 1 1182 110 110 ASN CB C 42.539 . 1 1183 110 110 ASN N N 124.424 . 1 1184 111 111 PHE H H 7.753 . 1 1185 111 111 PHE HA H 4.889 . 1 1186 111 111 PHE HB2 H 2.913 . 2 1187 111 111 PHE HB3 H 2.316 . 2 1188 111 111 PHE HD1 H 7.069 . 3 1189 111 111 PHE HD2 H 7.069 . 3 1190 111 111 PHE HE1 H 6.817 . 3 1191 111 111 PHE HE2 H 6.817 . 3 1192 111 111 PHE C C 174.957 . 1 1193 111 111 PHE CA C 51.251 . 1 1194 111 111 PHE CB C 37.816 . 1 1195 111 111 PHE CD1 C 133.251 . 3 1196 111 111 PHE CD2 C 133.251 . 3 1197 111 111 PHE CE1 C 130.790 . 3 1198 111 111 PHE CE2 C 130.790 . 3 1199 111 111 PHE N N 108.647 . 1 1200 112 112 LEU H H 7.758 . 1 1201 112 112 LEU HA H 4.002 . 1 1202 112 112 LEU HB2 H 2.695 . 2 1203 112 112 LEU HB3 H 2.368 . 2 1204 112 112 LEU C C 175.209 . 1 1205 112 112 LEU CA C 54.161 . 1 1206 112 112 LEU CB C 36.137 . 1 1207 112 112 LEU N N 115.334 . 1 1208 113 113 THR H H 8.378 . 1 1209 113 113 THR HA H 4.765 . 1 1210 113 113 THR HB H 3.597 . 1 1211 113 113 THR HG2 H 0.958 . 1 1212 113 113 THR C C 175.263 . 1 1213 113 113 THR CA C 58.974 . 1 1214 113 113 THR CB C 62.781 . 1 1215 113 113 THR CG2 C 20.649 . 1 1216 113 113 THR N N 118.622 . 1 1217 114 114 TRP H H 7.739 . 1 1218 114 114 TRP HA H 6.064 . 1 1219 114 114 TRP HB2 H 2.501 . 2 1220 114 114 TRP HB3 H 2.259 . 2 1221 114 114 TRP HE1 H 11.137 . 3 1222 114 114 TRP C C 176.649 . 1 1223 114 114 TRP CA C 51.809 . 1 1224 114 114 TRP CB C 30.203 . 1 1225 114 114 TRP N N 116.909 . 1 1226 114 114 TRP NE1 N 130.850 . 1 1227 115 115 SER H H 9.010 . 1 1228 115 115 SER HA H 5.379 . 1 1229 115 115 SER HB2 H 3.994 . 2 1230 115 115 SER HB3 H 3.815 . 2 1231 115 115 SER C C 173.679 . 1 1232 115 115 SER CA C 55.952 . 1 1233 115 115 SER CB C 65.243 . 1 1234 115 115 SER N N 114.463 . 1 1235 116 116 SER H H 8.992 . 1 1236 116 116 SER HA H 5.356 . 1 1237 116 116 SER HB2 H 4.111 . 2 1238 116 116 SER HB3 H 3.924 . 2 1239 116 116 SER C C 173.697 . 1 1240 116 116 SER CA C 56.175 . 1 1241 116 116 SER CB C 64.461 . 1 1242 116 116 SER N N 119.216 . 1 1243 117 117 ASN H H 9.784 . 1 1244 117 117 ASN HA H 4.835 . 1 1245 117 117 ASN HB2 H 2.874 . 2 1246 117 117 ASN HB3 H 2.586 . 2 1247 117 117 ASN HD21 H 7.371 . 2 1248 117 117 ASN HD22 H 6.771 . 2 1249 117 117 ASN C C 173.895 . 1 1250 117 117 ASN CA C 50.354 . 1 1251 117 117 ASN CB C 41.174 . 1 1252 117 117 ASN N N 120.373 . 1 1253 117 117 ASN ND2 N 112.078 . 1 1254 118 118 GLU H H 9.319 . 1 1255 118 118 GLU HA H 4.625 . 1 1256 118 118 GLU HB2 H 2.359 . 2 1257 118 118 GLU HB3 H 2.088 . 2 1258 118 118 GLU HG2 H 2.484 . 2 1259 118 118 GLU HG3 H 2.416 . 2 1260 118 118 GLU C C 178.181 . 1 1261 118 118 GLU CA C 56.623 . 1 1262 118 118 GLU CB C 28.972 . 1 1263 118 118 GLU CG C 36.098 . 1 1264 118 118 GLU N N 122.293 . 1 1265 119 119 CYS H H 9.087 . 1 1266 119 119 CYS HA H 4.181 . 1 1267 119 119 CYS HB2 H 3.169 . 2 1268 119 119 CYS HB3 H 3.006 . 2 1269 119 119 CYS C C 174.759 . 1 1270 119 119 CYS CA C 57.295 . 1 1271 119 119 CYS CB C 43.973 . 1 1272 119 119 CYS N N 122.946 . 1 1273 120 120 ASN H H 8.554 . 1 1274 120 120 ASN HA H 4.749 . 1 1275 120 120 ASN HB2 H 3.045 . 2 1276 120 120 ASN HB3 H 2.889 . 2 1277 120 120 ASN HD21 H 7.673 . 2 1278 120 120 ASN HD22 H 7.008 . 2 1279 120 120 ASN C C 175.605 . 1 1280 120 120 ASN CA C 53.377 . 1 1281 120 120 ASN CB C 37.368 . 1 1282 120 120 ASN N N 114.878 . 1 1283 120 120 ASN ND2 N 112.324 . 1 1284 121 121 LYS H H 8.337 . 1 1285 121 121 LYS HA H 4.243 . 1 1286 121 121 LYS HB2 H 2.119 . 2 1287 121 121 LYS HB3 H 1.909 . 2 1288 121 121 LYS HD2 H 1.586 . 2 1289 121 121 LYS HD3 H 1.586 . 2 1290 121 121 LYS HE2 H 2.895 . 2 1291 121 121 LYS HE3 H 2.895 . 2 1292 121 121 LYS HG2 H 1.522 . 2 1293 121 121 LYS HG3 H 1.376 . 2 1294 121 121 LYS C C 175.443 . 1 1295 121 121 LYS CA C 56.623 . 1 1296 121 121 LYS CB C 31.883 . 1 1297 121 121 LYS CD C 28.413 . 1 1298 121 121 LYS CE C 41.666 . 1 1299 121 121 LYS CG C 25.197 . 1 1300 121 121 LYS N N 123.944 . 1 1301 122 122 ARG H H 8.563 . 1 1302 122 122 ARG HA H 4.321 . 1 1303 122 122 ARG HB2 H 1.854 . 2 1304 122 122 ARG HB3 H 1.311 . 2 1305 122 122 ARG HD2 H 3.288 . 2 1306 122 122 ARG HD3 H 3.288 . 2 1307 122 122 ARG HG2 H 1.919 . 2 1308 122 122 ARG HG3 H 1.474 . 2 1309 122 122 ARG C C 174.885 . 1 1310 122 122 ARG CA C 54.721 . 1 1311 122 122 ARG CB C 29.532 . 1 1312 122 122 ARG CD C 43.156 . 1 1313 122 122 ARG CG C 27.236 . 1 1314 122 122 ARG N N 122.817 . 1 1315 123 123 GLN H H 8.901 . 1 1316 123 123 GLN HA H 4.392 . 1 1317 123 123 GLN HB2 H 1.357 . 2 1318 123 123 GLN HB3 H 1.661 . 2 1319 123 123 GLN HE21 H 7.156 . 2 1320 123 123 GLN HE22 H 6.755 . 2 1321 123 123 GLN CA C 56.287 . 1 1322 123 123 GLN CB C 31.323 . 1 1323 123 123 GLN N N 121.485 . 1 1324 123 123 GLN NE2 N 112.270 . 1 1325 124 124 HIS HA H 5.558 . 1 1326 124 124 HIS HB2 H 3.644 . 2 1327 124 124 HIS HB3 H 3.146 . 2 1328 124 124 HIS C C 174.525 . 1 1329 124 124 HIS CA C 54.272 . 1 1330 124 124 HIS CB C 32.778 . 1 1331 125 125 PHE H H 8.153 . 1 1332 125 125 PHE HA H 5.636 . 1 1333 125 125 PHE HB2 H 3.481 . 2 1334 125 125 PHE HB3 H 2.983 . 2 1335 125 125 PHE HD1 H 6.960 . 3 1336 125 125 PHE HD2 H 6.960 . 3 1337 125 125 PHE HE1 H 7.066 . 3 1338 125 125 PHE HE2 H 7.066 . 3 1339 125 125 PHE C C 171.303 . 1 1340 125 125 PHE CA C 56.175 . 1 1341 125 125 PHE CB C 41.286 . 1 1342 125 125 PHE CD1 C 133.161 . 3 1343 125 125 PHE CD2 C 133.161 . 3 1344 125 125 PHE CE1 C 130.421 . 3 1345 125 125 PHE CE2 C 130.421 . 3 1346 125 125 PHE N N 111.228 . 1 1347 126 126 LEU H H 7.720 . 1 1348 126 126 LEU HA H 5.543 . 1 1349 126 126 LEU HB2 H 2.134 . 2 1350 126 126 LEU HB3 H 1.193 . 2 1351 126 126 LEU HD1 H 1.654 . 2 1352 126 126 LEU HD2 H 0.904 . 2 1353 126 126 LEU HG H 0.844 . 1 1354 126 126 LEU C C 175.371 . 1 1355 126 126 LEU CA C 52.145 . 1 1356 126 126 LEU CB C 46.324 . 1 1357 126 126 LEU CD1 C 26.543 . 1 1358 126 126 LEU CD2 C 23.158 . 1 1359 126 126 LEU CG C 26.766 . 1 1360 126 126 LEU N N 121.526 . 1 1361 127 127 CYS H H 9.688 . 1 1362 127 127 CYS HA H 5.801 . 1 1363 127 127 CYS HB2 H 3.286 . 2 1364 127 127 CYS HB3 H 2.827 . 2 1365 127 127 CYS C C 174.633 . 1 1366 127 127 CYS CA C 51.697 . 1 1367 127 127 CYS CB C 40.391 . 1 1368 127 127 CYS N N 124.281 . 1 1369 128 128 LYS H H 9.572 . 1 1370 128 128 LYS HA H 5.871 . 1 1371 128 128 LYS HB2 H 2.142 . 2 1372 128 128 LYS HB3 H 1.629 . 2 1373 128 128 LYS HD2 H 1.705 . 2 1374 128 128 LYS HD3 H 1.705 . 2 1375 128 128 LYS HE2 H 2.655 . 2 1376 128 128 LYS HE3 H 2.655 . 2 1377 128 128 LYS HG2 H 0.918 . 2 1378 128 128 LYS HG3 H 0.611 . 2 1379 128 128 LYS C C 175.209 . 1 1380 128 128 LYS CA C 54.721 . 1 1381 128 128 LYS CB C 37.481 . 1 1382 128 128 LYS CD C 30.531 . 1 1383 128 128 LYS CE C 41.039 . 1 1384 128 128 LYS CG C 24.099 . 1 1385 128 128 LYS N N 123.962 . 1 1386 129 129 TYR H H 8.901 . 1 1387 129 129 TYR HA H 4.851 . 1 1388 129 129 TYR HB2 H 2.967 . 2 1389 129 129 TYR HB3 H 2.617 . 2 1390 129 129 TYR C C 171.177 . 1 1391 129 129 TYR CA C 56.287 . 1 1392 129 129 TYR CB C 39.943 . 1 1393 129 129 TYR N N 121.478 . 1 1394 130 130 ARG H H 8.862 . 1 1395 130 130 ARG CA C 52.033 . 1 1396 130 130 ARG CB C 30.539 . 1 1397 130 130 ARG N N 124.204 . 1 stop_ save_ save_spectral_peak_list_p63s _Saveframe_category spectral_peak_list _Details . _Experiment_label '2D 1H-15N HSQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 2 N NH stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_p63s >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_p63s >> _Spectral_peak_list.Entry_ID 16767 >> _Spectral_peak_list.ID 1 >> _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 1 >> _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >> 0 1.326 0.000 0.000 0 2 {?} >>{?} 11.13659954 0.03843000 0.04082000 {++} 0.00000000 0 0 0 {?} >>{?} 130.85435486 0.35018000 0.36706999 {++} 0.00000000 0 0 0 {?} >> 1 4.277 0.000 0.000 0 2 {?} >>{?} 10.52530003 0.02626000 0.05126000 {++} 0.00000000 0 0 0 {?} >>{?} 128.00439453 0.32841000 0.50019002 {++} 0.00000000 0 0 0 {?} >> 2 4.483 0.000 0.000 0 2 {?} >>{?} 10.34410954 0.03347000 0.06058000 {++} 0.00000000 0 0 0 {?} >>{?} 129.81164551 0.34522000 0.54523998 {++} 0.00000000 0 0 0 {?} >> 3 4.492 4.492 0.000 0 2 {?} >>{76.hn} 9.93087959 0.03446000 0.05701000 {++} 0.00000000 0 0 0 {?} >>{76.n} 120.17957306 0.30937001 0.49765000 {++} 0.00000000 0 0 0 {?} >> 4 3.628 3.628 0.000 0 2 {?} >>{66.hn} 9.91744041 0.03475000 0.05414000 {++} 0.00000000 0 0 0 {?} >>{66.n} 126.51866150 0.33102000 0.49316001 {++} 0.00000000 0 0 0 {?} >> 5 3.609 3.609 0.000 0 2 {?} >>{40.hn} 9.79977989 0.03313000 0.05681000 {++} 0.00000000 0 0 0 {?} >>{40.n} 123.64495087 0.36298999 0.52082998 {++} 0.00000000 0 0 0 {?} >> 6 4.635 0.000 0.000 0 2 {?} >>{?} 9.78981972 0.02689000 0.05313000 {++} 0.00000000 0 0 0 {?} >>{?} 130.31448364 0.34132999 0.51525003 {++} 0.00000000 0 0 0 {?} >> 7 4.736 4.736 0.000 0 2 {?} >>{15.hn} 9.74162006 0.04663000 0.07108000 {++} 0.00000000 0 0 0 {?} >>{15.n} 120.37214661 0.38011000 0.57999003 {++} 0.00000000 0 0 0 {?} >> 8 3.541 3.541 0.000 0 2 {?} >>{8.hn} 9.76471996 0.02630000 0.04413000 {++} 0.00000000 0 0 0 {?} >>{8.n} 124.34023285 0.29611999 0.45400000 {++} 0.00000000 0 0 0 {?} >> 9 2.245 0.000 0.000 0 2 {?} >>{?} 9.74726963 0.03465000 0.04922000 {++} 0.00000000 0 0 0 {?} >>{?} 126.20694733 0.34099999 0.46002001 {++} 0.00000000 0 0 0 {?} >> 10 3.849 3.849 0.000 0 2 {?} >>{81.hn} 9.68706989 0.03619000 0.05590000 {++} 0.00000000 0 0 0 {?} >>{81.n} 127.27877045 0.36719999 0.53385001 {++} 0.00000000 0 0 0 {?} >> 11 4.115 4.115 0.000 0 2 {?} >>{127.hn} 9.68822002 0.04102000 0.07309000 {++} 0.00000000 0 0 0 {?} >>{127.n} 124.28058624 0.30274001 0.47290999 {++} 0.00000000 0 0 0 {?} >> 12 4.371 0.000 0.000 0 2 {?} >>{?} 9.66086006 0.03820000 0.06427000 {++} 0.00000000 0 0 0 {?} >>{?} 128.88687134 0.30871001 0.47821000 {++} 0.00000000 0 0 0 {?} >> 13 3.792 3.792 0.000 0 2 {?} >>{128.hn} 9.57207966 0.02597000 0.04820000 {++} 0.00000000 0 0 0 {?} >>{128.n} 123.96166992 0.32493001 0.50869000 {++} 0.00000000 0 0 0 {?} >> 14 3.347 3.347 0.000 0 2 {?} >>{68.hn} 9.57003975 0.03323000 0.06046000 {++} 0.00000000 0 0 0 {?} >>{68.n} 107.26703644 0.30678001 0.45462000 {++} 0.00000000 0 0 0 {?} >> 15 4.962 4.962 0.000 0 2 {?} >>{23.hn} 9.51471996 0.02977000 0.05406000 {++} 0.00000000 0 0 0 {?} >>{23.n} 122.59031677 0.33377999 0.52140999 {++} 0.00000000 0 0 0 {?} >> 16 2.912 2.912 0.000 0 2 {?} >>{105.hn} 9.47432995 0.03214000 0.05086000 {++} 0.00000000 0 0 0 {?} >>{105.n} 119.18424225 0.37169001 0.52471000 {++} 0.00000000 0 0 0 {?} >> 17 0.620 0.620 0.000 0 2 {?} >>{92.hn} 9.35758018 0.00015000 0.00015000 {NN} 0.00000000 0 0 0 {?} >>{92.n} 117.38408661 0.00127000 0.00126000 {NN} 0.00000000 0 0 0 {?} >> 18 6.466 6.466 0.000 0 2 {?} >>{118.hn} 9.31912041 0.03339000 0.05695000 {++} 0.00000000 0 0 0 {?} >>{118.n} 122.29342651 0.33636999 0.53961003 {++} 0.00000000 0 0 0 {?} >> 19 4.261 4.261 0.000 0 2 {?} >>{70.hn} 9.30665970 0.03852000 0.06355000 {++} 0.00000000 0 0 0 {?} >>{70.n} 120.32386017 0.31884000 0.50962001 {++} 0.00000000 0 0 0 {?} >> 20 4.030 4.030 0.000 0 2 {?} >>{22.hn} 9.23128033 0.02848000 0.05268000 {++} 0.00000000 0 0 0 {?} >>{22.n} 126.13751221 0.31075999 0.47947001 {++} 0.00000000 0 0 0 {?} >> 21 4.558 4.558 0.000 0 2 {?} >>{41.hn} 9.22552967 0.03591000 0.06015000 {++} 0.00000000 0 0 0 {?} >>{41.n} 122.87457275 0.31358001 0.50125003 {++} 0.00000000 0 0 0 {?} >> 22 4.238 4.238 0.000 0 2 {?} >>{80.hn} 9.19110012 0.02633000 0.04987000 {++} 0.00000000 0 0 0 {?} >>{80.n} 124.47899628 0.32291999 0.50771999 {++} 0.00000000 0 0 0 {?} >> 23 4.710 4.710 0.000 0 2 {?} >>{119.hn} 9.08745003 0.03428000 0.05526000 {++} 0.00000000 0 0 0 {?} >>{119.n} 122.94628906 0.31703001 0.51450998 {++} 0.00000000 0 0 0 {?} >> 24 3.736 3.736 0.000 0 2 {?} >>{115.hn} 9.00977993 0.03384000 0.05446000 {++} 0.00000000 0 0 0 {?} >>{115.n} 114.46308899 0.31613001 0.48543000 {++} 0.00000000 0 0 0 {?} >> 25 2.482 2.482 0.000 0 2 {?} >>{116.hn} 8.99246979 0.04500000 0.06814000 {++} 0.00000000 0 0 0 {?} >>{116.n} 119.21627808 0.32157999 0.45065001 {++} 0.00000000 0 0 0 {?} >> 26 2.743 2.743 0.000 0 2 {?} >>{104.hn} 8.94462013 0.03204000 0.05025000 {++} 0.00000000 0 0 0 {?} >>{104.n} 115.37536621 0.32609001 0.45906001 {++} 0.00000000 0 0 0 {?} >> 27 4.911 4.911 0.000 0 2 {?} >>{6.hn} 8.94159985 0.03205000 0.06960000 {P+} 0.00000000 0 0 0 {?} >>{6.n} 112.66989899 0.33834001 0.53364003 {++} 0.00000000 0 0 0 {?} >> 28 3.589 3.589 0.000 0 2 {?} >>{86.hn} 8.92702961 0.03774000 0.06328000 {++} 0.00000000 0 0 0 {?} >>{86.n} 126.47408295 0.34966001 0.53376001 {++} 0.00000000 0 0 0 {?} >> 29 6.018 6.018 0.000 0 2 {?} >>{26.hn} 8.92525959 0.03591000 0.06342000 {++} 0.00000000 0 0 0 {?} >>{26.n} 122.43505859 0.32765999 0.53724003 {++} 0.00000000 0 0 0 {?} >> 30 4.657 4.657 0.000 0 2 {?} >>{79.hn} 8.93155956 0.02575000 0.05054000 {++} 0.00000000 0 0 0 {?} >>{79.n} 116.55294037 0.30404001 0.50095999 {++} 0.00000000 0 0 0 {?} >> 31 8.680 8.680 0.000 0 2 {?} >>{123.hn} 8.90124035 0.03328000 0.07356000 {++} 0.00000000 0 0 0 {?} >>{123.n} 121.48491669 0.35896000 0.59154999 {++} 0.00000000 0 0 0 {?} >> 32 5.480 5.480 0.000 0 2 {?} >>{31.hn} 8.87271023 0.03103000 0.05288000 {++} 0.00000000 0 0 0 {?} >>{31.n} 118.28855896 0.35156000 0.56098998 {++} 0.00000000 0 0 0 {?} >> 33 5.177 5.177 0.000 0 2 {?} >>{50.hn} 8.87687016 0.02647000 0.05215000 {+P} 0.00000000 0 0 0 {?} >>{50.n} 112.67620850 0.33194000 0.53685999 {++} 0.00000000 0 0 0 {?} >> 34 2.262 2.262 0.000 0 2 {?} >>{87.hn} 8.86124992 0.03871000 0.05412000 {++} 0.00000000 0 0 0 {?} >>{87.n} 131.54736328 0.30520999 0.41211000 {++} 0.00000000 0 0 0 {?} >> 35 4.400 4.400 0.000 0 2 {?} >>{11.hn} 8.85379982 0.03318000 0.06244000 {++} 0.00000000 0 0 0 {?} >>{11.n} 129.21949768 0.35303000 0.56389999 {++} 0.00000000 0 0 0 {?} >> 36 5.202 5.202 0.000 0 2 {?} >>{130.hn} 8.86172962 0.02796000 0.05243000 {++} 0.00000000 0 0 0 {?} >>{130.n} 124.20390320 0.30507001 0.49595001 {++} 0.00000000 0 0 0 {?} >> 37 5.875 5.875 0.000 0 2 {?} >>{73.hn} 8.83843994 0.02736000 0.05238000 {++} 0.00000000 0 0 0 {?} >>{73.n} 116.17131805 0.30772001 0.51154000 {++} 0.00000000 0 0 0 {?} >> 38 1.513 1.513 0.000 0 2 {?} >>{110.hn} 8.76556969 0.03608000 0.04183000 {++} 0.00000000 0 0 0 {?} >>{110.n} 124.42407990 0.51084000 0.58113998 {++} 0.00000000 0 0 0 {?} >> 39 4.394 4.394 0.000 0 2 {?} >>{106.hn} 8.73484993 0.03611000 0.05755000 {++} 0.00000000 0 0 0 {?} >>{106.n} 118.33637238 0.31371000 0.50753999 {++} 0.00000000 0 0 0 {?} >> 40 4.663 4.663 0.000 0 2 {?} >>{53.hn} 8.71644020 0.03125000 0.05733000 {++} 0.00000000 0 0 0 {?} >>{53.n} 122.95744324 0.32528999 0.50847000 {++} 0.00000000 0 0 0 {?} >> 41 0.790 0.000 0.000 0 2 {?} >>{?} 8.63728046 0.02917000 0.02917000 {++} 0.00000000 0 0 0 {?} >>{?} 120.38593292 0.24229001 0.24228001 {++} 0.00000000 0 0 0 {?} >> 42 5.300 5.300 0.000 0 2 {?} >>{99.hn} 8.69369984 0.03693000 0.06223000 {++} 0.00000000 0 0 0 {?} >>{99.n} 119.18366241 0.37474999 0.58937001 {++} 0.00000000 0 0 0 {?} >> 43 3.440 3.440 0.000 0 2 {?} >>{62.hn} 8.68554974 0.04802000 0.07728000 {++} 0.00000000 0 0 0 {?} >>{62.n} 114.29900360 0.35624000 0.52623999 {++} 0.00000000 0 0 0 {?} >> 44 3.928 3.928 0.000 0 2 {?} >>{14.hn} 8.65734959 0.03176000 0.05406000 {++} 0.00000000 0 0 0 {?} >>{14.n} 116.05055237 0.33274001 0.51853001 {++} 0.00000000 0 0 0 {?} >> 45 11.464 11.464 0.000 0 2 {?} >>{85.hn} 8.57497025 0.02742000 0.06881000 {++} 0.00000000 0 0 0 {?} >>{85.n} 120.06310272 0.36214000 0.62229002 {++} 0.00000000 0 0 0 {?} >> 46 5.717 5.717 0.000 0 2 {?} >>{122.hn} 8.56332970 0.02444000 0.04841000 {++} 0.00000000 0 0 0 {?} >>{122.n} 122.81716156 0.34619999 0.54712999 {++} 0.00000000 0 0 0 {?} >> 47 3.554 3.554 0.000 0 2 {?} >>{44.hn} 8.56091022 0.03728000 0.07362000 {++} 0.00000000 0 0 0 {?} >>{44.n} 120.94872284 0.36216000 0.54232001 {++} 0.00000000 0 0 0 {?} >> 48 6.340 6.340 0.000 0 2 {?} >>{120.hn} 8.55393982 0.02813000 0.05229000 {++} 0.00000000 0 0 0 {?} >>{120.n} 114.87780762 0.35769999 0.57709998 {++} 0.00000000 0 0 0 {?} >> 49 5.161 5.161 0.000 0 2 {?} >>{27.hn} 8.54965973 0.02614000 0.05278000 {++} 0.00000000 0 0 0 {?} >>{27.n} 126.22457886 0.33618000 0.53008002 {++} 0.00000000 0 0 0 {?} >> 50 4.836 4.836 0.000 0 2 {?} >>{88.hn} 8.52492046 0.02531000 0.04655000 {++} 0.00000000 0 0 0 {?} >>{88.n} 123.40870667 0.35352999 0.54759997 {++} 0.00000000 0 0 0 {?} >> 51 3.657 3.657 0.000 0 2 {?} >>{61.hn} 8.52775002 0.03222000 0.05199000 {++} 0.00000000 0 0 0 {?} >>{61.n} 116.90406036 0.40098000 0.64010000 {++} 0.00000000 0 0 0 {?} >> 52 3.174 3.174 0.000 0 2 {?} >>{16.hn} 8.53034019 0.04022000 0.06352000 {++} 0.00000000 0 0 0 {?} >>{16.n} 112.84618378 0.32462001 0.49699000 {++} 0.00000000 0 0 0 {?} >> 53 0.700 0.000 0.000 0 2 {?} >>{?} 8.50697041 0.02057000 0.02057000 {+P} 0.00000000 0 0 0 {?} >>{?} 120.83286285 0.18042000 0.18043000 {++} 0.00000000 0 0 0 {?} >> 54 4.907 4.907 0.000 0 2 {?} >>{102.hn} 8.47752953 0.03317000 0.05446000 {++} 0.00000000 0 0 0 {?} >>{102.n} 119.08548737 0.31158999 0.50669998 {++} 0.00000000 0 0 0 {?} >> 55 5.801 5.801 0.000 0 2 {?} >>{37.hn} 8.47807980 0.03095000 0.05323000 {++} 0.00000000 0 0 0 {?} >>{37.n} 107.17466736 0.34172001 0.53821999 {++} 0.00000000 0 0 0 {?} >> 56 4.688 4.688 0.000 0 2 {?} >>{7.hn} 8.45903015 0.02795000 0.05157000 {++} 0.00000000 0 0 0 {?} >>{7.n} 122.68466187 0.35030001 0.54763001 {++} 0.00000000 0 0 0 {?} >> 57 4.028 4.028 0.000 0 2 {?} >>{10.hn} 8.45106983 0.02599000 0.04268000 {++} 0.00000000 0 0 0 {?} >>{10.n} 123.97802734 0.32675001 1.11327004 {P+} 0.00000000 0 0 0 {?} >> 58 6.011 6.011 0.000 0 2 {?} >>{?} 8.44324017 0.03212000 0.05747000 {++} 0.00000000 0 0 0 {?} >>{?} 110.84970856 0.31516001 0.52969998 {++} 0.00000000 0 0 0 {?} >> 59 6.903 6.903 0.000 0 2 {?} >>{3.hn} 8.43231010 0.03129000 0.05713000 {++} 0.00000000 0 0 0 {?} >>{3.n} 117.45841217 0.32172000 0.53641999 {++} 0.00000000 0 0 0 {?} >> 60 4.358 4.358 0.000 0 2 {?} >>{107.hn} 8.42374992 0.03121000 0.05313000 {++} 0.00000000 0 0 0 {?} >>{107.n} 123.63417816 0.34773999 0.52847999 {P+} 0.00000000 0 0 0 {?} >> 61 7.341 7.341 0.000 0 2 {?} >>{96.hn} 8.42539024 0.02493000 0.05153000 {++} 0.00000000 0 0 0 {?} >>{96.n} 123.12751770 0.36273000 0.59812999 {+P} 0.00000000 0 0 0 {?} >> 62 5.880 5.880 0.000 0 2 {?} >>{63.hn} 8.42525959 0.02657000 0.05116000 {++} 0.00000000 0 0 0 {?} >>{63.n} 121.72847748 0.34551001 0.58778000 {++} 0.00000000 0 0 0 {?} >> 63 4.685 4.685 0.000 0 2 {?} >>{9.hn} 8.40639973 0.03475000 0.09534000 {P+} 0.00000000 0 0 0 {?} >>{9.n} 127.88049316 0.35148001 0.55984002 {++} 0.00000000 0 0 0 {?} >> 64 6.559 6.559 0.000 0 2 {?} >>{21.hn} 8.40054989 0.02473000 0.05149000 {++} 0.00000000 0 0 0 {?} >>{21.n} 120.24398041 0.33491999 0.55605000 {++} 0.00000000 0 0 0 {?} >> 65 8.262 8.262 0.000 0 2 {?} >>{98.hn} 8.39338017 0.03323000 0.05843000 {++} 0.00000000 0 0 0 {?} >>{98.n} 108.44767761 0.31895000 0.53691000 {++} 0.00000000 0 0 0 {?} >> 66 3.674 3.674 0.000 0 2 {?} >>{113.hn} 8.37771988 0.03023000 0.04964000 {++} 0.00000000 0 0 0 {?} >>{113.n} 118.62214661 0.37955999 0.62643999 {P+} 0.00000000 0 0 0 {?} >> 67 4.987 4.987 0.000 0 2 {?} >>{90.hn} 8.37639046 0.02863000 0.05087000 {++} 0.00000000 0 0 0 {?} >>{90.n} 118.02803802 0.31555000 0.51806003 {+P} 0.00000000 0 0 0 {?} >> 68 3.852 3.852 0.000 0 2 {?} >>{17.hn} 8.33646965 0.03508000 0.06810000 {+P} 0.00000000 0 0 0 {?} >>{17.n} 127.73370361 0.34709999 0.53301001 {++} 0.00000000 0 0 0 {?} >> 69 6.376 6.376 0.000 0 2 {?} >>{121.hn} 8.33689976 0.03142000 0.06134000 {++} 0.00000000 0 0 0 {?} >>{121.n} 123.94425201 0.34724000 0.55888999 {++} 0.00000000 0 0 0 {?} >> 70 3.906 3.906 0.000 0 2 {?} >>{49.hn} 8.32343006 0.03696000 0.06546000 {++} 0.00000000 0 0 0 {?} >>{49.n} 120.84480286 0.32969001 0.51823997 {++} 0.00000000 0 0 0 {?} >> 71 2.776 2.776 0.000 0 2 {?} >>{18.hn} 8.29333973 0.03192000 0.05038000 {++} 0.00000000 0 0 0 {?} >>{18.n} 128.52061462 0.32376999 0.45353001 {++} 0.00000000 0 0 0 {?} >> 72 4.179 4.179 0.000 0 2 {?} >>{32.he21} 8.29644966 0.03511000 0.06060000 {++} 0.00000000 0 0 0 {?} >>{32.ne} 112.65647125 0.36357000 0.55001998 {++} 0.00000000 0 0 0 {?} >> 73 1.252 1.252 0.000 0 2 {?} >>{93.hn} 8.29444981 0.04895000 0.04940000 {++} 0.00000000 0 0 0 {?} >>{93.n} 110.43961334 0.35892999 0.36153999 {++} 0.00000000 0 0 0 {?} >> 74 9.297 9.297 0.000 0 2 {?} >>{97.hn} 8.26809978 0.02602000 0.05117000 {++} 0.00000000 0 0 0 {?} >>{97.n} 109.27584076 0.29067999 0.51084000 {++} 0.00000000 0 0 0 {?} >> 75 6.256 6.256 0.000 0 2 {?} >>{84.hn} 8.25685978 0.03394000 0.05941000 {++} 0.00000000 0 0 0 {?} >>{84.n} 124.92072296 0.32295001 0.54145998 {++} 0.00000000 0 0 0 {?} >> 76 3.337 3.337 0.000 0 2 {?} >>{67.hn} 8.25753975 0.04025000 0.06167000 {++} 0.00000000 0 0 0 {?} >>{67.n} 111.18984985 0.33532000 0.49434999 {++} 0.00000000 0 0 0 {?} >> 77 4.323 4.323 0.000 0 2 {?} >>{103.hn} 8.23915005 0.03060000 0.06148000 {++} 0.00000000 0 0 0 {?} >>{103.n} 123.43029785 0.35289001 0.55575001 {++} 0.00000000 0 0 0 {?} >> 78 9.402 9.402 0.000 0 2 {?} >>{95.hn} 8.25129986 0.02373000 0.05178000 {++} 0.00000000 0 0 0 {?} >>{95.n} 116.66364288 0.38047001 0.66279000 {++} 0.00000000 0 0 0 {?} >> 79 5.828 5.828 0.000 0 2 {?} >>{36.hn} 8.24242020 0.03146000 0.05413000 {++} 0.00000000 0 0 0 {?} >>{36.n} 114.35220337 0.34296000 0.55087000 {++} 0.00000000 0 0 0 {?} >> 80 4.552 4.552 0.000 0 2 {?} >>{82.hn} 8.22436047 0.02685000 0.05118000 {++} 0.00000000 0 0 0 {?} >>{82.n} 119.22351074 0.30199999 0.49836001 {++} 0.00000000 0 0 0 {?} >> 81 5.728 5.728 0.000 0 2 {?} >>{32.hn} 8.21860027 0.03337000 0.05689000 {++} 0.00000000 0 0 0 {?} >>{32.n} 116.35923767 0.35128999 0.55596000 {++} 0.00000000 0 0 0 {?} >> 82 3.940 3.940 0.000 0 2 {?} >>{60.hn} 8.19425011 0.02615000 0.04705000 {++} 0.00000000 0 0 0 {?} >>{60.n} 115.45477295 0.35578001 0.55607003 {++} 0.00000000 0 0 0 {?} >> 83 4.063 4.063 0.000 0 2 {?} >>{101.hn} 8.16740036 0.03040000 0.05354000 {++} 0.00000000 0 0 0 {?} >>{101.n} 117.57997131 0.31764999 0.50489998 {++} 0.00000000 0 0 0 {?} >> 84 5.374 5.374 0.000 0 2 {?} >>{94.hn} 8.15120983 0.03088000 0.05255000 {++} 0.00000000 0 0 0 {?} >>{94.n} 121.00681305 0.31602001 0.96483999 {P+} 0.00000000 0 0 0 {?} >> 85 1.287 0.000 0.000 0 2 {?} >>{?} 8.14962959 0.04950000 0.05094000 {++} 0.00000000 0 0 0 {?} >>{?} 120.44609833 0.29491001 0.30217001 {+P} 0.00000000 0 0 0 {?} >> 86 6.588 6.588 0.000 0 2 {?} >>{47.hn} 8.14540958 0.02882000 0.05408000 {++} 0.00000000 0 0 0 {?} >>{47.n} 119.47791290 0.34330001 0.55298001 {++} 0.00000000 0 0 0 {?} >> 87 3.812 3.812 0.000 0 2 {?} >>{125.hn} 8.15330029 0.03052000 0.05226000 {++} 0.00000000 0 0 0 {?} >>{125.n} 111.22820282 0.33517000 0.51786000 {++} 0.00000000 0 0 0 {?} >> 88 5.037 5.037 0.000 0 2 {?} >>{52.hn} 8.13006973 0.02860000 0.05394000 {++} 0.00000000 0 0 0 {?} >>{52.n} 122.41191864 0.30627999 0.50278002 {++} 0.00000000 0 0 0 {?} >> 89 4.411 4.411 0.000 0 2 {?} >>{39.hn} 8.13879013 0.03012000 0.05234000 {++} 0.00000000 0 0 0 {?} >>{39.n} 113.67507172 0.32392001 0.51520997 {++} 0.00000000 0 0 0 {?} >> 90 6.474 6.474 0.000 0 2 {?} >>{30.hn} 8.08959007 0.02595000 0.05063000 {++} 0.00000000 0 0 0 {?} >>{30.n} 121.81076813 0.32076001 0.54876000 {++} 0.00000000 0 0 0 {?} >> 91 1.985 1.985 0.000 0 2 {?} >>{59.hn} 8.08353996 0.03868000 0.05041000 {++} 0.00000000 0 0 0 {?} >>{59.n} 117.96663666 0.27998000 0.36399999 {++} 0.00000000 0 0 0 {?} >> 92 5.103 5.103 0.000 0 2 {?} >>{83.hn} 8.06632996 0.03495000 0.05899000 {++} 0.00000000 0 0 0 {?} >>{83.n} 107.83188629 0.35574001 0.54294997 {++} 0.00000000 0 0 0 {?} >> 93 3.475 3.475 0.000 0 2 {?} >>{57.hn} 8.05741024 0.03264000 0.05339000 {++} 0.00000000 0 0 0 {?} >>{57.n} 113.85253143 0.35843000 0.53140998 {++} 0.00000000 0 0 0 {?} >> 94 2.513 2.513 0.000 0 2 {?} >>{91.hn} 7.98311996 0.04159000 0.06410000 {++} 0.00000000 0 0 0 {?} >>{91.n} 123.17247772 0.32313001 0.44587001 {++} 0.00000000 0 0 0 {?} >> 95 6.273 6.273 0.000 0 2 {?} >>{75.hn} 7.97279978 0.03542000 0.06385000 {++} 0.00000000 0 0 0 {?} >>{75.n} 118.14244843 0.34729999 0.55479002 {++} 0.00000000 0 0 0 {?} >> 96 7.107 7.107 0.000 0 2 {?} >>{2.hn} 7.94021988 0.02601000 0.05188000 {++} 0.00000000 0 0 0 {?} >>{2.n} 115.29295349 0.30059001 0.52825999 {++} 0.00000000 0 0 0 {?} >> 97 3.727 3.727 0.000 0 2 {?} >>{19.hn} 7.88533020 0.03165000 0.05563000 {++} 0.00000000 0 0 0 {?} >>{19.n} 126.33120728 0.34757000 0.54372001 {++} 0.00000000 0 0 0 {?} >> 98 2.588 0.000 0.000 0 2 {?} >>{?} 7.87925005 0.03017000 0.04547000 {++} 0.00000000 0 0 0 {?} >>{?} 123.84864807 0.35385999 0.50383002 {++} 0.00000000 0 0 0 {?} >> 99 5.450 5.450 0.000 0 2 {?} >>{33.hn} 7.86999989 0.02392000 0.04860000 {++} 0.00000000 0 0 0 {?} >>{33.n} 116.66506958 0.37018999 0.57752001 {++} 0.00000000 0 0 0 {?} >> 100 4.925 4.925 0.000 0 2 {?} >>{48.hn} 7.81500006 0.02455000 0.04840000 {++} 0.00000000 0 0 0 {?} >>{48.n} 122.76174164 0.35128999 0.57163000 {++} 0.00000000 0 0 0 {?} >> 101 3.674 3.674 0.000 0 2 {?} >>{71.hn} 7.75289011 0.03592000 0.05487000 {++} 0.00000000 0 0 0 {?} >>{71.n} 118.63371277 0.28996000 0.44132999 {++} 0.00000000 0 0 0 {?} >> 102 1.916 1.916 0.000 0 2 {?} >>{112.hn} 7.75785017 0.04133000 0.05591000 {++} 0.00000000 0 0 0 {?} >>{112.n} 115.33421326 0.36849001 0.46015000 {++} 0.00000000 0 0 0 {?} >> 103 1.377 1.377 0.000 0 2 {?} >>{111.hn} 7.75264978 0.04707000 0.05076000 {++} 0.00000000 0 0 0 {?} >>{111.n} 108.64698792 0.43048000 0.46004000 {++} 0.00000000 0 0 0 {?} >> 104 6.161 6.161 0.000 0 2 {?} >>{51.hn} 7.74340010 0.02958000 0.05315000 {++} 0.00000000 0 0 0 {?} >>{51.n} 119.88942719 0.31420001 0.53807002 {++} 0.00000000 0 0 0 {?} >> 105 1.285 1.285 0.000 0 2 {?} >>{114.hn} 7.73915005 0.05123000 0.05260000 {++} 0.00000000 0 0 0 {?} >>{114.n} 116.90912628 0.34906000 0.35879001 {++} 0.00000000 0 0 0 {?} >> 106 3.684 3.684 0.000 0 2 {?} >>{126.hn} 7.72045994 0.03110000 0.05456000 {++} 0.00000000 0 0 0 {?} >>{126.n} 121.52570343 0.29973000 0.46348000 {++} 0.00000000 0 0 0 {?} >> 107 7.678 7.678 0.000 0 2 {?} >>{99.hd21} 7.72806978 0.03269000 0.06810000 {P+} 0.00000000 0 0 0 {?} >>{99.nd2} 112.42622375 0.33733001 0.55686998 {++} 0.00000000 0 0 0 {?} >> 108 5.139 5.139 0.000 0 2 {?} >>{35.hn} 7.68176985 0.02753000 0.05090000 {++} 0.00000000 0 0 0 {?} >>{35.n} 106.76280975 0.30531999 0.51186001 {++} 0.00000000 0 0 0 {?} >> 109 3.530 3.530 0.000 0 2 {?} >>{24.hn} 7.67336988 0.03990000 0.07977000 {++} 0.00000000 0 0 0 {?} >>{24.n} 118.32753754 0.33447000 0.62888998 {++} 0.00000000 0 0 0 {?} >> 110 6.140 6.140 0.000 0 2 {?} >>{120.hd21} 7.67301989 0.03150000 0.05251000 {+P} 0.00000000 0 0 0 {?} >>{120.nd2} 112.33680725 0.30633000 0.51440001 {++} 0.00000000 0 0 0 {?} >> 111 3.147 3.147 0.000 0 2 {?} >>{109.hn} 7.65593004 0.04087000 0.07126000 {++} 0.00000000 0 0 0 {?} >>{109.n} 115.97673798 0.32233000 0.47025001 {++} 0.00000000 0 0 0 {?} >> 112 4.667 4.667 0.000 0 2 {?} >>{34.hn} 7.55835009 0.02681000 0.05074000 {++} 0.00000000 0 0 0 {?} >>{34.n} 120.50007629 0.32078001 0.51036000 {++} 0.00000000 0 0 0 {?} >> 113 5.320 5.320 0.000 0 2 {?} >>{28.hn} 7.53243017 0.03026000 0.05444000 {++} 0.00000000 0 0 0 {?} >>{28.n} 118.41351318 0.30388999 0.50586998 {++} 0.00000000 0 0 0 {?} >> 114 12.552 12.552 0.000 0 2 {?} >>{63.he22} 6.84688997 0.03108000 0.06139000 {++} 0.00000000 0 0 0 {?} >>{63.he2} 112.21515656 0.47374001 0.72952002 {++} 0.00000000 0 0 0 {?} >> 115 2.547 2.547 0.000 0 2 {?} >>{23.hd21} 7.49004984 0.02754000 0.04553000 {++} 0.00000000 0 0 0 {?} >>{23.nd2} 110.45275879 0.31404001 0.43719000 {++} 0.00000000 0 0 0 {?} >> 116 6.560 6.560 0.000 0 2 {?} >>{77.hn} 7.46466017 0.03041000 0.05737000 {++} 0.00000000 0 0 0 {?} >>{77.n} 122.19624329 0.28860000 0.49360001 {++} 0.00000000 0 0 0 {?} >> 117 10.219 10.219 0.000 0 2 {?} >>{45.hn} 7.46564007 0.03317000 0.06452000 {++} 0.00000000 0 0 0 {?} >>{45.n} 111.62364960 0.39146000 0.81639999 {+P} 0.00000000 0 0 0 {?} >> 118 5.913 5.913 0.000 0 2 {?} >>{13.hn} 7.43984985 0.03794000 0.06614000 {++} 0.00000000 0 0 0 {?} >>{13.n} 116.30840302 0.36802000 0.58034003 {++} 0.00000000 0 0 0 {?} >> 119 6.148 6.148 0.000 0 2 {?} >>{38.hn} 7.40814018 0.02509000 0.05155000 {++} 0.00000000 0 0 0 {?} >>{38.n} 121.87648773 0.31542000 0.49515000 {++} 0.00000000 0 0 0 {?} >> 120 5.232 5.232 0.000 0 2 {?} >>{55.hn} 7.41500998 0.03544000 0.06683000 {++} 0.00000000 0 0 0 {?} >>{55.n} 121.07697296 0.29912999 0.49063000 {++} 0.00000000 0 0 0 {?} >> 121 7.833 7.833 0.000 0 2 {?} >>{79.he21} 7.41573000 0.03271000 0.06152000 {++} 0.00000000 0 0 0 {?} >>{79.ne2} 112.63950348 0.29172000 0.50880003 {++} 0.00000000 0 0 0 {?} >> 122 5.537 5.537 0.000 0 2 {?} >>{74.hn} 7.38992023 0.02868000 0.05197000 {++} 0.00000000 0 0 0 {?} >>{74.n} 114.11132050 0.31362000 0.53218001 {++} 0.00000000 0 0 0 {?} >> 123 19.317 19.317 0.000 0 2 {?} >>{77.he1} 7.39208984 0.02215000 0.04926000 {++} 0.00000000 0 0 0 {?} >>{77.ne2} 111.52062988 0.37015000 0.65008003 {++} 0.00000000 0 0 0 {?} >> 124 2.577 0.000 0.000 0 2 {?} >>{?} 7.37181997 0.04038000 0.05911000 {++} 0.00000000 0 0 0 {?} >>{?} 105.88622284 0.34393999 0.48550999 {++} 0.00000000 0 0 0 {?} >> 125 1.248 1.248 0.000 0 2 {?} >>{60.he22} 7.35538006 0.03087000 0.03103000 {++} 0.00000000 0 0 0 {?} >>{60.ne2} 110.75055695 0.33669001 0.33845001 {++} 0.00000000 0 0 0 {?} >> 126 4.089 4.089 0.000 0 2 {?} >>{58.hn} 7.32004976 0.03352000 0.05351000 {++} 0.00000000 0 0 0 {?} >>{58.n} 107.03830719 0.31248000 0.47878000 {++} 0.00000000 0 0 0 {?} >> 127 1.466 1.466 0.000 0 2 {?} >>{89.hn} 7.29715014 0.04233000 0.04736000 {++} 0.00000000 0 0 0 {?} >>{89.n} 121.50028229 0.38371000 0.42697001 {++} 0.00000000 0 0 0 {?} >> 128 6.265 6.265 0.000 0 2 {?} >>{100.hn} 7.26433992 0.03480000 0.06027000 {++} 0.00000000 0 0 0 {?} >>{100.n} 120.66940308 0.35778999 0.56932002 {++} 0.00000000 0 0 0 {?} >> 129 4.514 0.000 0.000 0 2 {?} >>{?} 7.22620010 0.02433000 0.04899000 {++} 0.00000000 0 0 0 {?} >>{?} 123.13594055 0.31507999 0.46441999 {++} 0.00000000 0 0 0 {?} >> 130 2.655 2.655 0.000 0 2 {?} >>{60.he22} 7.20616007 0.03652000 0.05443000 {++} 0.00000000 0 0 0 {?} >>{60.ne2} 110.74545288 0.34659001 0.49728999 {++} 0.00000000 0 0 0 {?} >> 131 3.323 0.000 0.000 0 2 {?} >>{?} 7.17926979 0.02706000 0.06810000 {P+} 0.00000000 0 0 0 {?} >>{?} 122.81266785 0.36070001 0.52706999 {++} 0.00000000 0 0 0 {?} >> 132 3.825 3.825 0.000 0 2 {?} >>{?} 7.16268015 0.02184000 0.04177000 {++} 0.00000000 0 0 0 {?} >>{?} 124.00399017 0.37779000 0.53817999 {++} 0.00000000 0 0 0 {?} >> 133 4.770 4.770 0.000 0 2 {?} >>{69.hn} 7.14453983 0.03043000 0.05265000 {++} 0.00000000 0 0 0 {?} >>{69.n} 126.48293304 0.32347000 0.52525002 {++} 0.00000000 0 0 0 {?} >> 134 4.799 4.799 0.000 0 2 {?} >>{4.hn} 7.13657999 0.02822000 0.05337000 {++} 0.00000000 0 0 0 {?} >>{4.n} 124.50659943 0.31891999 0.96483999 {P+} 0.00000000 0 0 0 {?} >> 135 4.382 4.382 0.000 0 2 {?} >>{78.hn} 7.11497021 0.03613000 0.05854000 {+P} 0.00000000 0 0 0 {?} >>{78.n} 122.91343689 0.32879999 0.51955003 {++} 0.00000000 0 0 0 {?} >> 136 3.678 3.678 0.000 0 2 {?} >>{13.hd21} 7.11266994 0.03716000 0.06193000 {++} 0.00000000 0 0 0 {?} >>{13.nd2} 113.18604279 0.34828001 0.53327000 {++} 0.00000000 0 0 0 {?} >> 137 5.795 5.795 0.000 0 2 {?} >>{120.hd22} 7.00826979 0.03078000 0.05325000 {++} 0.00000000 0 0 0 {?} >>{120.nd2} 112.31098938 0.30987999 0.51069999 {++} 0.00000000 0 0 0 {?} >> 138 4.659 0.000 0.000 0 2 {?} >>{?} 6.98065996 0.02396000 0.04509000 {++} 0.00000000 0 0 0 {?} >>{?} 122.76332092 0.32607001 0.48910999 {++} 0.00000000 0 0 0 {?} >> 139 7.211 7.211 0.000 0 2 {?} >>{20.hn} 6.92047977 0.03036000 0.05508000 {++} 0.00000000 0 0 0 {?} >>{20.n} 119.55486298 0.35073000 0.56594998 {++} 0.00000000 0 0 0 {?} >> 140 10.353 10.353 0.000 0 2 {?} >>{76.he22} 6.90164995 0.05858000 0.10305000 {++} 0.00000000 0 0 0 {?} >>{76.ne2} 112.63950348 0.29699001 0.54161000 {++} 0.00000000 0 0 0 {?} >> 141 4.945 4.945 0.000 0 2 {?} >>{12.hn} 6.89800978 0.03284000 0.05440000 {++} 0.00000000 0 0 0 {?} >>{12.n} 105.90569305 0.35505000 0.54364997 {++} 0.00000000 0 0 0 {?} >> 142 9.348 9.348 0.000 0 2 {?} >>{73.hd22} 6.88484001 0.02688000 0.05012000 {++} 0.00000000 0 0 0 {?} >>{73.ne2} 111.18006897 0.32189000 0.54188001 {++} 0.00000000 0 0 0 {?} >> 143 17.503 17.503 0.000 0 2 {?} >>{63.he21} 7.50013018 0.03619000 0.06962000 {++} 0.00000000 0 0 0 {?} >>{63.ne2} 112.21933746 0.37705001 0.69659001 {++} 0.00000000 0 0 0 {?} >> 144 3.287 0.000 0.000 0 2 {?} >>{?} 6.79500008 0.02914000 0.05102000 {++} 0.00000000 0 0 0 {?} >>{?} 114.23880768 0.33070999 0.50481999 {++} 0.00000000 0 0 0 {?} >> 145 11.877 11.877 0.000 0 2 {?} >>{77.he22} 6.80135012 0.03263000 0.06810000 {P+} 0.00000000 0 0 0 {?} >>{77.ne2} 111.52100372 0.30438000 0.57609999 {++} 0.00000000 0 0 0 {?} >> 146 12.282 12.282 0.000 0 2 {?} >>{123.he22} 6.75463009 0.02512000 0.06810000 {+P} 0.00000000 0 0 0 {?} >>{63.ne2} 111.75553894 0.41433999 0.64655000 {++} 0.00000000 0 0 0 {?} >> 147 2.322 0.000 0.000 0 2 {?} >>{?} 6.74678993 0.03584000 0.04935000 {++} 0.00000000 0 0 0 {?} >>{?} 121.49088287 0.35811001 0.46380001 {++} 0.00000000 0 0 0 {?} >> 148 3.974 3.974 0.000 0 2 {?} >>{42.hn} 6.74376011 0.03824000 0.07006000 {++} 0.00000000 0 0 0 {?} >>{42.n} 113.46991730 0.37478000 0.54895997 {++} 0.00000000 0 0 0 {?} >> 149 5.874 5.874 0.000 0 2 {?} >>{32.he22} 6.71391010 0.03360000 0.05771000 {++} 0.00000000 0 0 0 {?} >>{32.ne2} 112.64943695 0.47103000 0.70818001 {++} 0.00000000 0 0 0 {?} >> 150 6.033 6.033 0.000 0 2 {?} >>{36.hd22} 6.70543003 0.04075000 0.07402000 {++} 0.00000000 0 0 0 {?} >>{36.nd2} 112.43488312 0.46313000 0.72485000 {++} 0.00000000 0 0 0 {?} >> 151 3.100 3.100 0.000 0 2 {?} >>{23.hd22} 6.68278980 0.02922000 0.04799000 {++} 0.00000000 0 0 0 {?} >>{23.nd2} 110.44435120 0.34547001 0.51762998 {++} 0.00000000 0 0 0 {?} >> 152 4.473 4.473 0.000 0 2 {?} >>{13.hd22} 6.57031012 0.03516000 0.05644000 {++} 0.00000000 0 0 0 {?} >>{13.nd2} 113.18820190 0.35157001 0.56444001 {++} 0.00000000 0 0 0 {?} >> 153 7.613 7.613 0.000 0 2 {?} >>{108.hd22} 6.55825996 0.02967000 0.05346000 {++} 0.00000000 0 0 0 {?} >>{108.nd2} 111.52306366 0.30994999 0.53024000 {++} 0.00000000 0 0 0 {?} >> 154 4.911 4.911 0.000 0 2 {?} >>{36.hd21} 6.50427008 0.03210000 0.05470000 {++} 0.00000000 0 0 0 {?} >>{36.nd2} 112.35740662 0.35227001 0.55254000 {++} 0.00000000 0 0 0 {?} >> 155 0.996 0.000 0.000 0 2 {?} >>{?} 6.35193014 0.04272000 0.03492000 {++} 0.00000000 0 0 0 {?} >>{?} 122.52085114 0.37555000 0.31421000 {++} 0.00000000 0 0 0 {?} >> 156 1.049 1.049 0.000 0 2 {?} >>{43.hn} 5.24005985 0.02260000 0.02260000 {++} 0.00000000 0 0 0 {?} >>{43.n} 121.06342316 0.34766999 0.30195999 {++} 0.00000000 0 0 0 {?} >> 157 0.400 0.000 0.000 0 2 {?} >>{?} 6.37304020 0.03762000 0.03652000 {++} 0.00000000 0 0 0 {?} >>{?} 109.73033142 0.39886999 0.39138001 {++} 0.00000000 0 0 0 {?} >> 158 0.388 0.388 0.000 0 2 {?} >>{65.hn} 7.84636021 0.03322000 0.03246000 {++} 0.00000000 0 0 0 {?} >>{65.n} 114.33970642 0.31775999 0.31051001 {++} 0.00000000 0 0 0 {?} >> 159 0.455 0.455 0.000 0 2 {?} >>{?} 7.93442011 0.04169000 0.04468000 {++} 0.00000000 0 0 0 {?} >>{?} 121.15580750 0.37134999 0.40263000 {++} 0.00000000 0 0 0 {?} >> 160 0.347 0.000 0.000 0 2 {?} >>{?} 8.03316975 0.03656000 0.02734000 {++} 0.00000000 0 0 0 {?} >>{?} 120.43150330 0.26232001 0.26233000 {++} 0.00000000 0 0 0 {?} >> 161 0.312 0.000 0.000 0 2 {?} >>{?} 8.64840031 0.07896000 0.06020000 {++} 0.00000000 0 0 0 {?} >>{?} 124.21547699 0.40902001 0.33037999 {++} 0.00000000 0 0 0 {?} >> 162 0.282 0.000 0.000 0 2 {?} >>{?} 7.05433989 0.02721000 0.02011000 {++} 0.00000000 0 0 0 {?} >>{?} 121.87567902 0.24888000 0.24889000 {++} 0.00000000 0 0 0 {?} >> 163 0.747 0.000 0.000 0 2 {?} >>{?} 8.71494007 0.02742000 0.07883000 {++} 0.00000000 0 0 0 {?} >>{?} 120.61512756 0.36214000 0.65666997 {++} 0.00000000 0 0 0 {?} >> 164 0.470 0.000 0.000 0 2 {?} >>{?} 8.34619045 0.02818000 0.03158000 {++} 0.00000000 0 0 0 {?} >>{?} 109.59014893 0.25567001 0.27943999 {++} 0.00000000 0 0 0 {?} >> 165 0.343 0.000 0.000 0 2 {?} >>{?} 8.23005009 0.03215000 0.03385000 {++} 0.00000000 0 0 0 {?} >>{?} 108.60015106 0.38672999 0.41723001 {++} 0.00000000 0 0 0 {?} >> 166 0.470 0.000 0.000 0 2 {?} >>{?} 10.12570953 0.05787000 0.06229000 {++} 0.00000000 0 0 0 {?} >>{?} 129.49816895 0.35784999 0.38580000 {++} 0.00000000 0 0 0 {?} >> 167 0.321 0.000 0.000 0 2 {?} >>{?} 10.07155037 0.04416000 0.04416000 {++} 0.00000000 0 0 0 {?} >>{?} 129.28332520 0.28173000 0.28173000 {++} 0.00000000 0 0 0 {?} >> 168 1.190 1.190 0.000 0 2 {?} >>{117.hn} 9.78446007 0.04663000 0.07769000 {++} 0.00000000 0 0 0 {?} >>{117.n} 120.37341309 0.38011000 0.65096003 {++} 0.00000000 0 0 0 {?} >> 169 5.168 5.168 0.000 0 2 {?} >>{129.hn} 8.90065002 0.03328000 0.08048000 {++} 0.00000000 0 0 0 {?} >>{129.n} 121.47836304 0.35896000 0.63611001 {++} 0.00000000 0 0 0 {?} >> 170 5.845 5.845 0.000 0 2 {?} >>{25.hn} 8.45040989 0.03212000 0.07222000 {++} 0.00000000 0 0 0 {?} >>{25.n} 110.84842682 0.31516001 0.57493001 {++} 0.00000000 0 0 0 {?} >> 171 3.530 3.530 0.000 0 2 {?} >>{29.hn} 7.63825989 0.03990000 0.07977000 {++} 0.00000000 0 0 0 {?} >>{29.n} 118.46843719 0.33447000 0.62888998 {++} 0.00000000 0 0 0 {?} >> 172 9.359 9.359 0.000 0 2 {?} >>{54.hn} 7.67806005 0.03990000 0.07977000 {++} 0.00000000 0 0 0 {?} >>{54.n} 118.36184692 0.33447000 0.62888998 {++} 0.00000000 0 0 0 {?} >> 173 5.179 5.179 0.000 1 2 {?} >>{?} 8.64270020 0.02742000 0.07883000 {++} 0.00000000 0 0 0 {?} >>{?} 120.43331909 0.36214000 0.65666997 {++} 0.00000000 0 0 0 {?} >> 174 8.802 8.802 0.000 0 2 {?} >>{73.he21} 7.47113991 0.03317000 0.06905000 {++} 0.00000000 0 0 0 {?} >>{73.ne2} 111.12583923 0.39146000 0.81639999 {+P} 0.00000000 0 0 0 {?} >> 175 6.809 6.809 0.000 0 2 {?} >>{56.hn} 7.67213011 0.03990000 0.07983000 {++} 0.00000000 0 0 0 {?} >>{56.n} 118.34187317 0.33447000 0.62943000 {++} 0.00000000 0 0 0 {?} >> 176 0.229 0.000 0.000 0 2 {?} >>{?} 8.00244999 0.03013000 0.03022000 {++} 0.00000000 0 0 0 {?} >>{?} 105.65287018 0.31272000 0.31347999 {++} 0.00000000 0 0 0 {?} >> 177 0.192 0.000 0.000 0 2 {?} >>{?} 7.26705980 0.04794000 0.03759000 {++} 0.00000000 0 0 0 {?} >>{?} 105.09882355 0.58454001 0.49818000 {++} 0.00000000 0 0 0 {?} >> 178 0.298 0.000 0.000 0 2 {?} >>{?} 7.96154022 0.02162000 0.02619000 {++} 0.00000000 0 0 0 {?} >>{?} 113.99133301 0.38800001 0.44501001 {++} 0.00000000 0 0 0 {?} >> 179 0.181 0.000 0.000 0 2 {?} >>{?} 8.57528019 0.02706000 0.02317000 {++} 0.00000000 0 0 0 {?} >>{?} 116.05236053 0.39989001 0.39989001 {++} 0.00000000 0 0 0 {?} >> 180 0.216 0.000 0.000 0 2 {?} >>{?} 8.75720978 0.04173000 0.04103000 {++} 0.00000000 0 0 0 {?} >>{?} 116.48548126 0.24959999 0.24515000 {++} 0.00000000 0 0 0 {?} >> 181 0.250 0.000 0.000 0 2 {?} >>{?} 7.55211020 0.04086000 0.11067000 {P+} 0.00000000 0 0 0 {?} >>{?} 116.84958649 0.43634999 0.50515002 {++} 0.00000000 0 0 0 {?} >> 182 0.211 0.000 0.000 0 2 {?} >>{?} 7.50744009 0.03794000 0.07655000 {++} 0.00000000 0 0 0 {?} >>{?} 116.78501129 0.36802000 0.65594000 {++} 0.00000000 0 0 0 {?} >> 183 0.275 0.000 0.000 0 2 {?} >>{?} 8.30650997 0.06351000 0.06810000 {+P} 0.00000000 0 0 0 {?} >>{?} 118.54255676 0.42144001 0.48648000 {++} 0.00000000 0 0 0 {?} >> 184 0.236 0.000 0.000 0 2 {?} >>{?} 8.19742966 0.04086000 0.05104000 {P+} 0.00000000 0 0 0 {?} >>{?} 120.43221283 0.22266001 0.67878002 {P+} 0.00000000 0 0 0 {?} >> 185 0.345 0.000 0.000 0 2 {?} >>{?} 6.63029003 0.03261000 0.06810000 {+P} 0.00000000 0 0 0 {?} >>{?} 112.58394623 0.40544000 0.50682002 {++} 0.00000000 0 0 0 {?} >> 186 0.274 0.000 0.000 0 2 {?} >>{?} 8.39288044 0.02881000 0.02963000 {++} 0.00000000 0 0 0 {?} >>{?} 122.37460327 0.32615000 0.33892000 {++} 0.00000000 0 0 0 {?} >> 187 7.341 7.341 0.000 0 2 {?} >>{46.hn} 8.42539024 0.02493000 0.06434000 {++} 0.00000000 0 0 0 {?} >>{46.n} 123.12751770 0.36273000 0.66795999 {+P} 0.00000000 0 0 0 {?} >> 188 7.913 7.913 0.000 0 2 {?} >>{123.he21} 7.15582991 0.03108000 0.06840000 {++} 0.00000000 0 0 0 {?} >>{123.ne2} 112.26952362 0.47374001 0.75097001 {++} 0.00000000 0 0 0 {?} >> 189 5.275 5.275 0.000 0 2 {?} >>{76.he21} 7.50839996 0.03108000 0.06840000 {++} 0.00000000 0 0 0 {?} >>{76.ne2} 112.70957947 0.47374001 0.75097001 {++} 0.00000000 0 0 0 {?} >> 190 3.364 0.000 0.000 0 2 {?} >>{?} 7.48424006 0.03108000 0.06840000 {++} 0.00000000 0 0 0 {?} >>{?} 112.20049286 0.47374001 0.75097001 {++} 0.00000000 0 0 0 {?} >> 191 4.674 4.674 0.000 0 2 {?} >>{99.hd22} 6.93591976 0.05858000 0.10695000 {++} 0.00000000 0 0 0 {?} >>{99.nd2} 112.32850647 0.29699001 0.56408000 {++} 0.00000000 0 0 0 {?} >> 192 4.312 4.312 0.000 0 2 {?} >>{117.hd21} 7.37131023 0.02215000 0.05031000 {++} 0.00000000 0 0 0 {?} >>{117.nd2} 112.07884979 0.37015000 0.66619998 {++} 0.00000000 0 0 0 {?} >> 193 7.136 7.136 0.000 0 2 {?} >>{117.hd22} 6.77057981 0.02512000 0.06810000 {+P} 0.00000000 0 0 0 {?} >>{117.nd2} 112.07717896 0.41433999 0.66509998 {++} 0.00000000 0 0 0 {?} >> 194 8.410 8.410 0.000 0 2 {?} >>{108.hd21} 7.45831013 0.03317000 0.06905000 {++} 0.00000000 0 0 0 {?} >>{108.nd2} 111.51927948 0.39146000 0.81639999 {+P} 0.00000000 0 0 0 {?} >> 195 8.757 8.757 0.000 0 2 {?} >>{79.he22} 6.90766001 0.05858000 0.10802000 {++} 0.00000000 0 0 0 {?} >>{79.ne2} 112.67841339 0.29699001 0.57021999 {++} 0.00000000 0 0 0 {?} >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 2 N 15 NH . 6132.234 . . . 16767 1 >> >> stop_ >> >>save_ >> ; save_