data_6460 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments of a low molecular weight phosphotyrosine phosphatase from Bacillus subtilis ; _BMRB_accession_number 6460 _BMRB_flat_file_name bmr6460.str _Entry_type original _Submission_date 2005-01-14 _Accession_date 2005-01-14 _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 Xu Huimin . . 2 Jin Changwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 785 "13C chemical shifts" 596 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-06-03 original author . stop_ _Original_release_date 2005-06-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: NMR assignments of a low molecular weight protein tyrosine phosphatase (PTPase) from Bacillus subtilis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15929004 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Huimin . . 2 Zhang P. . . 3 Jin Changwen . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 363 _Page_last 363 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_ywlE _Saveframe_category molecular_system _Mol_system_name ywlE _Abbreviation_common ywlE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ywlE monomer' $ywlE_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ywlE_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'low molecular weight phosphotyrosine phosphatase' _Abbreviation_common 'LMW PTPase' _Molecular_mass 16785 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; MDIIFVCTGNTCRSPMAEAL FKSIAEREGLNVNVRSAGVF ASPNGKATPHAVEALFEKHI ALNHVSSPLTEELMESADLV LAMTHQHKQIIASQFGRYRD KVFTLKEYVTGSHGDVLDPF GGSIDIYKQTRDELEELLRQ LAKQLKKDRR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 ILE 4 ILE 5 PHE 6 VAL 7 CYS 8 THR 9 GLY 10 ASN 11 THR 12 CYS 13 ARG 14 SER 15 PRO 16 MET 17 ALA 18 GLU 19 ALA 20 LEU 21 PHE 22 LYS 23 SER 24 ILE 25 ALA 26 GLU 27 ARG 28 GLU 29 GLY 30 LEU 31 ASN 32 VAL 33 ASN 34 VAL 35 ARG 36 SER 37 ALA 38 GLY 39 VAL 40 PHE 41 ALA 42 SER 43 PRO 44 ASN 45 GLY 46 LYS 47 ALA 48 THR 49 PRO 50 HIS 51 ALA 52 VAL 53 GLU 54 ALA 55 LEU 56 PHE 57 GLU 58 LYS 59 HIS 60 ILE 61 ALA 62 LEU 63 ASN 64 HIS 65 VAL 66 SER 67 SER 68 PRO 69 LEU 70 THR 71 GLU 72 GLU 73 LEU 74 MET 75 GLU 76 SER 77 ALA 78 ASP 79 LEU 80 VAL 81 LEU 82 ALA 83 MET 84 THR 85 HIS 86 GLN 87 HIS 88 LYS 89 GLN 90 ILE 91 ILE 92 ALA 93 SER 94 GLN 95 PHE 96 GLY 97 ARG 98 TYR 99 ARG 100 ASP 101 LYS 102 VAL 103 PHE 104 THR 105 LEU 106 LYS 107 GLU 108 TYR 109 VAL 110 THR 111 GLY 112 SER 113 HIS 114 GLY 115 ASP 116 VAL 117 LEU 118 ASP 119 PRO 120 PHE 121 GLY 122 GLY 123 SER 124 ILE 125 ASP 126 ILE 127 TYR 128 LYS 129 GLN 130 THR 131 ARG 132 ASP 133 GLU 134 LEU 135 GLU 136 GLU 137 LEU 138 LEU 139 ARG 140 GLN 141 LEU 142 ALA 143 LYS 144 GLN 145 LEU 146 LYS 147 LYS 148 ASP 149 ARG 150 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1ZGG "Solution Structure Of A Low Molecular Weight Protein Tyrosine Phosphatase From Bacillus Subtilis" 100.00 150 100.00 100.00 1.42e-106 PDB 4ETI "Crystal Structure Of Ywle From Bacillus Subtilis" 100.00 184 100.00 100.00 2.85e-106 PDB 4ETN "Crystal Structure Of Ywle Mutant From Bacillus Subtilis" 100.00 184 99.33 99.33 5.45e-105 PDB 4KK3 "Ywle Arginine Phosphatase - Wildtype" 99.33 151 97.99 97.99 2.41e-102 PDB 4KK4 "Ywle Arginine Phosphatase - C7s Mutant With Phosphorylated Active Site Serine" 100.00 152 99.33 99.33 5.08e-105 DBJ BAI87352 "hypothetical protein BSNT_10347 [Bacillus subtilis subsp. natto BEST195]" 100.00 150 98.67 99.33 3.69e-105 DBJ BAM55776 "protein-tyrosine-phosphatase [Bacillus subtilis BEST7613]" 100.00 150 100.00 100.00 1.42e-106 DBJ BAM59788 "protein-tyrosine-phosphatase [Bacillus subtilis BEST7003]" 100.00 150 100.00 100.00 1.42e-106 DBJ GAK81006 "protein-tyrosine-phosphatase [Bacillus subtilis Miyagi-4]" 100.00 150 98.67 99.33 3.69e-105 EMBL CAA86107 "Unknown [Bacillus subtilis subsp. subtilis str. 168]" 100.00 150 100.00 100.00 1.42e-106 EMBL CAB15710 "protein-tyrosine-phosphatase [Bacillus subtilis subsp. subtilis str. 168]" 100.00 150 100.00 100.00 1.42e-106 EMBL CCU60790 "Low molecular weight protein tyrosine phosphatase [Bacillus subtilis E1]" 100.00 150 98.00 98.67 6.13e-104 EMBL CEI59501 "low molecular weight protein-tyrosine-phosphatase YwlE [Bacillus subtilis]" 100.00 150 100.00 100.00 1.42e-106 EMBL CEJ79358 "low molecular weight protein-tyrosine-phosphatase YwlE [Bacillus sp.]" 100.00 150 100.00 100.00 1.42e-106 GB ADV94503 "protein-tyrosine-phosphatase [Bacillus subtilis BSn5]" 100.00 150 98.00 98.67 6.13e-104 GB AEP92751 "YwlE [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 100.00 150 98.67 98.67 2.56e-104 GB AFQ59544 "Protein-tyrosine-phosphatase [Bacillus subtilis QB928]" 100.00 153 100.00 100.00 1.41e-106 GB AGA21636 "Low molecular weight protein-tyrosine-phosphatase YwlE [Bacillus subtilis subsp. subtilis str. BSP1]" 100.00 150 98.67 99.33 3.69e-105 GB AGE65300 "protein-tyrosine-phosphatase [Bacillus subtilis XF-1]" 100.00 150 98.00 98.67 6.13e-104 PRF 2108403F "ipc-31d gene" 100.00 150 100.00 100.00 1.42e-106 REF NP_391574 "low molecular weight protein-tyrosine-phosphatase YwlE [Bacillus subtilis subsp. subtilis str. 168]" 100.00 150 100.00 100.00 1.42e-106 REF WP_003227664 "protein tyrosine phosphatase [Bacillus subtilis]" 100.00 150 100.00 100.00 1.42e-106 REF WP_014478261 "protein tyrosine phosphatase [Bacillus subtilis]" 100.00 150 98.67 98.67 2.56e-104 REF WP_014481190 "hypothetical protein [Bacillus subtilis]" 100.00 150 98.67 99.33 3.69e-105 REF WP_014906641 "protein tyrosine phosphatase [Bacillus subtilis]" 100.00 153 100.00 100.00 1.41e-106 SP P39155 "RecName: Full=Protein-arginine-phosphatase; Short=PAP; AltName: Full=Phosphoarginine phosphatase [Bacillus subtilis subsp. subt" 100.00 150 100.00 100.00 1.42e-106 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ywlE_monomer 'Bacillus subtilis' 1423 Eubacteria . Bacillus subtilis 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 $ywlE_monomer 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_ywlE _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ywlE_monomer 1 mM 0.5 1.5 '[U-15N; U-13C]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_CCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-COSY _Sample_label . save_ save_CCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-TOCSY _Sample_label . save_ save_15N-edited_TOCSY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY-HSQC' _Sample_label . save_ save_15N-edited_NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HSQC' _Sample_label . save_ save_13C-edited_NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.2 pH temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 internal direct . . . 1.00000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.10132905 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.25144952 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_shift_of_ywlE _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCACB CBCA(CO)NH HNCO HNCA HBHA(CO)NH HCCH-COSY HCCH-TOCSY CCH-COSY CCH-TOCSY '15N-edited TOCSY-HSQC' '15N-edited NOESY-HSQC' '13C-edited NOESY-HSQC' stop_ loop_ _Sample_label $sample_ywlE stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'ywlE monomer' _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 MET CA C 55.470 0.30 1 2 . 1 MET HA H 4.109 0.02 1 3 . 1 MET CB C 34.360 0.30 1 4 . 1 MET HB3 H 2.054 0.02 2 5 . 1 MET HB2 H 2.176 0.02 2 6 . 1 MET CG C 32.190 0.30 1 7 . 1 MET HG3 H 2.483 0.02 2 8 . 1 MET CE C 17.594 0.30 1 9 . 1 MET HE H 2.024 0.02 1 10 . 1 MET C C 172.360 0.30 1 11 . 2 ASP N N 131.230 0.30 1 12 . 2 ASP H H 10.217 0.02 1 13 . 2 ASP CA C 53.790 0.30 1 14 . 2 ASP HA H 5.460 0.02 1 15 . 2 ASP CB C 43.020 0.30 1 16 . 2 ASP HB3 H 2.640 0.02 2 17 . 2 ASP HB2 H 2.561 0.02 2 18 . 2 ASP C C 175.590 0.30 1 19 . 3 ILE N N 125.970 0.30 1 20 . 3 ILE H H 8.838 0.02 1 21 . 3 ILE CA C 59.840 0.30 1 22 . 3 ILE HA H 4.873 0.02 1 23 . 3 ILE CB C 41.860 0.30 1 24 . 3 ILE HB H 1.385 0.02 1 25 . 3 ILE CG1 C 28.090 0.30 2 26 . 3 ILE HG13 H 1.372 0.02 1 27 . 3 ILE HG12 H 0.817 0.02 1 28 . 3 ILE CD1 C 14.680 0.30 1 29 . 3 ILE HD1 H 0.634 0.02 1 30 . 3 ILE CG2 C 16.660 0.30 2 31 . 3 ILE HG2 H 0.037 0.02 1 32 . 3 ILE C C 174.310 0.30 1 33 . 4 ILE N N 124.040 0.30 1 34 . 4 ILE H H 8.012 0.02 1 35 . 4 ILE CA C 58.480 0.30 1 36 . 4 ILE HA H 4.781 0.02 1 37 . 4 ILE CB C 41.060 0.30 1 38 . 4 ILE HB H 1.398 0.02 1 39 . 4 ILE CG1 C 27.310 0.30 2 40 . 4 ILE HG13 H 1.231 0.02 1 41 . 4 ILE CD1 C 14.660 0.30 1 42 . 4 ILE HD1 H 0.488 0.02 1 43 . 4 ILE CG2 C 17.350 0.30 2 44 . 4 ILE HG2 H 0.522 0.02 1 45 . 4 ILE C C 174.660 0.30 1 46 . 5 PHE N N 125.230 0.30 1 47 . 5 PHE H H 8.346 0.02 1 48 . 5 PHE CA C 57.080 0.30 1 49 . 5 PHE HA H 5.515 0.02 1 50 . 5 PHE CB C 42.450 0.30 1 51 . 5 PHE HB3 H 2.720 0.02 2 52 . 5 PHE HD1 H 6.952 0.02 3 53 . 5 PHE HE1 H 7.186 0.02 3 54 . 5 PHE C C 176.190 0.30 1 55 . 6 VAL N N 120.390 0.30 1 56 . 6 VAL H H 8.433 0.02 1 57 . 6 VAL CA C 60.750 0.30 1 58 . 6 VAL HA H 5.582 0.02 1 59 . 6 VAL CB C 36.700 0.30 1 60 . 6 VAL HB H 1.480 0.02 1 61 . 6 VAL CG2 C 23.200 0.30 2 62 . 6 VAL HG2 H 0.887 0.02 1 63 . 6 VAL CG1 C 22.840 0.30 2 64 . 6 VAL HG1 H 0.638 0.02 1 65 . 6 VAL C C 175.130 0.30 1 66 . 7 CYS N N 123.810 0.30 1 67 . 7 CYS H H 7.662 0.02 1 68 . 7 CYS CA C 57.910 0.30 1 69 . 7 CYS HA H 4.301 0.02 1 70 . 7 CYS CB C 31.000 0.30 1 71 . 7 CYS HB3 H 3.096 0.02 2 72 . 7 CYS C C 174.260 0.30 1 73 . 8 THR CA C 66.220 0.30 1 74 . 8 THR HA H 4.125 0.02 1 75 . 8 THR CB C 67.730 0.30 1 76 . 8 THR HB H 4.618 0.02 1 77 . 8 THR CG2 C 23.510 0.30 1 78 . 8 THR HG2 H 1.330 0.02 1 79 . 9 GLY H H 7.643 0.02 9 80 . 9 GLY CA C 45.690 0.30 1 81 . 9 GLY HA3 H 4.286 0.02 2 82 . 9 GLY HA2 H 3.878 0.02 2 83 . 9 GLY C C 174.570 0.30 1 84 . 10 ASN N N 119.380 0.30 1 85 . 10 ASN H H 8.654 0.02 1 86 . 10 ASN CA C 55.300 0.30 1 87 . 10 ASN HA H 3.972 0.02 1 88 . 10 ASN CB C 40.690 0.30 1 89 . 10 ASN HB3 H 3.092 0.02 2 90 . 10 ASN HB2 H 2.029 0.02 2 91 . 11 THR H H 8.198 0.02 1 92 . 11 THR CA C 62.930 0.30 1 93 . 11 THR HA H 4.454 0.02 1 94 . 11 THR CB C 70.780 0.30 1 95 . 11 THR HB H 4.666 0.02 1 96 . 11 THR CG2 C 20.950 0.30 1 97 . 11 THR HG2 H 1.078 0.02 1 98 . 13 ARG H H 8.478 0.02 9 99 . 13 ARG HA H 3.214 0.02 9 100 . 13 ARG CB C 26.650 0.30 1 101 . 13 ARG HB3 H 1.520 0.02 2 102 . 13 ARG CG C 29.920 0.30 1 103 . 13 ARG HG3 H 1.804 0.02 2 104 . 13 ARG CD C 42.390 0.30 1 105 . 13 ARG HD3 H 3.140 0.02 2 106 . 13 ARG HD2 H 3.068 0.02 2 107 . 13 ARG NE N 83.607 0.30 5 108 . 13 ARG HE H 7.064 0.02 5 109 . 13 ARG C C 177.515 0.30 1 110 . 14 SER N N 117.260 0.30 1 111 . 14 SER H H 9.690 0.02 1 112 . 14 SER CA C 65.250 0.30 1 113 . 14 SER HA H 4.026 0.02 1 114 . 14 SER CB C 62.050 0.30 1 115 . 14 SER HB3 H 3.884 0.02 2 116 . 15 PRO CA C 65.130 0.30 1 117 . 15 PRO HA H 4.178 0.02 1 118 . 15 PRO CB C 29.800 0.30 1 119 . 15 PRO HB3 H 0.741 0.02 2 120 . 15 PRO HB2 H 1.085 0.02 2 121 . 15 PRO CG C 28.110 0.30 1 122 . 15 PRO HG3 H 1.008 0.02 2 123 . 15 PRO HG2 H 1.362 0.02 2 124 . 15 PRO CD C 50.360 0.30 1 125 . 15 PRO HD3 H 3.487 0.02 2 126 . 15 PRO HD2 H 3.353 0.02 2 127 . 15 PRO C C 179.640 0.30 1 128 . 16 MET N N 115.570 0.30 1 129 . 16 MET H H 6.935 0.02 1 130 . 16 MET CA C 60.500 0.30 1 131 . 16 MET HA H 3.917 0.02 1 132 . 16 MET CB C 34.510 0.30 1 133 . 16 MET HB3 H 2.441 0.02 2 134 . 16 MET HB2 H 1.827 0.02 2 135 . 16 MET HG2 H 0.909 0.02 2 136 . 16 MET CE C 16.300 0.30 1 137 . 16 MET HE H 2.118 0.02 1 138 . 16 MET C C 176.930 0.30 1 139 . 17 ALA N N 120.550 0.30 1 140 . 17 ALA H H 8.238 0.02 1 141 . 17 ALA CA C 54.680 0.30 1 142 . 17 ALA HA H 3.564 0.02 1 143 . 17 ALA CB C 17.030 0.30 1 144 . 17 ALA HB H 0.535 0.02 1 145 . 17 ALA C C 177.260 0.30 1 146 . 18 GLU N N 118.650 0.30 1 147 . 18 GLU H H 8.042 0.02 1 148 . 18 GLU CA C 59.430 0.30 1 149 . 18 GLU HA H 3.820 0.02 1 150 . 18 GLU CB C 30.470 0.30 1 151 . 18 GLU HB3 H 2.237 0.02 2 152 . 18 GLU HB2 H 1.960 0.02 2 153 . 18 GLU HG2 H 2.092 0.02 2 154 . 18 GLU C C 176.750 0.30 1 155 . 19 ALA N N 120.460 0.30 1 156 . 19 ALA H H 7.655 0.02 1 157 . 19 ALA CA C 55.170 0.30 1 158 . 19 ALA HA H 4.124 0.02 1 159 . 19 ALA CB C 19.420 0.30 1 160 . 19 ALA HB H 1.414 0.02 1 161 . 19 ALA C C 181.410 0.30 1 162 . 20 LEU N N 117.950 0.30 1 163 . 20 LEU H H 8.540 0.02 1 164 . 20 LEU CA C 57.960 0.30 1 165 . 20 LEU HA H 4.020 0.02 1 166 . 20 LEU CB C 43.920 0.30 1 167 . 20 LEU HB3 H 1.903 0.02 2 168 . 20 LEU HB2 H 1.148 0.02 2 169 . 20 LEU CG C 27.450 0.30 1 170 . 20 LEU HG H 0.808 0.02 1 171 . 20 LEU CD1 C 23.220 0.30 2 172 . 20 LEU HD1 H 0.826 0.02 1 173 . 20 LEU C C 179.290 0.30 1 174 . 21 PHE N N 118.930 0.30 1 175 . 21 PHE H H 9.113 0.02 1 176 . 21 PHE CA C 61.560 0.30 1 177 . 21 PHE HA H 4.369 0.02 1 178 . 21 PHE CB C 39.330 0.30 1 179 . 21 PHE HB3 H 3.451 0.02 2 180 . 21 PHE HB2 H 3.085 0.02 2 181 . 21 PHE HD1 H 6.937 0.02 3 182 . 21 PHE HE1 H 7.181 0.02 3 183 . 21 PHE HD2 H 7.346 0.02 3 184 . 21 PHE C C 176.760 0.30 1 185 . 22 LYS N N 118.530 0.30 1 186 . 22 LYS H H 8.479 0.02 1 187 . 22 LYS CA C 61.010 0.30 1 188 . 22 LYS HA H 3.825 0.02 1 189 . 22 LYS CB C 32.790 0.30 1 190 . 22 LYS HB3 H 1.990 0.02 2 191 . 22 LYS HB2 H 1.939 0.02 2 192 . 22 LYS CG C 26.710 0.30 1 193 . 22 LYS HG3 H 1.519 0.02 2 194 . 22 LYS HG2 H 1.791 0.02 2 195 . 22 LYS CD C 30.000 0.30 1 196 . 22 LYS HD3 H 1.802 0.02 2 197 . 22 LYS CE C 42.380 0.30 1 198 . 22 LYS HE3 H 3.152 0.02 2 199 . 22 LYS HE2 H 3.073 0.02 2 200 . 22 LYS C C 179.000 0.30 1 201 . 23 SER N N 112.550 0.30 1 202 . 23 SER H H 7.073 0.02 1 203 . 23 SER CA C 61.370 0.30 1 204 . 23 SER HA H 4.311 0.02 1 205 . 23 SER CB C 63.210 0.30 1 206 . 23 SER HB3 H 4.066 0.02 2 207 . 23 SER C C 177.370 0.30 1 208 . 24 ILE N N 123.360 0.30 1 209 . 24 ILE H H 8.123 0.02 1 210 . 24 ILE CA C 65.240 0.30 1 211 . 24 ILE HA H 3.577 0.02 1 212 . 24 ILE CB C 39.670 0.30 1 213 . 24 ILE HB H 1.611 0.02 1 214 . 24 ILE CG1 C 29.840 0.30 2 215 . 24 ILE HG13 H 1.925 0.02 1 216 . 24 ILE HG12 H 1.040 0.02 1 217 . 24 ILE CD1 C 15.740 0.30 1 218 . 24 ILE HD1 H 0.879 0.02 1 219 . 24 ILE CG2 C 17.860 0.30 2 220 . 24 ILE HG2 H 0.846 0.02 1 221 . 24 ILE C C 177.580 0.30 1 222 . 25 ALA N N 121.710 0.30 1 223 . 25 ALA H H 9.042 0.02 1 224 . 25 ALA CA C 55.680 0.30 1 225 . 25 ALA HA H 3.542 0.02 1 226 . 25 ALA CB C 17.620 0.30 1 227 . 25 ALA HB H 0.962 0.02 1 228 . 25 ALA C C 179.580 0.30 1 229 . 26 GLU N N 117.470 0.30 1 230 . 26 GLU H H 7.566 0.02 1 231 . 26 GLU CA C 59.590 0.30 1 232 . 26 GLU HA H 4.096 0.02 1 233 . 26 GLU CB C 29.450 0.30 1 234 . 26 GLU HB3 H 2.147 0.02 2 235 . 26 GLU CG C 36.130 0.30 1 236 . 26 GLU HG3 H 2.346 0.02 2 237 . 26 GLU C C 180.010 0.30 1 238 . 27 ARG N N 120.730 0.30 1 239 . 27 ARG H H 7.594 0.02 1 240 . 27 ARG CA C 59.070 0.30 1 241 . 27 ARG HA H 4.107 0.02 1 242 . 27 ARG CB C 30.030 0.30 1 243 . 27 ARG HB3 H 2.008 0.02 2 244 . 27 ARG CG C 27.540 0.30 1 245 . 27 ARG HG3 H 1.798 0.02 2 246 . 27 ARG HG2 H 1.743 0.02 2 247 . 27 ARG CD C 43.580 0.30 1 248 . 27 ARG HD3 H 3.230 0.02 2 249 . 27 ARG C C 178.520 0.30 1 250 . 28 GLU N N 116.220 0.30 1 251 . 28 GLU H H 8.084 0.02 1 252 . 28 GLU CA C 55.750 0.30 1 253 . 28 GLU HA H 4.333 0.02 1 254 . 28 GLU CB C 30.120 0.30 1 255 . 28 GLU HB3 H 2.184 0.02 2 256 . 28 GLU HB2 H 1.727 0.02 2 257 . 28 GLU CG C 35.780 0.30 1 258 . 28 GLU HG3 H 2.334 0.02 2 259 . 28 GLU HG2 H 2.140 0.02 2 260 . 28 GLU C C 176.550 0.30 1 261 . 29 GLY N N 109.290 0.30 1 262 . 29 GLY H H 7.704 0.02 1 263 . 29 GLY CA C 46.780 0.30 1 264 . 29 GLY HA3 H 3.967 0.02 2 265 . 29 GLY HA2 H 3.889 0.02 2 266 . 29 GLY C C 174.940 0.30 1 267 . 30 LEU N N 120.560 0.30 1 268 . 30 LEU H H 8.145 0.02 1 269 . 30 LEU CA C 53.900 0.30 1 270 . 30 LEU HA H 4.403 0.02 1 271 . 30 LEU CB C 44.130 0.30 1 272 . 30 LEU HB3 H 1.485 0.02 2 273 . 30 LEU HB2 H 1.396 0.02 2 274 . 30 LEU CG C 27.260 0.30 1 275 . 30 LEU HG H 1.485 0.02 1 276 . 30 LEU CD1 C 24.770 0.30 2 277 . 30 LEU HD1 H 0.885 0.02 1 278 . 30 LEU C C 175.630 0.30 1 279 . 31 ASN CA C 52.830 0.30 1 280 . 31 ASN HA H 4.857 0.02 1 281 . 31 ASN CB C 37.860 0.30 1 282 . 31 ASN HB3 H 2.860 0.02 2 283 . 31 ASN HB2 H 2.714 0.02 2 284 . 31 ASN ND2 N 113.030 0.30 1 285 . 31 ASN HD21 H 7.589 0.02 2 286 . 31 ASN HD22 H 6.887 0.02 2 287 . 32 VAL N N 119.250 0.30 1 288 . 32 VAL H H 7.784 0.02 1 289 . 32 VAL CA C 59.340 0.30 1 290 . 32 VAL HA H 4.850 0.02 1 291 . 32 VAL CB C 35.460 0.30 1 292 . 32 VAL HB H 1.976 0.02 1 293 . 32 VAL CG2 C 22.120 0.30 2 294 . 32 VAL HG2 H 0.852 0.02 1 295 . 32 VAL CG1 C 20.160 0.30 2 296 . 32 VAL HG1 H 0.761 0.02 1 297 . 32 VAL C C 173.520 0.30 1 298 . 33 ASN N N 123.860 0.30 1 299 . 33 ASN H H 8.771 0.02 1 300 . 33 ASN CA C 52.530 0.30 1 301 . 33 ASN HA H 5.113 0.02 1 302 . 33 ASN CB C 39.900 0.30 1 303 . 33 ASN HB3 H 2.788 0.02 2 304 . 33 ASN ND2 N 115.860 0.30 1 305 . 33 ASN HD21 H 7.928 0.02 2 306 . 33 ASN HD22 H 6.805 0.02 2 307 . 33 ASN C C 173.960 0.30 1 308 . 34 VAL N N 124.690 0.30 1 309 . 34 VAL H H 8.851 0.02 1 310 . 34 VAL CA C 60.730 0.30 1 311 . 34 VAL HA H 5.090 0.02 1 312 . 34 VAL CB C 34.630 0.30 1 313 . 34 VAL HB H 2.083 0.02 1 314 . 34 VAL CG2 C 23.940 0.30 2 315 . 34 VAL HG2 H 1.411 0.02 1 316 . 34 VAL CG1 C 23.010 0.30 2 317 . 34 VAL HG1 H 1.091 0.02 1 318 . 34 VAL C C 174.120 0.30 1 319 . 35 ARG NE N 84.970 0.30 5 320 . 35 ARG N N 124.410 0.30 1 321 . 35 ARG H H 8.414 0.02 1 322 . 35 ARG CA C 54.270 0.30 1 323 . 35 ARG HA H 5.006 0.02 1 324 . 35 ARG CB C 35.460 0.30 1 325 . 35 ARG HB3 H 2.039 0.02 2 326 . 35 ARG HB2 H 1.749 0.02 2 327 . 35 ARG CG C 27.080 0.30 1 328 . 35 ARG HG3 H 1.767 0.02 2 329 . 35 ARG HG2 H 1.482 0.02 2 330 . 35 ARG CD C 43.580 0.30 1 331 . 35 ARG HD3 H 3.176 0.02 2 332 . 35 ARG HD2 H 3.058 0.02 2 333 . 35 ARG HE H 7.554 0.02 5 334 . 35 ARG C C 174.770 0.30 1 335 . 36 SER N N 113.860 0.30 1 336 . 36 SER H H 8.612 0.02 1 337 . 36 SER CA C 57.780 0.30 1 338 . 36 SER HA H 5.742 0.02 1 339 . 36 SER CB C 66.810 0.30 1 340 . 36 SER HB3 H 3.931 0.02 2 341 . 36 SER HB2 H 3.597 0.02 2 342 . 36 SER C C 171.950 0.30 1 343 . 37 ALA N N 120.470 0.30 1 344 . 37 ALA H H 8.614 0.02 1 345 . 37 ALA CA C 51.320 0.30 1 346 . 37 ALA HA H 4.693 0.02 1 347 . 37 ALA CB C 22.610 0.30 1 348 . 37 ALA HB H 1.049 0.02 1 349 . 37 ALA C C 175.250 0.30 1 350 . 38 GLY N N 103.430 0.30 1 351 . 38 GLY H H 8.628 0.02 1 352 . 38 GLY CA C 44.040 0.30 1 353 . 38 GLY HA3 H 5.315 0.02 2 354 . 38 GLY HA2 H 3.011 0.02 2 355 . 38 GLY C C 174.240 0.30 1 356 . 39 VAL N N 119.350 0.30 1 357 . 39 VAL H H 8.205 0.02 1 358 . 39 VAL CA C 63.900 0.30 1 359 . 39 VAL HA H 4.117 0.02 1 360 . 39 VAL CB C 31.960 0.30 1 361 . 39 VAL HB H 1.829 0.02 1 362 . 39 VAL CG2 C 22.840 0.30 2 363 . 39 VAL HG2 H 0.647 0.02 1 364 . 39 VAL CG1 C 20.440 0.30 2 365 . 39 VAL HG1 H 0.746 0.02 1 366 . 39 VAL C C 175.760 0.30 1 367 . 40 PHE N N 121.330 0.30 1 368 . 40 PHE H H 8.686 0.02 1 369 . 40 PHE CA C 55.980 0.30 1 370 . 40 PHE HA H 4.976 0.02 1 371 . 40 PHE CB C 39.000 0.30 1 372 . 40 PHE HB3 H 3.327 0.02 2 373 . 40 PHE HB2 H 2.649 0.02 2 374 . 40 PHE HD1 H 7.263 0.02 3 375 . 40 PHE C C 174.960 0.30 1 376 . 41 ALA N N 123.120 0.30 1 377 . 41 ALA H H 7.767 0.02 1 378 . 41 ALA CA C 52.040 0.30 1 379 . 41 ALA HA H 4.289 0.02 1 380 . 41 ALA CB C 20.270 0.30 1 381 . 41 ALA HB H 1.045 0.02 1 382 . 41 ALA C C 177.150 0.30 1 383 . 42 SER N N 119.200 0.30 1 384 . 42 SER H H 8.795 0.02 1 385 . 42 SER CA C 55.970 0.30 1 386 . 42 SER HA H 4.838 0.02 1 387 . 42 SER CB C 63.880 0.30 1 388 . 42 SER HB3 H 3.835 0.02 2 389 . 42 SER C C 173.540 0.30 1 390 . 43 PRO CA C 63.580 0.30 1 391 . 43 PRO HA H 4.510 0.02 1 392 . 43 PRO CB C 32.050 0.30 1 393 . 43 PRO HB3 H 2.264 0.02 2 394 . 43 PRO HB2 H 1.970 0.02 2 395 . 43 PRO CG C 27.410 0.30 1 396 . 43 PRO HG3 H 2.009 0.02 2 397 . 43 PRO CD C 50.910 0.30 1 398 . 43 PRO HD3 H 3.863 0.02 2 399 . 43 PRO HD2 H 3.756 0.02 2 400 . 43 PRO C C 176.950 0.30 1 401 . 44 ASN N N 116.610 0.30 1 402 . 44 ASN H H 8.494 0.02 1 403 . 44 ASN CA C 53.900 0.30 1 404 . 44 ASN HA H 4.517 0.02 1 405 . 44 ASN CB C 38.140 0.30 1 406 . 44 ASN HB3 H 2.940 0.02 2 407 . 44 ASN HB2 H 2.818 0.02 2 408 . 44 ASN ND2 N 114.000 0.30 1 409 . 44 ASN HD21 H 7.596 0.02 2 410 . 44 ASN HD22 H 6.938 0.02 2 411 . 44 ASN C C 175.240 0.30 1 412 . 45 GLY N N 108.850 0.30 1 413 . 45 GLY H H 7.943 0.02 1 414 . 45 GLY CA C 45.530 0.30 1 415 . 45 GLY HA3 H 4.187 0.02 2 416 . 45 GLY HA2 H 3.681 0.02 2 417 . 45 GLY C C 173.370 0.30 1 418 . 46 LYS N N 120.860 0.30 1 419 . 46 LYS H H 8.114 0.02 1 420 . 46 LYS CA C 54.830 0.30 1 421 . 46 LYS HA H 4.906 0.02 1 422 . 46 LYS CB C 35.100 0.30 1 423 . 46 LYS HB3 H 2.095 0.02 2 424 . 46 LYS HB2 H 1.759 0.02 2 425 . 46 LYS CG C 24.590 0.30 1 426 . 46 LYS HG3 H 1.528 0.02 2 427 . 46 LYS CD C 29.210 0.30 1 428 . 46 LYS HD3 H 1.750 0.02 2 429 . 46 LYS CE C 42.200 0.30 1 430 . 46 LYS HE3 H 3.052 0.02 2 431 . 46 LYS C C 176.570 0.30 1 432 . 47 ALA N N 120.650 0.30 1 433 . 47 ALA H H 7.911 0.02 1 434 . 47 ALA CA C 52.240 0.30 1 435 . 47 ALA HA H 4.802 0.02 1 436 . 47 ALA CB C 19.060 0.30 1 437 . 47 ALA HB H 1.322 0.02 1 438 . 47 ALA C C 177.680 0.30 1 439 . 48 THR N N 116.750 0.30 1 440 . 48 THR H H 8.239 0.02 1 441 . 48 THR CA C 60.540 0.30 1 442 . 48 THR HA H 4.387 0.02 1 443 . 48 THR CB C 68.800 0.30 1 444 . 48 THR HB H 4.345 0.02 1 445 . 48 THR CG2 C 23.020 0.30 1 446 . 48 THR HG2 H 1.475 0.02 1 447 . 48 THR C C 174.090 0.30 1 448 . 49 PRO HA H 4.678 0.02 1 449 . 49 PRO HB2 H 2.027 0.02 2 450 . 49 PRO HG2 H 2.538 0.02 2 451 . 49 PRO CD C 50.788 0.30 1 452 . 49 PRO HD3 H 3.724 0.02 2 453 . 49 PRO HD2 H 3.983 0.02 2 454 . 50 HIS H H 7.400 0.02 9 455 . 50 HIS CA C 57.130 0.30 1 456 . 50 HIS HA H 4.471 0.02 1 457 . 50 HIS CB C 29.450 0.30 1 458 . 50 HIS HB3 H 2.159 0.02 2 459 . 50 HIS HB2 H 1.367 0.02 2 460 . 50 HIS HD2 H 6.788 0.02 1 461 . 50 HIS C C 177.410 0.30 1 462 . 51 ALA N N 123.080 0.30 1 463 . 51 ALA H H 7.257 0.02 1 464 . 51 ALA CA C 55.840 0.30 1 465 . 51 ALA HA H 4.178 0.02 1 466 . 51 ALA CB C 18.350 0.30 1 467 . 51 ALA HB H 1.640 0.02 1 468 . 51 ALA C C 178.870 0.30 1 469 . 52 VAL N N 117.790 0.30 1 470 . 52 VAL H H 7.534 0.02 1 471 . 52 VAL CA C 66.410 0.30 1 472 . 52 VAL HA H 3.527 0.02 1 473 . 52 VAL CB C 32.150 0.30 1 474 . 52 VAL HB H 2.328 0.02 1 475 . 52 VAL CG2 C 22.400 0.30 2 476 . 52 VAL HG2 H 1.068 0.02 1 477 . 52 VAL CG1 C 21.180 0.30 2 478 . 52 VAL HG1 H 1.031 0.02 1 479 . 52 VAL C C 180.340 0.30 1 480 . 53 GLU N N 122.510 0.30 1 481 . 53 GLU H H 8.671 0.02 1 482 . 53 GLU CA C 59.450 0.30 1 483 . 53 GLU HA H 4.134 0.02 1 484 . 53 GLU CB C 29.840 0.30 1 485 . 53 GLU HB3 H 2.156 0.02 2 486 . 53 GLU HB2 H 2.006 0.02 2 487 . 53 GLU CG C 35.830 0.30 1 488 . 53 GLU HG3 H 2.359 0.02 2 489 . 53 GLU HG2 H 2.211 0.02 2 490 . 53 GLU C C 179.230 0.30 1 491 . 54 ALA N N 121.320 0.30 1 492 . 54 ALA H H 8.647 0.02 1 493 . 54 ALA CA C 55.170 0.30 1 494 . 54 ALA HA H 3.975 0.02 1 495 . 54 ALA CB C 17.300 0.30 1 496 . 54 ALA HB H 1.466 0.02 1 497 . 54 ALA C C 180.200 0.30 1 498 . 55 LEU N N 119.100 0.30 1 499 . 55 LEU H H 7.729 0.02 1 500 . 55 LEU CA C 58.060 0.30 1 501 . 55 LEU HA H 4.052 0.02 1 502 . 55 LEU CB C 39.340 0.30 1 503 . 55 LEU HB3 H 1.814 0.02 2 504 . 55 LEU CG C 29.400 0.30 1 505 . 55 LEU HG H 1.840 0.02 1 506 . 55 LEU CD1 C 24.720 0.30 2 507 . 55 LEU HD1 H 0.891 0.02 1 508 . 55 LEU C C 178.800 0.30 1 509 . 56 PHE N N 125.130 0.30 1 510 . 56 PHE H H 8.641 0.02 1 511 . 56 PHE CA C 61.550 0.30 1 512 . 56 PHE HA H 4.193 0.02 1 513 . 56 PHE CB C 38.780 0.30 1 514 . 56 PHE HB3 H 3.236 0.02 2 515 . 56 PHE HB2 H 3.423 0.02 2 516 . 56 PHE HE1 H 7.224 0.02 3 517 . 56 PHE C C 179.620 0.30 1 518 . 57 GLU N N 119.380 0.30 1 519 . 57 GLU H H 7.522 0.02 1 520 . 57 GLU CA C 58.790 0.30 1 521 . 57 GLU HA H 3.926 0.02 1 522 . 57 GLU CB C 30.210 0.30 1 523 . 57 GLU HB3 H 2.096 0.02 2 524 . 57 GLU HB2 H 1.994 0.02 2 525 . 57 GLU CG C 36.400 0.30 1 526 . 57 GLU HG3 H 2.450 0.02 2 527 . 57 GLU HG2 H 2.266 0.02 2 528 . 57 GLU C C 176.960 0.30 1 529 . 58 LYS N N 115.560 0.30 1 530 . 58 LYS H H 7.127 0.02 1 531 . 58 LYS CA C 53.630 0.30 1 532 . 58 LYS HA H 4.226 0.02 1 533 . 58 LYS CB C 31.370 0.30 1 534 . 58 LYS HB3 H 2.181 0.02 2 535 . 58 LYS HB2 H 1.632 0.02 2 536 . 58 LYS CG C 25.320 0.30 1 537 . 58 LYS HG3 H 1.442 0.02 2 538 . 58 LYS HG2 H 1.302 0.02 2 539 . 58 LYS CD C 28.090 0.30 1 540 . 58 LYS HD3 H 1.619 0.02 2 541 . 58 LYS HD2 H 1.525 0.02 2 542 . 58 LYS CE C 41.740 0.30 1 543 . 58 LYS HE3 H 2.907 0.02 2 544 . 58 LYS HE2 H 2.829 0.02 2 545 . 58 LYS C C 174.540 0.30 1 546 . 59 HIS N N 113.520 0.30 1 547 . 59 HIS H H 7.708 0.02 1 548 . 59 HIS CA C 56.500 0.30 1 549 . 59 HIS HA H 3.984 0.02 1 550 . 59 HIS CB C 26.520 0.30 1 551 . 59 HIS HB3 H 3.403 0.02 2 552 . 59 HIS HB2 H 3.180 0.02 2 553 . 59 HIS CD2 C 119.770 0.30 1 554 . 59 HIS HD2 H 6.860 0.02 1 555 . 59 HIS C C 174.240 0.30 1 556 . 60 ILE N N 120.950 0.30 1 557 . 60 ILE H H 7.554 0.02 1 558 . 60 ILE CA C 60.000 0.30 1 559 . 60 ILE HA H 4.215 0.02 1 560 . 60 ILE CB C 40.260 0.30 1 561 . 60 ILE HB H 1.483 0.02 1 562 . 60 ILE CG1 C 27.020 0.30 2 563 . 60 ILE HG13 H 1.520 0.02 1 564 . 60 ILE HG12 H 0.984 0.02 1 565 . 60 ILE CD1 C 14.030 0.30 1 566 . 60 ILE HD1 H 0.846 0.02 1 567 . 60 ILE CG2 C 18.020 0.30 2 568 . 60 ILE HG2 H 0.781 0.02 1 569 . 60 ILE C C 174.500 0.30 1 570 . 61 ALA N N 131.820 0.30 1 571 . 61 ALA H H 8.674 0.02 1 572 . 61 ALA CA C 51.500 0.30 1 573 . 61 ALA HA H 4.263 0.02 1 574 . 61 ALA CB C 19.420 0.30 1 575 . 61 ALA HB H 1.368 0.02 1 576 . 61 ALA C C 175.700 0.30 1 577 . 62 LEU N N 125.410 0.30 1 578 . 62 LEU H H 8.143 0.02 1 579 . 62 LEU CA C 54.460 0.30 1 580 . 62 LEU HA H 4.480 0.02 1 581 . 62 LEU CB C 43.210 0.30 1 582 . 62 LEU HB3 H 1.986 0.02 2 583 . 62 LEU HB2 H 1.148 0.02 2 584 . 62 LEU CG C 27.020 0.30 1 585 . 62 LEU HG H 1.380 0.02 1 586 . 62 LEU CD1 C 26.080 0.30 2 587 . 62 LEU HD1 H 0.613 0.02 1 588 . 62 LEU CD2 C 24.530 0.30 2 589 . 62 LEU HD2 H 0.713 0.02 1 590 . 62 LEU C C 174.370 0.30 1 591 . 63 ASN H H 8.361 0.02 9 592 . 63 ASN CA C 52.440 0.30 1 593 . 63 ASN HA H 4.937 0.02 1 594 . 63 ASN CB C 38.780 0.30 1 595 . 63 ASN HB3 H 2.813 0.02 2 596 . 63 ASN HB2 H 2.649 0.02 2 597 . 63 ASN ND2 N 113.730 0.30 1 598 . 63 ASN HD21 H 7.640 0.02 2 599 . 63 ASN HD22 H 6.913 0.02 2 600 . 64 HIS CA C 57.240 0.30 1 601 . 64 HIS HA H 4.788 0.02 1 602 . 64 HIS CB C 34.640 0.30 1 603 . 64 HIS HB3 H 2.852 0.02 2 604 . 64 HIS HB2 H 2.717 0.02 2 605 . 64 HIS CD2 C 116.510 0.30 1 606 . 64 HIS HD2 H 6.511 0.02 1 607 . 64 HIS C C 173.820 0.30 1 608 . 65 VAL N N 127.590 0.30 1 609 . 65 VAL H H 7.410 0.02 1 610 . 65 VAL CA C 60.530 0.30 1 611 . 65 VAL HA H 4.384 0.02 1 612 . 65 VAL CB C 33.900 0.30 1 613 . 65 VAL HB H 1.790 0.02 1 614 . 65 VAL CG2 C 20.720 0.30 2 615 . 65 VAL HG2 H 0.849 0.02 1 616 . 65 VAL CG1 C 21.270 0.30 2 617 . 65 VAL HG1 H 0.938 0.02 1 618 . 65 VAL C C 174.780 0.30 1 619 . 66 SER N N 121.580 0.30 1 620 . 66 SER H H 8.357 0.02 1 621 . 66 SER CA C 59.070 0.30 1 622 . 66 SER HA H 4.548 0.02 1 623 . 66 SER CB C 65.060 0.30 1 624 . 66 SER HB3 H 3.926 0.02 2 625 . 66 SER HB2 H 3.730 0.02 2 626 . 66 SER C C 174.200 0.30 1 627 . 67 SER N N 117.010 0.30 1 628 . 67 SER H H 8.842 0.02 1 629 . 67 SER CA C 55.570 0.30 1 630 . 67 SER HA H 5.036 0.02 1 631 . 67 SER CB C 66.020 0.30 1 632 . 67 SER HB3 H 3.876 0.02 2 633 . 67 SER HB2 H 3.793 0.02 2 634 . 67 SER C C 171.860 0.30 1 635 . 68 PRO CA C 61.840 0.30 1 636 . 68 PRO HA H 4.831 0.02 1 637 . 68 PRO CB C 32.610 0.30 1 638 . 68 PRO HB3 H 2.365 0.02 2 639 . 68 PRO HB2 H 1.878 0.02 2 640 . 68 PRO CG C 26.800 0.30 1 641 . 68 PRO HG3 H 2.001 0.02 2 642 . 68 PRO CD C 51.140 0.30 1 643 . 68 PRO HD3 H 3.912 0.02 2 644 . 68 PRO HD2 H 3.495 0.02 2 645 . 68 PRO C C 176.040 0.30 1 646 . 69 LEU N N 122.780 0.30 1 647 . 69 LEU H H 8.130 0.02 1 648 . 69 LEU CA C 55.570 0.30 1 649 . 69 LEU HA H 3.913 0.02 1 650 . 69 LEU CB C 42.380 0.30 1 651 . 69 LEU HB3 H 1.835 0.02 2 652 . 69 LEU HB2 H 0.842 0.02 2 653 . 69 LEU CG C 26.430 0.30 1 654 . 69 LEU HG H 1.078 0.02 1 655 . 69 LEU CD1 C 22.840 0.30 2 656 . 69 LEU HD1 H 0.548 0.02 1 657 . 69 LEU C C 175.130 0.30 1 658 . 70 THR N N 114.790 0.30 1 659 . 70 THR H H 6.328 0.02 1 660 . 70 THR CA C 59.200 0.30 1 661 . 70 THR HA H 4.830 0.02 1 662 . 70 THR CB C 72.850 0.30 1 663 . 70 THR HB H 4.696 0.02 1 664 . 70 THR CG2 C 21.360 0.30 1 665 . 70 THR HG2 H 1.213 0.02 1 666 . 70 THR C C 174.440 0.30 1 667 . 71 GLU N N 122.800 0.30 1 668 . 71 GLU H H 9.258 0.02 1 669 . 71 GLU CA C 60.000 0.30 1 670 . 71 GLU HA H 3.498 0.02 1 671 . 71 GLU CB C 29.470 0.30 1 672 . 71 GLU HB3 H 2.313 0.02 2 673 . 71 GLU HB2 H 2.101 0.02 2 674 . 71 GLU CG C 36.480 0.30 1 675 . 71 GLU HG3 H 2.515 0.02 2 676 . 71 GLU HG2 H 2.420 0.02 2 677 . 71 GLU C C 177.260 0.30 1 678 . 72 GLU N N 118.290 0.30 1 679 . 72 GLU H H 8.588 0.02 1 680 . 72 GLU CA C 60.100 0.30 1 681 . 72 GLU HA H 3.952 0.02 1 682 . 72 GLU CB C 29.020 0.30 1 683 . 72 GLU HB3 H 1.995 0.02 2 684 . 72 GLU HB2 H 1.838 0.02 2 685 . 72 GLU CG C 36.940 0.30 1 686 . 72 GLU HG3 H 2.278 0.02 2 687 . 72 GLU C C 179.700 0.30 1 688 . 73 LEU N N 120.800 0.30 1 689 . 73 LEU H H 7.272 0.02 1 690 . 73 LEU CA C 57.500 0.30 1 691 . 73 LEU HA H 3.830 0.02 1 692 . 73 LEU CB C 42.380 0.30 1 693 . 73 LEU HB3 H 1.533 0.02 2 694 . 73 LEU HB2 H 1.095 0.02 2 695 . 73 LEU CG C 27.350 0.30 1 696 . 73 LEU HG H 1.576 0.02 1 697 . 73 LEU CD1 C 23.400 0.30 2 698 . 73 LEU HD1 H 0.710 0.02 1 699 . 73 LEU CD2 C 25.790 0.30 2 700 . 73 LEU HD2 H 0.858 0.02 1 701 . 73 LEU C C 178.640 0.30 1 702 . 74 MET N N 116.550 0.30 1 703 . 74 MET H H 7.251 0.02 1 704 . 74 MET CA C 55.200 0.30 1 705 . 74 MET HA H 3.756 0.02 1 706 . 74 MET CB C 29.100 0.30 1 707 . 74 MET HB3 H 1.023 0.02 2 708 . 74 MET HB2 H 1.434 0.02 2 709 . 74 MET CG C 30.060 0.30 1 710 . 74 MET HG3 H 1.139 0.02 2 711 . 74 MET HG2 H 1.512 0.02 2 712 . 74 MET CE C 15.524 0.30 1 713 . 74 MET HE H 1.558 0.02 1 714 . 74 MET C C 177.920 0.30 1 715 . 75 GLU N N 120.200 0.30 1 716 . 75 GLU H H 8.192 0.02 1 717 . 75 GLU CA C 59.160 0.30 1 718 . 75 GLU HA H 3.250 0.02 1 719 . 75 GLU CB C 29.470 0.30 1 720 . 75 GLU HB3 H 2.002 0.02 2 721 . 75 GLU HB2 H 1.901 0.02 2 722 . 75 GLU CG C 35.790 0.30 1 723 . 75 GLU HG3 H 2.199 0.02 2 724 . 75 GLU HG2 H 2.241 0.02 2 725 . 75 GLU C C 177.430 0.30 1 726 . 76 SER N N 111.470 0.30 1 727 . 76 SER H H 7.168 0.02 1 728 . 76 SER CA C 59.620 0.30 1 729 . 76 SER HA H 4.074 0.02 1 730 . 76 SER CB C 64.040 0.30 1 731 . 76 SER HB3 H 3.775 0.02 2 732 . 76 SER HB2 H 3.816 0.02 2 733 . 76 SER C C 174.570 0.30 1 734 . 77 ALA N N 122.710 0.30 1 735 . 77 ALA H H 7.056 0.02 1 736 . 77 ALA CA C 52.520 0.30 1 737 . 77 ALA HA H 3.952 0.02 1 738 . 77 ALA CB C 19.240 0.30 1 739 . 77 ALA HB H 1.010 0.02 1 740 . 77 ALA C C 177.070 0.30 1 741 . 78 ASP N N 119.450 0.30 1 742 . 78 ASP H H 9.228 0.02 1 743 . 78 ASP CA C 56.560 0.30 1 744 . 78 ASP HA H 4.843 0.02 1 745 . 78 ASP CB C 43.580 0.30 1 746 . 78 ASP HB3 H 2.672 0.02 2 747 . 78 ASP HB2 H 2.613 0.02 2 748 . 78 ASP C C 176.080 0.30 1 749 . 79 LEU N N 119.000 0.30 1 750 . 79 LEU H H 7.379 0.02 1 751 . 79 LEU CA C 54.550 0.30 1 752 . 79 LEU HA H 4.680 0.02 1 753 . 79 LEU CB C 46.820 0.30 1 754 . 79 LEU HB3 H 1.219 0.02 2 755 . 79 LEU CG C 27.170 0.30 1 756 . 79 LEU HG H 1.041 0.02 1 757 . 79 LEU CD1 C 24.490 0.30 2 758 . 79 LEU HD1 H 0.383 0.02 1 759 . 79 LEU CD2 C 23.670 0.30 2 760 . 79 LEU HD2 H 0.554 0.02 1 761 . 79 LEU C C 173.370 0.30 1 762 . 80 VAL N N 127.630 0.30 1 763 . 80 VAL H H 8.695 0.02 1 764 . 80 VAL CA C 61.000 0.30 1 765 . 80 VAL HA H 4.458 0.02 1 766 . 80 VAL CB C 32.790 0.30 1 767 . 80 VAL HB H 1.863 0.02 1 768 . 80 VAL CG2 C 20.250 0.30 2 769 . 80 VAL HG2 H 0.567 0.02 1 770 . 80 VAL CG1 C 21.180 0.30 2 771 . 80 VAL HG1 H 0.650 0.02 1 772 . 80 VAL C C 173.580 0.30 1 773 . 81 LEU N N 125.860 0.30 1 774 . 81 LEU H H 8.690 0.02 1 775 . 81 LEU CA C 52.060 0.30 1 776 . 81 LEU HA H 5.368 0.02 1 777 . 81 LEU CB C 43.300 0.30 1 778 . 81 LEU HB3 H 1.605 0.02 2 779 . 81 LEU HB2 H 0.759 0.02 2 780 . 81 LEU CG C 24.130 0.30 1 781 . 81 LEU HG H 0.485 0.02 1 782 . 81 LEU CD1 C 26.890 0.30 2 783 . 81 LEU HD1 H 0.394 0.02 1 784 . 81 LEU C C 175.480 0.30 1 785 . 82 ALA N N 126.900 0.30 1 786 . 82 ALA H H 9.257 0.02 1 787 . 82 ALA CA C 49.660 0.30 1 788 . 82 ALA HA H 5.032 0.02 1 789 . 82 ALA CB C 20.900 0.30 1 790 . 82 ALA HB H 1.351 0.02 1 791 . 82 ALA C C 178.460 0.30 1 792 . 83 MET N N 118.530 0.30 1 793 . 83 MET H H 8.416 0.02 1 794 . 83 MET CA C 57.500 0.30 1 795 . 83 MET HA H 4.895 0.02 1 796 . 83 MET CB C 34.460 0.30 1 797 . 83 MET HB3 H 2.990 0.02 2 798 . 83 MET HB2 H 2.915 0.02 2 799 . 83 MET HG3 H 2.010 0.02 2 800 . 83 MET HG2 H 1.934 0.02 2 801 . 83 MET CE C 20.440 0.30 1 802 . 83 MET HE H 2.019 0.02 1 803 . 83 MET C C 177.970 0.30 1 804 . 84 THR N N 111.750 0.30 1 805 . 84 THR H H 8.428 0.02 1 806 . 84 THR CA C 58.610 0.30 1 807 . 84 THR HA H 5.337 0.02 1 808 . 84 THR CB C 72.250 0.30 1 809 . 84 THR HB H 4.565 0.02 1 810 . 84 THR CG2 C 22.280 0.30 1 811 . 84 THR HG2 H 1.139 0.02 1 812 . 84 THR C C 175.010 0.30 1 813 . 85 HIS N N 123.880 0.30 1 814 . 85 HIS H H 9.688 0.02 1 815 . 85 HIS CA C 61.090 0.30 1 816 . 85 HIS HA H 3.828 0.02 1 817 . 85 HIS CB C 29.200 0.30 1 818 . 85 HIS HB3 H 3.285 0.02 2 819 . 85 HIS HB2 H 3.166 0.02 2 820 . 85 HIS HD2 H 7.035 0.02 1 821 . 85 HIS C C 177.690 0.30 1 822 . 86 GLN N N 122.440 0.30 1 823 . 86 GLN H H 8.516 0.02 1 824 . 86 GLN CA C 59.430 0.30 1 825 . 86 GLN HA H 4.076 0.02 1 826 . 86 GLN CB C 28.000 0.30 1 827 . 86 GLN HB3 H 1.973 0.02 2 828 . 86 GLN HB2 H 1.889 0.02 2 829 . 86 GLN CG C 33.900 0.30 1 830 . 86 GLN HG3 H 2.442 0.02 2 831 . 86 GLN HG2 H 2.261 0.02 2 832 . 86 GLN NE2 N 112.760 0.30 1 833 . 86 GLN HE21 H 7.535 0.02 2 834 . 86 GLN HE22 H 6.899 0.02 2 835 . 86 GLN C C 178.730 0.30 1 836 . 87 HIS N N 118.660 0.30 1 837 . 87 HIS H H 7.879 0.02 1 838 . 87 HIS CA C 59.160 0.30 1 839 . 87 HIS HA H 4.212 0.02 1 840 . 87 HIS CB C 33.150 0.30 1 841 . 87 HIS HB3 H 2.816 0.02 2 842 . 87 HIS HB2 H 3.620 0.02 2 843 . 87 HIS CD2 C 115.150 0.30 1 844 . 87 HIS HD2 H 6.717 0.02 2 845 . 87 HIS C C 177.420 0.30 1 846 . 88 LYS N N 119.110 0.30 1 847 . 88 LYS H H 7.708 0.02 1 848 . 88 LYS CA C 60.170 0.30 1 849 . 88 LYS HA H 3.545 0.02 1 850 . 88 LYS CB C 32.880 0.30 1 851 . 88 LYS HB3 H 2.098 0.02 2 852 . 88 LYS HB2 H 1.369 0.02 2 853 . 88 LYS CG C 20.815 0.30 1 854 . 88 LYS HG2 H 1.085 0.02 2 855 . 88 LYS HD2 H 1.675 0.02 2 856 . 88 LYS C C 176.470 0.30 1 857 . 89 GLN N N 117.730 0.30 1 858 . 89 GLN H H 7.967 0.02 1 859 . 89 GLN CA C 58.790 0.30 1 860 . 89 GLN HA H 4.003 0.02 1 861 . 89 GLN CB C 28.370 0.30 1 862 . 89 GLN HB2 H 2.157 0.02 2 863 . 89 GLN CG C 33.930 0.30 1 864 . 89 GLN HG3 H 2.386 0.02 2 865 . 89 GLN HG2 H 2.286 0.02 2 866 . 89 GLN NE2 N 112.280 0.30 1 867 . 89 GLN HE21 H 7.275 0.02 2 868 . 89 GLN HE22 H 6.843 0.02 2 869 . 89 GLN C C 179.370 0.30 1 870 . 90 ILE N N 122.150 0.30 1 871 . 90 ILE H H 8.227 0.02 1 872 . 90 ILE CA C 65.240 0.30 1 873 . 90 ILE HA H 3.764 0.02 1 874 . 90 ILE CB C 38.600 0.30 1 875 . 90 ILE HB H 1.879 0.02 1 876 . 90 ILE CG1 C 28.830 0.30 2 877 . 90 ILE HG13 H 1.883 0.02 1 878 . 90 ILE HG12 H 1.180 0.02 1 879 . 90 ILE CD1 C 14.170 0.30 1 880 . 90 ILE HD1 H 0.935 0.02 1 881 . 90 ILE CG2 C 17.770 0.30 2 882 . 90 ILE HG2 H 0.874 0.02 1 883 . 90 ILE C C 178.890 0.30 1 884 . 91 ILE N N 121.220 0.30 1 885 . 91 ILE H H 8.556 0.02 1 886 . 91 ILE CA C 66.170 0.30 1 887 . 91 ILE HA H 3.528 0.02 1 888 . 91 ILE CB C 38.880 0.30 1 889 . 91 ILE HB H 1.776 0.02 1 890 . 91 ILE CG1 C 28.920 0.30 2 891 . 91 ILE HG13 H 1.881 0.02 1 892 . 91 ILE HG12 H 1.180 0.02 1 893 . 91 ILE CD1 C 15.000 0.30 1 894 . 91 ILE HD1 H 0.581 0.02 1 895 . 91 ILE CG2 C 19.520 0.30 2 896 . 91 ILE HG2 H 0.948 0.02 1 897 . 91 ILE C C 177.720 0.30 1 898 . 92 ALA N N 120.390 0.30 1 899 . 92 ALA H H 8.486 0.02 1 900 . 92 ALA CA C 55.100 0.30 1 901 . 92 ALA HA H 3.802 0.02 1 902 . 92 ALA CB C 18.140 0.30 1 903 . 92 ALA HB H 1.397 0.02 1 904 . 92 ALA C C 178.640 0.30 1 905 . 93 SER N N 111.450 0.30 1 906 . 93 SER H H 7.695 0.02 1 907 . 93 SER CA C 60.730 0.30 1 908 . 93 SER HA H 4.258 0.02 1 909 . 93 SER CB C 63.380 0.30 1 910 . 93 SER HB3 H 4.000 0.02 2 911 . 93 SER C C 176.210 0.30 1 912 . 94 GLN N N 121.450 0.30 1 913 . 94 GLN H H 7.886 0.02 1 914 . 94 GLN CA C 57.780 0.30 1 915 . 94 GLN HA H 3.986 0.02 1 916 . 94 GLN CB C 30.030 0.30 1 917 . 94 GLN HB3 H 1.270 0.02 2 918 . 94 GLN HB2 H 1.740 0.02 2 919 . 94 GLN CG C 33.720 0.30 1 920 . 94 GLN HG3 H 2.149 0.02 2 921 . 94 GLN HG2 H 1.840 0.02 2 922 . 94 GLN NE2 N 109.270 0.30 1 923 . 94 GLN HE21 H 6.907 0.02 2 924 . 94 GLN HE22 H 6.415 0.02 2 925 . 94 GLN C C 176.620 0.30 1 926 . 95 PHE N N 119.960 0.30 1 927 . 95 PHE H H 8.362 0.02 1 928 . 95 PHE CA C 55.380 0.30 1 929 . 95 PHE HA H 5.166 0.02 1 930 . 95 PHE CB C 39.240 0.30 1 931 . 95 PHE HB3 H 3.260 0.02 2 932 . 95 PHE HB2 H 2.930 0.02 2 933 . 95 PHE HD1 H 7.368 0.02 3 934 . 95 PHE HE1 H 6.977 0.02 3 935 . 95 PHE HD2 H 7.121 0.02 3 936 . 95 PHE C C 176.800 0.30 1 937 . 96 GLY N N 110.450 0.30 1 938 . 96 GLY H H 8.236 0.02 1 939 . 96 GLY CA C 48.560 0.30 1 940 . 96 GLY HA3 H 3.964 0.02 2 941 . 96 GLY C C 176.820 0.30 1 942 . 97 ARG N N 119.770 0.30 1 943 . 97 ARG H H 8.492 0.02 1 944 . 97 ARG CA C 58.000 0.30 1 945 . 97 ARG HA H 4.031 0.02 1 946 . 97 ARG CB C 29.750 0.30 1 947 . 97 ARG HB3 H 1.461 0.02 2 948 . 97 ARG HB2 H 1.151 0.02 2 949 . 97 ARG CG C 26.620 0.30 1 950 . 97 ARG HG3 H 1.080 0.02 2 951 . 97 ARG HG2 H 0.955 0.02 2 952 . 97 ARG CD C 43.480 0.30 1 953 . 97 ARG HD3 H 2.965 0.02 2 954 . 97 ARG C C 176.960 0.30 1 955 . 98 TYR N N 117.190 0.30 1 956 . 98 TYR H H 7.823 0.02 1 957 . 98 TYR CA C 56.300 0.30 1 958 . 98 TYR HA H 4.979 0.02 1 959 . 98 TYR CB C 39.520 0.30 1 960 . 98 TYR HB3 H 2.422 0.02 2 961 . 98 TYR HB2 H 3.291 0.02 2 962 . 98 TYR CD1 C 132.710 0.30 3 963 . 98 TYR HD1 H 6.974 0.02 3 964 . 98 TYR C C 176.030 0.30 1 965 . 99 ARG N N 118.230 0.30 1 966 . 99 ARG H H 7.319 0.02 1 967 . 99 ARG CA C 59.340 0.30 1 968 . 99 ARG HA H 3.815 0.02 1 969 . 99 ARG CB C 30.030 0.30 1 970 . 99 ARG HB3 H 1.981 0.02 2 971 . 99 ARG HB2 H 1.903 0.02 2 972 . 99 ARG CG C 26.060 0.30 1 973 . 99 ARG HG3 H 1.805 0.02 2 974 . 99 ARG HG2 H 1.580 0.02 2 975 . 99 ARG CD C 43.580 0.30 1 976 . 99 ARG HD3 H 3.232 0.02 2 977 . 99 ARG C C 176.840 0.30 1 978 . 100 ASP N N 118.620 0.30 1 979 . 100 ASP H H 8.670 0.02 1 980 . 100 ASP CA C 55.930 0.30 1 981 . 100 ASP HA H 4.426 0.02 1 982 . 100 ASP CB C 40.110 0.30 1 983 . 100 ASP HB3 H 2.791 0.02 2 984 . 100 ASP HB2 H 2.645 0.02 2 985 . 100 ASP C C 176.230 0.30 1 986 . 101 LYS N N 116.420 0.30 1 987 . 101 LYS H H 7.631 0.02 1 988 . 101 LYS CA C 56.120 0.30 1 989 . 101 LYS HA H 4.687 0.02 1 990 . 101 LYS CB C 33.810 0.30 1 991 . 101 LYS HB3 H 1.956 0.02 2 992 . 101 LYS HB2 H 1.756 0.02 2 993 . 101 LYS CG C 24.680 0.30 1 994 . 101 LYS HG3 H 1.637 0.02 2 995 . 101 LYS HG2 H 1.356 0.02 2 996 . 101 LYS CD C 29.930 0.30 1 997 . 101 LYS HD3 H 1.519 0.02 2 998 . 101 LYS CE C 43.020 0.30 1 999 . 101 LYS HE3 H 3.077 0.02 2 1000 . 101 LYS HE2 H 2.935 0.02 2 1001 . 101 LYS C C 173.610 0.30 1 1002 . 102 VAL N N 118.640 0.30 1 1003 . 102 VAL H H 6.802 0.02 1 1004 . 102 VAL CA C 60.820 0.30 1 1005 . 102 VAL HA H 4.926 0.02 1 1006 . 102 VAL CB C 32.420 0.30 1 1007 . 102 VAL HB H 1.934 0.02 1 1008 . 102 VAL CG2 C 22.100 0.30 2 1009 . 102 VAL HG2 H 0.787 0.02 1 1010 . 102 VAL C C 174.140 0.30 1 1011 . 103 PHE N N 124.520 0.30 1 1012 . 103 PHE H H 8.828 0.02 1 1013 . 103 PHE CA C 55.660 0.30 1 1014 . 103 PHE HA H 4.946 0.02 1 1015 . 103 PHE CB C 45.050 0.30 1 1016 . 103 PHE HB3 H 3.444 0.02 2 1017 . 103 PHE HB2 H 2.473 0.02 2 1018 . 103 PHE CD1 C 132.890 0.30 3 1019 . 103 PHE HD1 H 7.068 0.02 3 1020 . 103 PHE HE1 H 7.346 0.02 3 1021 . 103 PHE HD2 H 6.078 0.02 3 1022 . 103 PHE C C 176.920 0.30 1 1023 . 104 THR N N 114.140 0.30 1 1024 . 104 THR H H 10.303 0.02 1 1025 . 104 THR CA C 61.370 0.30 1 1026 . 104 THR HA H 5.064 0.02 1 1027 . 104 THR CB C 69.520 0.30 1 1028 . 104 THR HB H 4.830 0.02 1 1029 . 104 THR CG2 C 20.410 0.30 1 1030 . 104 THR HG2 H 0.690 0.02 1 1031 . 104 THR C C 175.850 0.30 1 1032 . 105 LEU N N 122.690 0.30 1 1033 . 105 LEU H H 8.691 0.02 1 1034 . 105 LEU CA C 58.740 0.30 1 1035 . 105 LEU HA H 4.201 0.02 1 1036 . 105 LEU CB C 42.470 0.30 1 1037 . 105 LEU HB3 H 1.847 0.02 2 1038 . 105 LEU HB2 H 1.335 0.02 2 1039 . 105 LEU CG C 27.540 0.30 1 1040 . 105 LEU HG H 0.819 0.02 1 1041 . 105 LEU CD1 C 24.770 0.30 2 1042 . 105 LEU HD1 H 1.053 0.02 1 1043 . 106 LYS N N 114.180 0.30 1 1044 . 106 LYS H H 8.898 0.02 1 1045 . 106 LYS CA C 61.920 0.30 1 1046 . 106 LYS HA H 3.971 0.02 1 1047 . 106 LYS CB C 31.320 0.30 1 1048 . 106 LYS HB3 H 1.784 0.02 2 1049 . 106 LYS CG C 29.380 0.30 1 1050 . 106 LYS HG3 H 1.273 0.02 2 1051 . 106 LYS CD C 29.470 0.30 1 1052 . 106 LYS HD3 H 1.515 0.02 2 1053 . 106 LYS HD2 H 1.586 0.02 2 1054 . 106 LYS CE C 42.920 0.30 1 1055 . 106 LYS HE3 H 2.991 0.02 2 1056 . 106 LYS HE2 H 2.594 0.02 2 1057 . 107 GLU N N 124.430 0.30 1 1058 . 107 GLU H H 8.254 0.02 1 1059 . 107 GLU CA C 58.980 0.30 1 1060 . 107 GLU HA H 4.240 0.02 1 1061 . 107 GLU CB C 28.370 0.30 1 1062 . 107 GLU HB3 H 2.170 0.02 2 1063 . 107 GLU HB2 H 2.001 0.02 2 1064 . 107 GLU CG C 36.070 0.30 1 1065 . 107 GLU HG3 H 2.991 0.02 2 1066 . 107 GLU HG2 H 2.217 0.02 2 1067 . 107 GLU C C 178.540 0.30 1 1068 . 108 TYR N N 123.290 0.30 1 1069 . 108 TYR H H 8.314 0.02 1 1070 . 108 TYR CA C 62.110 0.30 1 1071 . 108 TYR HA H 3.740 0.02 1 1072 . 108 TYR CB C 40.170 0.30 1 1073 . 108 TYR HB3 H 2.788 0.02 2 1074 . 108 TYR HB2 H 2.842 0.02 2 1075 . 108 TYR CD1 C 132.480 0.30 3 1076 . 108 TYR HD1 H 6.076 0.02 3 1077 . 108 TYR CE1 C 118.630 0.30 2 1078 . 108 TYR HE1 H 6.175 0.02 3 1079 . 108 TYR HD2 H 7.331 0.02 3 1080 . 108 TYR C C 177.020 0.30 1 1081 . 109 VAL N N 112.430 0.30 1 1082 . 109 VAL H H 7.752 0.02 1 1083 . 109 VAL CA C 63.950 0.30 1 1084 . 109 VAL HA H 4.317 0.02 1 1085 . 109 VAL CB C 33.620 0.30 1 1086 . 109 VAL HB H 2.079 0.02 1 1087 . 109 VAL CG2 C 23.850 0.30 2 1088 . 109 VAL HG2 H 1.232 0.02 1 1089 . 109 VAL CG1 C 22.650 0.30 2 1090 . 109 VAL HG1 H 1.071 0.02 1 1091 . 109 VAL C C 177.330 0.30 1 1092 . 110 THR N N 107.610 0.30 1 1093 . 110 THR H H 8.212 0.02 1 1094 . 110 THR CA C 62.020 0.30 1 1095 . 110 THR HA H 4.666 0.02 1 1096 . 110 THR CB C 72.250 0.30 1 1097 . 110 THR HB H 4.418 0.02 1 1098 . 110 THR CG2 C 21.450 0.30 1 1099 . 110 THR HG2 H 1.263 0.02 1 1100 . 110 THR C C 176.280 0.30 1 1101 . 111 GLY N N 111.800 0.30 1 1102 . 111 GLY H H 7.641 0.02 1 1103 . 111 GLY CA C 45.890 0.30 1 1104 . 111 GLY HA3 H 4.274 0.02 2 1105 . 111 GLY HA2 H 3.871 0.02 2 1106 . 111 GLY C C 173.540 0.30 1 1107 . 112 SER N N 116.560 0.30 1 1108 . 112 SER H H 7.860 0.02 1 1109 . 112 SER CA C 57.130 0.30 1 1110 . 112 SER HA H 4.690 0.02 1 1111 . 112 SER CB C 65.240 0.30 1 1112 . 112 SER HB3 H 3.717 0.02 2 1113 . 112 SER HB2 H 3.604 0.02 2 1114 . 112 SER C C 172.470 0.30 1 1115 . 113 HIS N N 120.900 0.30 1 1116 . 113 HIS H H 8.274 0.02 1 1117 . 113 HIS CA C 56.670 0.30 1 1118 . 113 HIS HA H 4.484 0.02 1 1119 . 113 HIS CB C 31.230 0.30 1 1120 . 113 HIS HB3 H 2.908 0.02 2 1121 . 113 HIS HB2 H 2.847 0.02 2 1122 . 113 HIS CD2 C 118.860 0.30 1 1123 . 113 HIS HD2 H 6.871 0.02 1 1124 . 113 HIS C C 176.620 0.30 1 1125 . 114 GLY N N 111.600 0.30 1 1126 . 114 GLY H H 8.743 0.02 1 1127 . 114 GLY CA C 46.260 0.30 1 1128 . 114 GLY HA3 H 4.017 0.02 2 1129 . 114 GLY C C 171.550 0.30 1 1130 . 115 ASP N N 122.620 0.30 1 1131 . 115 ASP H H 8.835 0.02 1 1132 . 115 ASP CA C 53.440 0.30 1 1133 . 115 ASP HA H 5.301 0.02 1 1134 . 115 ASP CB C 43.300 0.30 1 1135 . 115 ASP HB3 H 2.638 0.02 2 1136 . 115 ASP HB2 H 2.574 0.02 2 1137 . 115 ASP C C 177.030 0.30 1 1138 . 116 VAL N N 124.790 0.30 1 1139 . 116 VAL H H 7.719 0.02 1 1140 . 116 VAL CA C 62.570 0.30 1 1141 . 116 VAL HA H 4.160 0.02 1 1142 . 116 VAL CB C 32.880 0.30 1 1143 . 116 VAL HB H 1.868 0.02 1 1144 . 116 VAL CG2 C 22.280 0.30 2 1145 . 116 VAL HG2 H 1.213 0.02 1 1146 . 116 VAL CG1 C 20.440 0.30 2 1147 . 116 VAL HG1 H 1.093 0.02 1 1148 . 116 VAL C C 175.450 0.30 1 1149 . 117 LEU N N 133.190 0.30 1 1150 . 117 LEU H H 9.152 0.02 1 1151 . 117 LEU CA C 56.490 0.30 1 1152 . 117 LEU HA H 3.958 0.02 1 1153 . 117 LEU CB C 42.750 0.30 1 1154 . 117 LEU HB3 H 1.645 0.02 2 1155 . 117 LEU HB2 H 1.490 0.02 2 1156 . 117 LEU CG C 26.710 0.30 1 1157 . 117 LEU HG H 1.385 0.02 1 1158 . 117 LEU CD1 C 24.960 0.30 2 1159 . 117 LEU HD1 H 0.796 0.02 1 1160 . 117 LEU CD2 C 24.130 0.30 2 1161 . 117 LEU HD2 H 0.876 0.02 1 1162 . 117 LEU C C 175.900 0.30 1 1163 . 118 ASP N N 124.410 0.30 1 1164 . 118 ASP H H 8.388 0.02 1 1165 . 118 ASP CA C 51.050 0.30 1 1166 . 118 ASP HA H 4.553 0.02 1 1167 . 118 ASP CB C 42.150 0.30 1 1168 . 118 ASP HB3 H 3.080 0.02 2 1169 . 118 ASP HB2 H 2.740 0.02 2 1170 . 118 ASP C C 175.630 0.30 1 1171 . 119 PRO CA C 62.260 0.30 1 1172 . 119 PRO HA H 4.315 0.02 1 1173 . 119 PRO CB C 30.790 0.30 1 1174 . 119 PRO HB3 H 1.495 0.02 2 1175 . 119 PRO HB2 H 0.474 0.02 2 1176 . 119 PRO HG3 H 1.340 0.02 2 1177 . 119 PRO HG2 H 1.271 0.02 2 1178 . 119 PRO HD3 H 2.924 0.02 2 1179 . 119 PRO HD2 H 3.517 0.02 2 1180 . 119 PRO C C 177.330 0.30 1 1181 . 120 PHE N N 122.390 0.30 1 1182 . 120 PHE H H 7.869 0.02 1 1183 . 120 PHE CA C 61.620 0.30 1 1184 . 120 PHE HA H 4.362 0.02 1 1185 . 120 PHE CB C 39.340 0.30 1 1186 . 120 PHE HB3 H 3.458 0.02 2 1187 . 120 PHE HB2 H 3.093 0.02 2 1188 . 120 PHE HD1 H 7.368 0.02 3 1189 . 120 PHE C C 177.660 0.30 1 1190 . 121 GLY H H 8.494 0.02 1 1191 . 121 GLY CA C 45.070 0.30 1 1192 . 121 GLY HA3 H 4.038 0.02 2 1193 . 121 GLY HA2 H 3.406 0.02 2 1194 . 121 GLY C C 175.200 0.30 1 1195 . 122 GLY N N 110.090 0.30 1 1196 . 122 GLY H H 9.017 0.02 1 1197 . 122 GLY CA C 44.220 0.30 1 1198 . 122 GLY HA3 H 4.488 0.02 2 1199 . 122 GLY HA2 H 3.692 0.02 2 1200 . 122 GLY C C 173.490 0.30 1 1201 . 123 SER N N 113.890 0.30 1 1202 . 123 SER H H 7.969 0.02 1 1203 . 123 SER CA C 57.320 0.30 1 1204 . 123 SER HA H 4.614 0.02 1 1205 . 123 SER CB C 65.610 0.30 1 1206 . 123 SER HB3 H 4.348 0.02 2 1207 . 123 SER HB2 H 4.097 0.02 2 1208 . 123 SER C C 175.830 0.30 1 1209 . 124 ILE N N 120.070 0.30 1 1210 . 124 ILE H H 8.634 0.02 1 1211 . 124 ILE CA C 62.100 0.30 1 1212 . 124 ILE HA H 3.742 0.02 1 1213 . 124 ILE CB C 37.480 0.30 1 1214 . 124 ILE HB H 1.397 0.02 1 1215 . 124 ILE CG1 C 29.660 0.30 2 1216 . 124 ILE HG13 H 1.385 0.02 1 1217 . 124 ILE HG12 H 1.104 0.02 1 1218 . 124 ILE CD1 C 14.820 0.30 1 1219 . 124 ILE HD1 H 0.885 0.02 1 1220 . 124 ILE CG2 C 18.230 0.30 2 1221 . 124 ILE HG2 H 0.896 0.02 1 1222 . 124 ILE C C 175.960 0.30 1 1223 . 125 ASP N N 121.370 0.30 1 1224 . 125 ASP H H 7.794 0.02 1 1225 . 125 ASP CA C 57.910 0.30 1 1226 . 125 ASP HA H 4.321 0.02 1 1227 . 125 ASP CB C 40.350 0.30 1 1228 . 125 ASP HB3 H 2.654 0.02 2 1229 . 125 ASP HB2 H 2.484 0.02 2 1230 . 125 ASP C C 178.810 0.30 1 1231 . 126 ILE N N 121.790 0.30 1 1232 . 126 ILE H H 7.589 0.02 1 1233 . 126 ILE CA C 62.940 0.30 1 1234 . 126 ILE HA H 4.063 0.02 1 1235 . 126 ILE CB C 36.480 0.30 1 1236 . 126 ILE HB H 2.155 0.02 1 1237 . 126 ILE CG1 C 28.640 0.30 2 1238 . 126 ILE HG13 H 1.562 0.02 1 1239 . 126 ILE HG12 H 1.487 0.02 1 1240 . 126 ILE CD1 C 11.080 0.30 1 1241 . 126 ILE HD1 H 0.837 0.02 1 1242 . 126 ILE CG2 C 17.580 0.30 2 1243 . 126 ILE HG2 H 1.013 0.02 1 1244 . 126 ILE C C 179.350 0.30 1 1245 . 127 TYR N N 123.120 0.30 1 1246 . 127 TYR H H 7.814 0.02 1 1247 . 127 TYR CA C 64.330 0.30 1 1248 . 127 TYR HA H 3.781 0.02 1 1249 . 127 TYR CB C 39.340 0.30 1 1250 . 127 TYR HB3 H 3.167 0.02 2 1251 . 127 TYR HB2 H 2.533 0.02 2 1252 . 127 TYR HD1 H 6.860 0.02 3 1253 . 127 TYR HD2 H 7.048 0.02 3 1254 . 127 TYR C C 178.960 0.30 1 1255 . 128 LYS N N 120.680 0.30 1 1256 . 128 LYS H H 8.582 0.02 1 1257 . 128 LYS CA C 61.480 0.30 1 1258 . 128 LYS HA H 3.715 0.02 1 1259 . 128 LYS CB C 32.290 0.30 1 1260 . 128 LYS HB3 H 1.979 0.02 2 1261 . 128 LYS CG C 25.330 0.30 1 1262 . 128 LYS HG3 H 1.646 0.02 2 1263 . 128 LYS HG2 H 1.523 0.02 2 1264 . 128 LYS CD C 29.450 0.30 1 1265 . 128 LYS HD3 H 1.711 0.02 2 1266 . 128 LYS CE C 42.280 0.30 1 1267 . 128 LYS HE3 H 3.020 0.02 2 1268 . 128 LYS C C 177.460 0.30 1 1269 . 129 GLN N N 120.350 0.30 1 1270 . 129 GLN H H 7.800 0.02 1 1271 . 129 GLN CA C 59.430 0.30 1 1272 . 129 GLN HA H 4.116 0.02 1 1273 . 129 GLN CB C 28.370 0.30 1 1274 . 129 GLN HB3 H 2.115 0.02 2 1275 . 129 GLN HB2 H 2.259 0.02 2 1276 . 129 GLN CG C 34.080 0.30 1 1277 . 129 GLN HG3 H 2.577 0.02 2 1278 . 129 GLN HG2 H 2.391 0.02 2 1279 . 129 GLN NE2 N 111.350 0.30 1 1280 . 129 GLN HE21 H 7.400 0.02 2 1281 . 129 GLN HE22 H 6.686 0.02 2 1282 . 129 GLN C C 179.780 0.30 1 1283 . 130 THR N N 119.960 0.30 1 1284 . 130 THR H H 8.376 0.02 1 1285 . 130 THR CA C 68.470 0.30 1 1286 . 130 THR HA H 3.843 0.02 1 1287 . 130 THR CB C 68.270 0.30 1 1288 . 130 THR HB H 3.987 0.02 1 1289 . 130 THR CG2 C 21.450 0.30 1 1290 . 130 THR HG2 H 1.148 0.02 1 1291 . 130 THR C C 175.680 0.30 1 1292 . 131 ARG N N 122.940 0.30 1 1293 . 131 ARG H H 8.480 0.02 1 1294 . 131 ARG CA C 59.800 0.30 1 1295 . 131 ARG HA H 3.686 0.02 1 1296 . 131 ARG CB C 29.560 0.30 1 1297 . 131 ARG HB3 H 2.554 0.02 2 1298 . 131 ARG HB2 H 1.786 0.02 2 1299 . 131 ARG CG C 25.550 0.30 1 1300 . 131 ARG HG2 H 1.647 0.02 2 1301 . 131 ARG CD C 43.600 0.30 1 1302 . 131 ARG HD2 H 3.228 0.02 2 1303 . 131 ARG C C 176.610 0.30 1 1304 . 132 ASP N N 120.390 0.30 1 1305 . 132 ASP H H 8.451 0.02 1 1306 . 132 ASP CA C 57.590 0.30 1 1307 . 132 ASP HA H 4.473 0.02 1 1308 . 132 ASP CB C 39.520 0.30 1 1309 . 132 ASP HB3 H 2.782 0.02 2 1310 . 132 ASP C C 178.951 0.30 1 1311 . 133 GLU N N 124.570 0.30 1 1312 . 133 GLU H H 8.238 0.02 1 1313 . 133 GLU CA C 59.620 0.30 1 1314 . 133 GLU HA H 4.142 0.02 1 1315 . 133 GLU CB C 30.120 0.30 1 1316 . 133 GLU HB3 H 2.347 0.02 2 1317 . 133 GLU HB2 H 2.187 0.02 2 1318 . 133 GLU CG C 37.120 0.30 1 1319 . 133 GLU HG3 H 2.060 0.02 2 1320 . 133 GLU HG2 H 2.359 0.02 2 1321 . 133 GLU C C 179.550 0.30 1 1322 . 134 LEU N N 118.390 0.30 1 1323 . 134 LEU H H 8.668 0.02 1 1324 . 134 LEU CA C 58.040 0.30 1 1325 . 134 LEU HA H 3.902 0.02 1 1326 . 134 LEU CB C 43.030 0.30 1 1327 . 134 LEU HB3 H 2.221 0.02 2 1328 . 134 LEU HB2 H 0.945 0.02 2 1329 . 134 LEU CG C 26.710 0.30 1 1330 . 134 LEU HG H 1.855 0.02 1 1331 . 134 LEU CD1 C 24.490 0.30 2 1332 . 134 LEU HD1 H 0.755 0.02 1 1333 . 134 LEU C C 178.350 0.30 1 1334 . 135 GLU N N 120.450 0.30 1 1335 . 135 GLU H H 9.269 0.02 1 1336 . 135 GLU CA C 61.370 0.30 1 1337 . 135 GLU HA H 3.650 0.02 1 1338 . 135 GLU CB C 29.740 0.30 1 1339 . 135 GLU HB3 H 2.244 0.02 2 1340 . 135 GLU CG C 37.160 0.30 1 1341 . 135 GLU HG3 H 2.244 0.02 2 1342 . 135 GLU C C 177.700 0.30 1 1343 . 136 GLU N N 117.790 0.30 1 1344 . 136 GLU H H 7.560 0.02 1 1345 . 136 GLU CA C 59.620 0.30 1 1346 . 136 GLU HA H 4.139 0.02 1 1347 . 136 GLU CB C 29.470 0.30 1 1348 . 136 GLU HB3 H 2.161 0.02 2 1349 . 136 GLU CG C 37.120 0.30 1 1350 . 136 GLU HG3 H 2.367 0.02 2 1351 . 136 GLU HG2 H 2.063 0.02 2 1352 . 136 GLU C C 180.010 0.30 1 1353 . 137 LEU N N 119.790 0.30 1 1354 . 137 LEU H H 7.722 0.02 1 1355 . 137 LEU CA C 57.960 0.30 1 1356 . 137 LEU HA H 4.130 0.02 1 1357 . 137 LEU CB C 43.400 0.30 1 1358 . 137 LEU HB3 H 2.079 0.02 2 1359 . 137 LEU HB2 H 1.167 0.02 2 1360 . 137 LEU CG C 27.190 0.30 1 1361 . 137 LEU HG H 2.033 0.02 1 1362 . 137 LEU CD1 C 26.820 0.30 2 1363 . 137 LEU HD1 H 0.889 0.02 1 1364 . 137 LEU CD2 C 24.460 0.30 2 1365 . 137 LEU HD2 H 0.684 0.02 1 1366 . 137 LEU C C 179.180 0.30 1 1367 . 138 LEU N N 120.050 0.30 1 1368 . 138 LEU H H 9.128 0.02 1 1369 . 138 LEU CA C 57.020 0.30 1 1370 . 138 LEU HA H 4.209 0.02 1 1371 . 138 LEU CB C 41.780 0.30 1 1372 . 138 LEU HB3 H 1.996 0.02 2 1373 . 138 LEU HB2 H 1.578 0.02 2 1374 . 138 LEU CG C 26.990 0.30 1 1375 . 138 LEU HG H 1.221 0.02 1 1376 . 138 LEU HD1 H 0.856 0.02 1 1377 . 138 LEU HD2 H 0.695 0.02 1 1378 . 138 LEU C C 179.480 0.30 1 1379 . 139 ARG N N 122.780 0.30 1 1380 . 139 ARG H H 8.734 0.02 1 1381 . 139 ARG CA C 60.550 0.30 1 1382 . 139 ARG HA H 4.146 0.02 1 1383 . 139 ARG CB C 30.300 0.30 1 1384 . 139 ARG HB3 H 2.067 0.02 2 1385 . 139 ARG HB2 H 1.932 0.02 2 1386 . 139 ARG CG C 28.920 0.30 1 1387 . 139 ARG HG3 H 1.633 0.02 2 1388 . 139 ARG HG2 H 2.020 0.02 2 1389 . 139 ARG CD C 43.580 0.30 1 1390 . 139 ARG HD3 H 3.234 0.02 2 1391 . 139 ARG C C 179.830 0.30 1 1392 . 140 GLN N N 119.470 0.30 1 1393 . 140 GLN H H 7.360 0.02 1 1394 . 140 GLN CA C 59.060 0.30 1 1395 . 140 GLN HA H 4.142 0.02 1 1396 . 140 GLN CB C 28.370 0.30 1 1397 . 140 GLN HB3 H 2.285 0.02 2 1398 . 140 GLN HB2 H 2.158 0.02 2 1399 . 140 GLN CG C 34.080 0.30 1 1400 . 140 GLN HG3 H 2.579 0.02 2 1401 . 140 GLN HG2 H 2.421 0.02 2 1402 . 140 GLN NE2 N 111.810 0.30 1 1403 . 140 GLN HE21 H 7.444 0.02 2 1404 . 140 GLN HE22 H 6.783 0.02 2 1405 . 140 GLN C C 178.840 0.30 1 1406 . 141 LEU N N 122.510 0.30 1 1407 . 141 LEU H H 8.671 0.02 1 1408 . 141 LEU CA C 58.010 0.30 1 1409 . 141 LEU HA H 4.279 0.02 1 1410 . 141 LEU CB C 41.550 0.30 1 1411 . 141 LEU HB3 H 2.279 0.02 2 1412 . 141 LEU HB2 H 1.490 0.02 2 1413 . 141 LEU CG C 26.320 0.30 1 1414 . 141 LEU HG H 0.204 0.02 1 1415 . 141 LEU CD1 C 23.320 0.30 2 1416 . 141 LEU HD1 H 0.877 0.02 1 1417 . 141 LEU C C 177.970 0.30 1 1418 . 142 ALA N N 119.280 0.30 1 1419 . 142 ALA H H 8.387 0.02 1 1420 . 142 ALA CA C 55.570 0.30 1 1421 . 142 ALA HA H 4.073 0.02 1 1422 . 142 ALA CB C 18.500 0.30 1 1423 . 142 ALA HB H 1.493 0.02 1 1424 . 142 ALA C C 178.700 0.30 1 1425 . 143 LYS N N 115.840 0.30 1 1426 . 143 LYS H H 7.414 0.02 1 1427 . 143 LYS CA C 59.440 0.30 1 1428 . 143 LYS HA H 3.959 0.02 1 1429 . 143 LYS CB C 32.520 0.30 1 1430 . 143 LYS HB3 H 1.950 0.02 2 1431 . 143 LYS HB2 H 2.010 0.02 2 1432 . 143 LYS CG C 25.230 0.30 1 1433 . 143 LYS HG3 H 1.644 0.02 2 1434 . 143 LYS HG2 H 1.512 0.02 2 1435 . 143 LYS CD C 29.290 0.30 1 1436 . 143 LYS HD3 H 1.697 0.02 2 1437 . 143 LYS CE C 42.300 0.30 1 1438 . 143 LYS HE3 H 3.001 0.02 2 1439 . 143 LYS C C 179.640 0.30 1 1440 . 144 GLN N N 120.540 0.30 1 1441 . 144 GLN H H 8.224 0.02 1 1442 . 144 GLN CA C 58.880 0.30 1 1443 . 144 GLN HA H 4.063 0.02 1 1444 . 144 GLN CB C 28.830 0.30 1 1445 . 144 GLN HB3 H 2.374 0.02 2 1446 . 144 GLN HB2 H 2.200 0.02 2 1447 . 144 GLN CG C 34.000 0.30 1 1448 . 144 GLN HG3 H 2.389 0.02 2 1449 . 144 GLN HG2 H 2.470 0.02 2 1450 . 144 GLN NE2 N 109.280 0.30 1 1451 . 144 GLN HE21 H 7.076 0.02 2 1452 . 144 GLN HE22 H 6.470 0.02 2 1453 . 144 GLN C C 178.870 0.30 1 1454 . 145 LEU N N 118.730 0.30 1 1455 . 145 LEU H H 8.275 0.02 1 1456 . 145 LEU CA C 56.670 0.30 1 1457 . 145 LEU HA H 4.254 0.02 1 1458 . 145 LEU CB C 42.080 0.30 1 1459 . 145 LEU HB3 H 1.943 0.02 2 1460 . 145 LEU HB2 H 1.536 0.02 2 1461 . 145 LEU CG C 26.980 0.30 1 1462 . 145 LEU HG H 2.049 0.02 1 1463 . 145 LEU CD1 C 26.800 0.30 2 1464 . 145 LEU HD1 H 0.888 0.02 1 1465 . 145 LEU CD2 C 22.370 0.30 2 1466 . 145 LEU HD2 H 0.908 0.02 1 1467 . 145 LEU C C 178.770 0.30 1 1468 . 146 LYS N N 119.550 0.30 1 1469 . 146 LYS H H 7.737 0.02 1 1470 . 146 LYS CA C 57.960 0.30 1 1471 . 146 LYS HA H 4.093 0.02 1 1472 . 146 LYS CB C 32.800 0.30 1 1473 . 146 LYS HB3 H 1.994 0.02 2 1474 . 146 LYS HB2 H 1.890 0.02 2 1475 . 146 LYS CG C 25.230 0.30 1 1476 . 146 LYS HG3 H 1.646 0.02 2 1477 . 146 LYS HG2 H 1.541 0.02 2 1478 . 146 LYS CD C 29.660 0.30 1 1479 . 146 LYS HD3 H 1.769 0.02 2 1480 . 146 LYS CE C 42.200 0.30 1 1481 . 146 LYS HE3 H 3.061 0.02 2 1482 . 146 LYS C C 177.420 0.30 1 1483 . 147 LYS N N 120.270 0.30 1 1484 . 147 LYS H H 7.667 0.02 1 1485 . 147 LYS CA C 57.580 0.30 1 1486 . 147 LYS HA H 4.218 0.02 1 1487 . 147 LYS CB C 32.700 0.30 1 1488 . 147 LYS HB3 H 1.913 0.02 2 1489 . 147 LYS CG C 24.860 0.30 1 1490 . 147 LYS HG3 H 1.548 0.02 2 1491 . 147 LYS CD C 29.290 0.30 1 1492 . 147 LYS HD3 H 1.704 0.02 2 1493 . 147 LYS CE C 42.190 0.30 1 1494 . 147 LYS HE3 H 3.015 0.02 2 1495 . 147 LYS C C 176.730 0.30 1 1496 . 148 ASP N N 120.380 0.30 1 1497 . 148 ASP H H 8.048 0.02 1 1498 . 148 ASP CA C 54.830 0.30 1 1499 . 148 ASP HA H 4.630 0.02 1 1500 . 148 ASP CB C 41.370 0.30 1 1501 . 148 ASP HB3 H 2.782 0.02 2 1502 . 148 ASP HB2 H 2.640 0.02 2 1503 . 148 ASP C C 175.950 0.30 1 1504 . 149 ARG N N 121.520 0.30 1 1505 . 149 ARG H H 8.034 0.02 1 1506 . 149 ARG CA C 56.120 0.30 1 1507 . 149 ARG HA H 4.363 0.02 1 1508 . 149 ARG CB C 30.300 0.30 1 1509 . 149 ARG HB3 H 1.959 0.02 2 1510 . 149 ARG HB2 H 1.827 0.02 2 1511 . 149 ARG CG C 26.980 0.30 1 1512 . 149 ARG HG3 H 1.690 0.02 2 1513 . 149 ARG CD C 43.580 0.30 1 1514 . 149 ARG HD3 H 3.231 0.02 2 1515 . 149 ARG C C 175.440 0.30 1 1516 . 150 ARG N N 127.980 0.30 1 1517 . 150 ARG H H 7.989 0.02 1 1518 . 150 ARG CA C 57.500 0.30 1 1519 . 150 ARG HA H 4.171 0.02 1 1520 . 150 ARG CB C 31.450 0.30 1 1521 . 150 ARG HB3 H 1.901 0.02 2 1522 . 150 ARG HB2 H 1.742 0.02 2 1523 . 150 ARG CG C 27.260 0.30 1 1524 . 150 ARG HG3 H 1.636 0.02 2 1525 . 150 ARG CD C 43.580 0.30 1 1526 . 150 ARG HD3 H 3.220 0.02 2 1527 . 150 ARG C C 181.210 0.30 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 319 107 '333,108' stop_ save_