data_7220 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ephrinB2 ectodomain ; _BMRB_accession_number 7220 _BMRB_flat_file_name bmr7220.str _Entry_type original _Submission_date 2006-07-10 _Accession_date 2006-07-11 _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 Ran Xiaoyuan . . 2 Fan Jingsong . . 3 Song Jianxing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 674 "13C chemical shifts" 561 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB 'complete entry citation' 2006-11-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of Human ephrinB2 ectodomain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17061024 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ran Xiaoyuan . . 2 Fan Jing-song . . 3 Song Jianxing . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 38 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 171 _Page_last 171 _Year 2007 _Details . loop_ _Keyword ectodomain NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ephrinB2 ectodomain monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ephrinB2 ectodomain monomer' $ephrinB2_ectodomain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ephrinB2_ectodomain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ephrinB2 ectodomain' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; SKSIVLEPIYWNSSNSKFLP GQGLVLYPQIGDKLDIICPK VDSKTVGQYEYYKVYMVDKD QADRCTIKKENTPLLNCAKP DQDIKFTIKFQEFSPNLWGL EFQKNKDYYIISTSNGSLEG LDNQEGGVCQTRAMKILMKV GQDASSAGSTR ; loop_ _Residue_seq_code _Residue_label 1 SER 2 LYS 3 SER 4 ILE 5 VAL 6 LEU 7 GLU 8 PRO 9 ILE 10 TYR 11 TRP 12 ASN 13 SER 14 SER 15 ASN 16 SER 17 LYS 18 PHE 19 LEU 20 PRO 21 GLY 22 GLN 23 GLY 24 LEU 25 VAL 26 LEU 27 TYR 28 PRO 29 GLN 30 ILE 31 GLY 32 ASP 33 LYS 34 LEU 35 ASP 36 ILE 37 ILE 38 CYS 39 PRO 40 LYS 41 VAL 42 ASP 43 SER 44 LYS 45 THR 46 VAL 47 GLY 48 GLN 49 TYR 50 GLU 51 TYR 52 TYR 53 LYS 54 VAL 55 TYR 56 MET 57 VAL 58 ASP 59 LYS 60 ASP 61 GLN 62 ALA 63 ASP 64 ARG 65 CYS 66 THR 67 ILE 68 LYS 69 LYS 70 GLU 71 ASN 72 THR 73 PRO 74 LEU 75 LEU 76 ASN 77 CYS 78 ALA 79 LYS 80 PRO 81 ASP 82 GLN 83 ASP 84 ILE 85 LYS 86 PHE 87 THR 88 ILE 89 LYS 90 PHE 91 GLN 92 GLU 93 PHE 94 SER 95 PRO 96 ASN 97 LEU 98 TRP 99 GLY 100 LEU 101 GLU 102 PHE 103 GLN 104 LYS 105 ASN 106 LYS 107 ASP 108 TYR 109 TYR 110 ILE 111 ILE 112 SER 113 THR 114 SER 115 ASN 116 GLY 117 SER 118 LEU 119 GLU 120 GLY 121 LEU 122 ASP 123 ASN 124 GLN 125 GLU 126 GLY 127 GLY 128 VAL 129 CYS 130 GLN 131 THR 132 ARG 133 ALA 134 MET 135 LYS 136 ILE 137 LEU 138 MET 139 LYS 140 VAL 141 GLY 142 GLN 143 ASP 144 ALA 145 SER 146 SER 147 ALA 148 GLY 149 SER 150 THR 151 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 1IKO "Crystal Structure Of The Murine Ephrin-B2 Ectodomain" 98.68 178 97.99 99.33 1.29e-103 PDB 1KGY "Crystal Structure Of The Ephb2-Ephrinb2 Complex" 91.39 138 97.83 99.28 1.13e-94 PDB 2HLE "Structural And Biophysical Characterization Of The Ephb4-ephrinb2 Protein Protein Interaction And Receptor Specificity" 91.39 138 98.55 100.00 1.02e-95 PDB 2I85 "Nmr Solution Structure Of Human Ephrinb2 Ectodomain" 94.04 142 100.00 100.00 7.65e-99 PDB 2VSK "Hendra Virus Attachment Glycoprotein In Complex With Human Cell Surface Receptor Ephrinb2" 91.39 138 100.00 100.00 3.70e-96 PDB 2VSM "Nipah Virus Attachment Glycoprotein In Complex With Human Cell Surface Receptor Ephrinb2" 92.05 140 99.28 99.28 1.72e-96 PDB 2WO2 "Crystal Structure Of The Epha4-Ephrinb2 Complex" 94.70 153 98.60 99.30 1.55e-99 PDB 3GXU "Crystal Structure Of Eph Receptor And Ephrin Complex" 94.70 143 100.00 100.00 7.31e-100 DBJ BAE21211 "unnamed protein product [Mus musculus]" 100.00 386 97.35 99.34 2.44e-102 DBJ BAE21388 "unnamed protein product [Mus musculus]" 100.00 336 97.35 99.34 2.96e-103 DBJ BAE22016 "unnamed protein product [Mus musculus]" 100.00 336 97.35 99.34 2.96e-103 DBJ BAE24974 "unnamed protein product [Mus musculus]" 100.00 336 97.35 99.34 2.96e-103 DBJ BAE25008 "unnamed protein product [Mus musculus]" 100.00 336 97.35 99.34 2.96e-103 EMBL CAJ18588 "Efnb2 [Mus musculus]" 100.00 336 97.35 99.34 2.96e-103 GB AAA82934 "ELF-2 precursor [Mus musculus]" 100.00 334 97.35 99.34 2.93e-103 GB AAA99707 "LERK-5 [Homo sapiens]" 100.00 333 100.00 100.00 2.02e-104 GB AAA99708 "LERK-5 [Mus musculus]" 100.00 336 98.01 100.00 6.17e-104 GB AAC41752 "hepatoma transmembrane kinase ligand [Homo sapiens]" 100.00 333 100.00 100.00 2.02e-104 GB AAC42052 "hepatoma transmembrane kinase ligand [Mus musculus]" 100.00 336 97.35 99.34 2.96e-103 PRF 2108400A "htk ligand" 100.00 336 97.35 99.34 2.96e-103 PRF 2108400B "htk ligand" 100.00 333 100.00 100.00 2.02e-104 REF NP_001100798 "ephrin-B2 [Rattus norvegicus]" 100.00 336 97.35 100.00 2.86e-103 REF NP_001107758 "ephrin-B2 [Sus scrofa]" 100.00 333 97.35 100.00 1.19e-103 REF NP_004084 "ephrin-B2 precursor [Homo sapiens]" 100.00 333 100.00 100.00 2.02e-104 REF NP_034241 "ephrin-B2 precursor [Mus musculus]" 100.00 336 97.35 99.34 2.96e-103 REF XP_001134800 "PREDICTED: ephrin-B2 [Pan troglodytes]" 100.00 333 100.00 100.00 2.02e-104 SP P52799 "RecName: Full=Ephrin-B2; AltName: Full=EPH-related receptor tyrosine kinase ligand 5; Short=LERK-5; AltName: Full=HTK ligand; S" 100.00 333 100.00 100.00 2.02e-104 SP P52800 "RecName: Full=Ephrin-B2; AltName: Full=ELF-2; AltName: Full=EPH-related receptor tyrosine kinase ligand 5; Short=LERK-5; AltNam" 100.00 336 97.35 99.34 2.96e-103 TPG DAA23728 "TPA: ephrin-B2-like [Bos taurus]" 88.74 472 97.76 100.00 1.85e-91 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ephrinB2_ectodomain 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 $ephrinB2_ectodomain 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ephrinB2_ectodomain 0.5 mM '[U-13C; U-15N]' 'phosphate buffer' 20 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_HSQC-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC-TOCSY _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_(H)CC(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH _Sample_label $sample_1 save_ save_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label $sample_1 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HSQC-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HSQC-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_(H)CC(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_H(CCO)NH _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 pH temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'ephrinB2 ectodomain 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 1 SER H H 8.503 0.05 1 2 1 1 SER HA H 4.450 0.05 1 3 1 1 SER HB2 H 3.870 0.05 2 4 1 1 SER C C 171.570 0.1 1 5 1 1 SER CA C 59.110 0.1 1 6 1 1 SER CB C 64.200 0.1 1 7 1 1 SER N N 118.380 0.1 1 8 2 2 LYS H H 8.340 0.05 1 9 2 2 LYS HA H 4.390 0.05 1 10 2 2 LYS HB2 H 1.723 0.05 2 11 2 2 LYS HB3 H 1.858 0.05 2 12 2 2 LYS HG2 H 1.430 0.05 2 13 2 2 LYS HD2 H 1.650 0.05 2 14 2 2 LYS HE2 H 2.970 0.05 2 15 2 2 LYS C C 173.550 0.1 1 16 2 2 LYS CA C 56.380 0.1 1 17 2 2 LYS CB C 33.580 0.1 1 18 2 2 LYS CG C 24.900 0.1 1 19 2 2 LYS CD C 29.600 0.1 1 20 2 2 LYS CE C 42.890 0.1 1 21 2 2 LYS N N 123.460 0.1 1 22 3 3 SER H H 8.310 0.05 1 23 3 3 SER HA H 4.460 0.05 1 24 3 3 SER HB2 H 3.730 0.05 2 25 3 3 SER C C 171.320 0.1 1 26 3 3 SER CA C 58.940 0.1 1 27 3 3 SER CB C 64.300 0.1 1 28 3 3 SER N N 118.180 0.1 1 29 4 4 ILE H H 8.424 0.05 1 30 4 4 ILE HA H 4.320 0.05 1 31 4 4 ILE HB H 2.010 0.05 1 32 4 4 ILE HG12 H 1.160 0.05 1 33 4 4 ILE HG13 H 1.360 0.05 1 34 4 4 ILE HG2 H 0.830 0.05 1 35 4 4 ILE HD1 H 0.830 0.05 1 36 4 4 ILE C C 172.470 0.1 1 37 4 4 ILE CA C 60.800 0.1 1 38 4 4 ILE CB C 39.800 0.1 1 39 4 4 ILE CG1 C 27.240 0.1 2 40 4 4 ILE CG2 C 18.060 0.1 1 41 4 4 ILE CD1 C 13.200 0.1 1 42 4 4 ILE N N 123.050 0.1 1 43 5 5 VAL H H 8.140 0.05 1 44 5 5 VAL HA H 4.230 0.05 1 45 5 5 VAL HB H 1.980 0.05 1 46 5 5 VAL HG1 H 0.902 0.05 2 47 5 5 VAL CA C 62.230 0.1 1 48 5 5 VAL CB C 32.230 0.1 1 49 5 5 VAL CG1 C 22.070 0.1 1 50 5 5 VAL N N 124.860 0.1 1 51 6 6 LEU H H 8.757 0.05 1 52 6 6 LEU HA H 4.290 0.05 1 53 6 6 LEU HB2 H 1.860 0.05 2 54 6 6 LEU HG H 1.580 0.05 1 55 6 6 LEU HD2 H 0.850 0.05 2 56 6 6 LEU C C 173.460 0.1 1 57 6 6 LEU CA C 55.450 0.1 1 58 6 6 LEU CB C 42.680 0.1 1 59 6 6 LEU CG C 29.050 0.1 1 60 6 6 LEU CD1 C 26.260 0.1 1 61 6 6 LEU CD2 C 23.840 0.1 1 62 6 6 LEU N N 129.090 0.1 1 63 7 7 GLU H H 8.250 0.05 1 64 7 7 GLU HA H 4.360 0.05 1 65 7 7 GLU HB2 H 1.928 0.05 2 66 7 7 GLU HB3 H 2.000 0.05 2 67 7 7 GLU HG2 H 2.390 0.05 2 68 7 7 GLU C C 170.780 0.1 1 69 7 7 GLU CA C 55.140 0.1 1 70 7 7 GLU CB C 29.400 0.1 1 71 7 7 GLU CG C 36.500 0.1 1 72 7 7 GLU N N 123.080 0.1 1 73 9 9 ILE H H 8.580 0.05 1 74 9 9 ILE HA H 4.085 0.05 1 75 9 9 ILE HB H 2.020 0.05 1 76 9 9 ILE HG12 H 1.500 0.05 1 77 9 9 ILE HG13 H 1.310 0.05 1 78 9 9 ILE HG2 H 0.710 0.05 1 79 9 9 ILE HD1 H 0.780 0.05 1 80 9 9 ILE C C 172.100 0.1 1 81 9 9 ILE CA C 58.900 0.1 1 82 9 9 ILE CB C 39.200 0.1 1 83 9 9 ILE CG1 C 27.200 0.1 2 84 9 9 ILE CG2 C 17.560 0.1 1 85 9 9 ILE CD1 C 13.400 0.1 1 86 9 9 ILE N N 120.880 0.1 1 87 10 10 TYR H H 8.020 0.05 1 88 10 10 TYR HA H 5.050 0.05 1 89 10 10 TYR HB2 H 2.690 0.05 2 90 10 10 TYR HB3 H 2.920 0.05 2 91 10 10 TYR CA C 57.800 0.1 1 92 10 10 TYR CB C 38.300 0.1 1 93 10 10 TYR N N 126.490 0.1 1 94 11 11 TRP H H 9.540 0.05 1 95 11 11 TRP HA H 4.040 0.05 1 96 11 11 TRP HB2 H 3.590 0.05 2 97 11 11 TRP HB3 H 2.440 0.05 2 98 11 11 TRP CA C 57.300 0.1 1 99 11 11 TRP CB C 26.020 0.1 1 100 11 11 TRP N N 131.280 0.1 1 101 12 12 ASN H H 7.260 0.05 1 102 12 12 ASN HA H 4.600 0.05 1 103 12 12 ASN HB2 H 2.580 0.05 2 104 12 12 ASN HB3 H 2.860 0.05 2 105 12 12 ASN HD21 H 8.394 0.05 2 106 12 12 ASN HD22 H 6.950 0.05 2 107 12 12 ASN CA C 53.400 0.1 1 108 12 12 ASN CB C 42.200 0.1 1 109 12 12 ASN N N 119.960 0.1 1 110 12 12 ASN ND2 N 114.710 0.1 1 111 13 13 SER H H 10.360 0.05 1 112 13 13 SER C C 172.510 0.1 1 113 13 13 SER N N 121.700 0.1 1 114 14 14 SER H H 8.340 0.05 1 115 14 14 SER C C 171.570 0.1 1 116 14 14 SER CA C 59.650 0.1 1 117 14 14 SER CB C 64.030 0.1 1 118 14 14 SER N N 117.670 0.1 1 119 15 15 ASN H H 7.710 0.05 1 120 15 15 ASN HA H 4.660 0.05 1 121 15 15 ASN HB2 H 3.050 0.05 2 122 15 15 ASN HB3 H 3.560 0.05 2 123 15 15 ASN C C 173.840 0.1 1 124 15 15 ASN CA C 53.840 0.1 1 125 15 15 ASN CB C 38.280 0.1 1 126 15 15 ASN N N 120.590 0.1 1 127 16 16 SER H H 8.720 0.05 1 128 16 16 SER HA H 4.370 0.05 1 129 16 16 SER HB2 H 4.070 0.05 2 130 16 16 SER HB3 H 3.830 0.05 2 131 16 16 SER C C 172.680 0.1 1 132 16 16 SER CA C 60.100 0.1 1 133 16 16 SER CB C 63.670 0.1 1 134 16 16 SER N N 124.240 0.1 1 135 17 17 LYS H H 8.380 0.05 1 136 17 17 LYS HA H 4.010 0.05 1 137 17 17 LYS HB2 H 1.768 0.05 2 138 17 17 LYS HB3 H 1.835 0.05 2 139 17 17 LYS HG2 H 1.667 0.05 2 140 17 17 LYS HE2 H 2.980 0.05 2 141 17 17 LYS C C 174.410 0.1 1 142 17 17 LYS CA C 58.620 0.1 1 143 17 17 LYS CB C 32.560 0.1 1 144 17 17 LYS CG C 29.400 0.1 1 145 17 17 LYS CD C 29.800 0.1 1 146 17 17 LYS CE C 42.700 0.1 1 147 17 17 LYS N N 119.960 0.1 1 148 18 18 PHE H H 6.726 0.05 1 149 18 18 PHE HA H 4.130 0.05 1 150 18 18 PHE HB2 H 2.820 0.05 2 151 18 18 PHE HB3 H 3.030 0.05 2 152 18 18 PHE C C 174.120 0.1 1 153 18 18 PHE CA C 57.600 0.1 1 154 18 18 PHE CB C 37.380 0.1 1 155 18 18 PHE N N 115.100 0.1 1 156 19 19 LEU H H 7.620 0.05 1 157 19 19 LEU HA H 4.560 0.05 1 158 19 19 LEU HB2 H 1.850 0.05 2 159 19 19 LEU C C 171.900 0.1 1 160 19 19 LEU CA C 58.960 0.1 1 161 19 19 LEU CB C 45.690 0.1 1 162 19 19 LEU N N 127.790 0.1 1 163 21 21 GLY H H 8.680 0.05 1 164 21 21 GLY HA2 H 4.120 0.05 2 165 21 21 GLY HA3 H 3.850 0.05 2 166 21 21 GLY C C 171.280 0.1 1 167 21 21 GLY CA C 46.490 0.1 1 168 21 21 GLY N N 112.850 0.1 1 169 22 22 GLN H H 7.990 0.05 1 170 22 22 GLN HA H 4.550 0.05 1 171 22 22 GLN HB2 H 1.930 0.05 2 172 22 22 GLN HB3 H 2.050 0.05 2 173 22 22 GLN HG2 H 2.230 0.05 2 174 22 22 GLN HG3 H 2.340 0.05 2 175 22 22 GLN HE21 H 6.930 0.05 2 176 22 22 GLN HE22 H 7.590 0.05 2 177 22 22 GLN C C 173.050 0.1 1 178 22 22 GLN CA C 56.980 0.1 1 179 22 22 GLN CB C 33.760 0.1 1 180 22 22 GLN CG C 34.630 0.1 1 181 22 22 GLN N N 118.660 0.1 1 182 22 22 GLN NE2 N 112.590 0.1 1 183 23 23 GLY H H 9.440 0.05 1 184 23 23 GLY HA2 H 4.630 0.05 2 185 23 23 GLY HA3 H 4.560 0.05 2 186 23 23 GLY C C 170.590 0.1 1 187 23 23 GLY CA C 46.200 0.1 1 188 23 23 GLY N N 110.590 0.1 1 189 24 24 LEU H H 9.020 0.05 1 190 24 24 LEU HA H 4.795 0.05 1 191 24 24 LEU HB2 H 0.950 0.05 2 192 24 24 LEU HB3 H 1.690 0.05 2 193 24 24 LEU HG H 1.300 0.05 1 194 24 24 LEU HD1 H 0.534 0.05 2 195 24 24 LEU HD2 H 0.510 0.05 2 196 24 24 LEU C C 171.890 0.1 1 197 24 24 LEU CA C 54.820 0.1 1 198 24 24 LEU CB C 45.790 0.1 1 199 24 24 LEU CG C 28.170 0.1 1 200 24 24 LEU CD1 C 26.360 0.1 1 201 24 24 LEU CD2 C 25.500 0.1 1 202 24 24 LEU N N 128.250 0.1 1 203 25 25 VAL H H 8.426 0.05 1 204 25 25 VAL HA H 4.930 0.05 1 205 25 25 VAL HB H 1.950 0.05 1 206 25 25 VAL HG1 H 0.930 0.05 2 207 25 25 VAL HG2 H 0.660 0.05 2 208 25 25 VAL C C 171.850 0.1 1 209 25 25 VAL CA C 61.880 0.1 1 210 25 25 VAL CB C 33.270 0.1 1 211 25 25 VAL CG1 C 20.980 0.1 1 212 25 25 VAL CG2 C 18.790 0.1 1 213 25 25 VAL N N 127.700 0.1 1 214 26 26 LEU H H 8.910 0.05 1 215 26 26 LEU HA H 4.690 0.05 1 216 26 26 LEU HB2 H 1.296 0.05 2 217 26 26 LEU HG H 1.360 0.05 1 218 26 26 LEU HD1 H 0.880 0.05 2 219 26 26 LEU HD2 H 0.780 0.05 2 220 26 26 LEU C C 171.730 0.1 1 221 26 26 LEU CA C 53.300 0.1 1 222 26 26 LEU CB C 48.300 0.1 1 223 26 26 LEU CG C 27.320 0.1 1 224 26 26 LEU CD1 C 24.220 0.1 1 225 26 26 LEU CD2 C 27.320 0.1 1 226 26 26 LEU N N 126.480 0.1 1 227 27 27 TYR H H 8.806 0.05 1 228 27 27 TYR HA H 4.790 0.05 1 229 27 27 TYR HB2 H 3.070 0.05 2 230 27 27 TYR HB3 H 2.690 0.05 2 231 27 27 TYR C C 171.040 0.1 1 232 27 27 TYR CA C 55.450 0.1 1 233 27 27 TYR CB C 38.200 0.1 1 234 27 27 TYR N N 120.080 0.1 1 235 28 28 PRO HA H 4.230 0.05 1 236 28 28 PRO C C 172.060 0.1 1 237 28 28 PRO CA C 62.330 0.1 1 238 28 28 PRO CB C 31.130 0.1 1 239 28 28 PRO CG C 28.940 0.1 1 240 29 29 GLN H H 9.260 0.05 1 241 29 29 GLN HA H 4.200 0.05 1 242 29 29 GLN HB2 H 1.860 0.05 2 243 29 29 GLN HB3 H 2.160 0.05 2 244 29 29 GLN HG2 H 2.435 0.05 2 245 29 29 GLN HE21 H 7.242 0.05 2 246 29 29 GLN HE22 H 6.965 0.05 2 247 29 29 GLN C C 173.090 0.1 1 248 29 29 GLN CA C 52.680 0.1 1 249 29 29 GLN CB C 29.800 0.1 1 250 29 29 GLN CG C 34.600 0.1 1 251 29 29 GLN N N 121.030 0.1 1 252 29 29 GLN NE2 N 115.885 0.1 1 253 30 30 ILE H H 8.540 0.05 1 254 30 30 ILE HA H 3.940 0.05 1 255 30 30 ILE HB H 2.020 0.05 1 256 30 30 ILE HG2 H 1.050 0.05 1 257 30 30 ILE HD1 H 0.450 0.05 1 258 30 30 ILE C C 175.650 0.1 1 259 30 30 ILE CA C 60.630 0.1 1 260 30 30 ILE CB C 34.480 0.1 1 261 30 30 ILE CG2 C 17.750 0.1 1 262 30 30 ILE CD1 C 8.760 0.1 1 263 30 30 ILE N N 120.310 0.1 1 264 31 31 GLY H H 9.280 0.05 1 265 31 31 GLY HA2 H 3.620 0.05 2 266 31 31 GLY HA3 H 4.570 0.05 2 267 31 31 GLY C C 171.730 0.1 1 268 31 31 GLY CA C 44.900 0.1 1 269 31 31 GLY N N 118.340 0.1 1 270 32 32 ASP H H 8.230 0.05 1 271 32 32 ASP HA H 5.060 0.05 1 272 32 32 ASP HB2 H 2.670 0.05 2 273 32 32 ASP HB3 H 2.920 0.05 2 274 32 32 ASP C C 172.760 0.1 1 275 32 32 ASP CA C 55.400 0.1 1 276 32 32 ASP CB C 42.380 0.1 1 277 32 32 ASP N N 122.460 0.1 1 278 33 33 LYS H H 8.278 0.05 1 279 33 33 LYS HA H 5.440 0.05 1 280 33 33 LYS HB2 H 1.568 0.05 2 281 33 33 LYS HB3 H 1.704 0.05 2 282 33 33 LYS HG2 H 1.382 0.05 2 283 33 33 LYS HG3 H 1.319 0.05 2 284 33 33 LYS HD2 H 1.520 0.05 2 285 33 33 LYS HD3 H 1.566 0.05 2 286 33 33 LYS HE2 H 2.840 0.05 2 287 33 33 LYS C C 171.040 0.1 1 288 33 33 LYS CA C 55.560 0.1 1 289 33 33 LYS CB C 37.070 0.1 1 290 33 33 LYS CG C 25.160 0.1 1 291 33 33 LYS CD C 30.400 0.1 1 292 33 33 LYS CE C 42.050 0.1 1 293 33 33 LYS N N 118.400 0.1 1 294 34 34 LEU H H 8.790 0.05 1 295 34 34 LEU HA H 4.670 0.05 1 296 34 34 LEU HB2 H 1.770 0.05 2 297 34 34 LEU HB3 H 1.495 0.05 2 298 34 34 LEU HD1 H 0.807 0.05 2 299 34 34 LEU HD2 H 0.917 0.05 2 300 34 34 LEU C C 170.590 0.1 1 301 34 34 LEU CA C 54.090 0.1 1 302 34 34 LEU CB C 48.800 0.1 1 303 34 34 LEU CG C 27.860 0.1 1 304 34 34 LEU N N 122.640 0.1 1 305 35 35 ASP H H 8.870 0.05 1 306 35 35 ASP HA H 5.420 0.05 1 307 35 35 ASP HB2 H 2.060 0.05 2 308 35 35 ASP HB3 H 2.470 0.05 2 309 35 35 ASP C C 172.020 0.1 1 310 35 35 ASP CA C 53.400 0.1 1 311 35 35 ASP CB C 42.570 0.1 1 312 35 35 ASP N N 127.070 0.1 1 313 36 36 ILE H H 8.805 0.05 1 314 36 36 ILE HA H 4.860 0.05 1 315 36 36 ILE HB H 1.740 0.05 1 316 36 36 ILE HG12 H 1.050 0.05 1 317 36 36 ILE HG13 H 1.630 0.05 1 318 36 36 ILE HG2 H 0.915 0.05 1 319 36 36 ILE HD1 H 0.736 0.05 1 320 36 36 ILE C C 172.350 0.1 1 321 36 36 ILE CA C 60.620 0.1 1 322 36 36 ILE CB C 39.800 0.1 1 323 36 36 ILE CG1 C 27.900 0.1 2 324 36 36 ILE CG2 C 18.900 0.1 1 325 36 36 ILE CD1 C 14.350 0.1 1 326 36 36 ILE N N 121.270 0.1 1 327 37 37 ILE H H 8.750 0.05 1 328 37 37 ILE HA H 5.020 0.05 1 329 37 37 ILE HB H 1.230 0.05 1 330 37 37 ILE HG12 H 0.710 0.05 1 331 37 37 ILE HG13 H 1.200 0.05 1 332 37 37 ILE HD1 H 0.606 0.05 1 333 37 37 ILE C C 173.690 0.1 1 334 37 37 ILE CA C 60.280 0.1 1 335 37 37 ILE CB C 43.210 0.1 1 336 37 37 ILE CG1 C 28.070 0.1 2 337 37 37 ILE CD1 C 14.670 0.1 1 338 37 37 ILE N N 124.330 0.1 1 339 38 38 CYS H H 9.650 0.05 1 340 38 38 CYS HA H 5.000 0.05 1 341 38 38 CYS CA C 51.600 0.1 1 342 38 38 CYS N N 127.130 0.1 1 343 39 39 PRO HA H 4.700 0.05 1 344 39 39 PRO HB2 H 2.350 0.05 2 345 39 39 PRO HG2 H 2.090 0.05 2 346 39 39 PRO C C 173.420 0.1 1 347 39 39 PRO CA C 63.220 0.1 1 348 39 39 PRO CB C 34.790 0.1 1 349 39 39 PRO CG C 25.510 0.1 1 350 39 39 PRO CD C 50.610 0.1 1 351 40 40 LYS H H 8.660 0.05 1 352 40 40 LYS HA H 4.240 0.05 1 353 40 40 LYS HB2 H 1.830 0.05 2 354 40 40 LYS C C 174.440 0.1 1 355 40 40 LYS CA C 57.320 0.1 1 356 40 40 LYS CB C 31.120 0.1 1 357 40 40 LYS N N 121.790 0.1 1 358 41 41 VAL H H 8.440 0.05 1 359 41 41 VAL HA H 4.260 0.05 1 360 41 41 VAL HB H 2.070 0.05 1 361 41 41 VAL HG2 H 0.950 0.05 2 362 41 41 VAL C C 172.470 0.1 1 363 41 41 VAL CA C 61.770 0.1 1 364 41 41 VAL CB C 33.690 0.1 1 365 41 41 VAL CG2 C 21.800 0.1 1 366 41 41 VAL N N 117.640 0.1 1 367 42 42 ASP H H 8.340 0.05 1 368 42 42 ASP HA H 4.635 0.05 1 369 42 42 ASP HB2 H 2.680 0.05 2 370 42 42 ASP HB3 H 2.880 0.05 2 371 42 42 ASP C C 174.320 0.1 1 372 42 42 ASP CA C 53.930 0.1 1 373 42 42 ASP CB C 42.660 0.1 1 374 42 42 ASP N N 124.230 0.1 1 375 43 43 SER H H 8.350 0.05 1 376 43 43 SER HA H 4.220 0.05 1 377 43 43 SER HB2 H 3.920 0.05 2 378 43 43 SER HB3 H 3.980 0.05 2 379 43 43 SER C C 172.640 0.1 1 380 43 43 SER CA C 60.990 0.1 1 381 43 43 SER CB C 63.400 0.1 1 382 43 43 SER N N 116.160 0.1 1 383 44 44 LYS H H 8.390 0.05 1 384 44 44 LYS HA H 4.350 0.05 1 385 44 44 LYS HB2 H 1.910 0.05 2 386 44 44 LYS HB3 H 1.850 0.05 2 387 44 44 LYS HG2 H 1.450 0.05 2 388 44 44 LYS HD2 H 1.660 0.05 2 389 44 44 LYS C C 174.440 0.1 1 390 44 44 LYS CA C 57.280 0.1 1 391 44 44 LYS CB C 32.710 0.1 1 392 44 44 LYS CG C 25.420 0.1 1 393 44 44 LYS CD C 29.380 0.1 1 394 44 44 LYS CE C 42.570 0.1 1 395 44 44 LYS N N 120.710 0.1 1 396 45 45 THR H H 7.870 0.05 1 397 45 45 THR HA H 4.400 0.05 1 398 45 45 THR HB H 3.080 0.05 1 399 45 45 THR HG2 H 1.160 0.05 1 400 45 45 THR C C 171.710 0.1 1 401 45 45 THR CA C 62.060 0.1 1 402 45 45 THR CB C 70.200 0.1 1 403 45 45 THR N N 113.410 0.1 1 404 46 46 VAL H H 8.000 0.05 1 405 46 46 VAL HA H 4.010 0.05 1 406 46 46 VAL HB H 2.120 0.05 1 407 46 46 VAL HG2 H 0.930 0.05 2 408 46 46 VAL C C 173.910 0.1 1 409 46 46 VAL CA C 63.560 0.1 1 410 46 46 VAL CB C 32.370 0.1 1 411 46 46 VAL CG2 C 21.240 0.1 1 412 46 46 VAL N N 122.370 0.1 1 413 47 47 GLY H H 8.430 0.05 1 414 47 47 GLY HA2 H 3.640 0.05 2 415 47 47 GLY HA3 H 3.910 0.05 2 416 47 47 GLY C C 170.900 0.1 1 417 47 47 GLY CA C 45.700 0.1 1 418 47 47 GLY N N 112.010 0.1 1 419 48 48 GLN H H 8.170 0.05 1 420 48 48 GLN HA H 4.530 0.05 1 421 48 48 GLN HB2 H 2.240 0.05 2 422 48 48 GLN HB3 H 2.010 0.05 2 423 48 48 GLN HG2 H 2.370 0.05 2 424 48 48 GLN HE21 H 7.300 0.05 2 425 48 48 GLN HE22 H 6.460 0.05 2 426 48 48 GLN C C 172.610 0.1 1 427 48 48 GLN CA C 55.180 0.1 1 428 48 48 GLN CB C 30.590 0.1 1 429 48 48 GLN CG C 34.520 0.1 1 430 48 48 GLN N N 118.550 0.1 1 431 48 48 GLN NE2 N 113.060 0.1 1 432 49 49 TYR H H 8.420 0.05 1 433 49 49 TYR HA H 4.130 0.05 1 434 49 49 TYR HB2 H 2.420 0.05 2 435 49 49 TYR HB3 H 2.890 0.05 2 436 49 49 TYR C C 171.490 0.1 1 437 49 49 TYR CA C 59.400 0.1 1 438 49 49 TYR CB C 39.260 0.1 1 439 49 49 TYR N N 123.770 0.1 1 440 50 50 GLU CA C 52.600 0.1 1 441 50 50 GLU CB C 32.500 0.1 1 442 51 51 TYR H H 7.420 0.05 1 443 51 51 TYR HA H 4.650 0.05 1 444 51 51 TYR HB2 H 2.080 0.05 2 445 51 51 TYR HB3 H 2.710 0.05 2 446 51 51 TYR CA C 54.820 0.1 1 447 51 51 TYR CB C 40.070 0.1 1 448 51 51 TYR N N 120.560 0.1 1 449 52 52 TYR HA H 4.920 0.05 1 450 52 52 TYR HB2 H 2.380 0.05 2 451 52 52 TYR HB3 H 2.920 0.05 2 452 52 52 TYR C C 171.860 0.1 1 453 52 52 TYR CA C 58.470 0.1 1 454 52 52 TYR CB C 45.610 0.1 1 455 53 53 LYS H H 8.480 0.05 1 456 53 53 LYS HA H 4.500 0.05 1 457 53 53 LYS HB2 H 2.520 0.05 2 458 53 53 LYS HB3 H 2.610 0.05 2 459 53 53 LYS C C 173.130 0.1 1 460 53 53 LYS CA C 56.790 0.1 1 461 53 53 LYS CB C 36.310 0.1 1 462 53 53 LYS CG C 28.300 0.1 1 463 53 53 LYS N N 120.070 0.1 1 464 54 54 VAL H H 8.380 0.05 1 465 54 54 VAL HA H 4.140 0.05 1 466 54 54 VAL HB H 1.270 0.05 1 467 54 54 VAL HG1 H -0.269 0.05 2 468 54 54 VAL HG2 H -0.453 0.05 2 469 54 54 VAL C C 171.240 0.1 1 470 54 54 VAL CA C 62.420 0.1 1 471 54 54 VAL CB C 33.720 0.1 1 472 54 54 VAL CG1 C 21.300 0.1 1 473 54 54 VAL CG2 C 19.000 0.1 1 474 54 54 VAL N N 128.140 0.1 1 475 55 55 TYR H H 8.920 0.05 1 476 55 55 TYR HA H 4.660 0.05 1 477 55 55 TYR HB2 H 2.406 0.05 2 478 55 55 TYR HB3 H 2.850 0.05 2 479 55 55 TYR C C 171.080 0.1 1 480 55 55 TYR CA C 58.140 0.1 1 481 55 55 TYR CB C 43.900 0.1 1 482 55 55 TYR N N 124.930 0.1 1 483 56 56 MET H H 9.155 0.05 1 484 56 56 MET HA H 5.530 0.05 1 485 56 56 MET HB2 H 1.790 0.05 2 486 56 56 MET HG2 H 2.690 0.05 2 487 56 56 MET HG3 H 2.820 0.05 2 488 56 56 MET C C 173.290 0.1 1 489 56 56 MET CA C 55.450 0.1 1 490 56 56 MET CB C 34.610 0.1 1 491 56 56 MET CG C 32.480 0.1 1 492 56 56 MET N N 123.110 0.1 1 493 57 57 VAL H H 8.990 0.05 1 494 57 57 VAL HA H 4.970 0.05 1 495 57 57 VAL HB H 2.390 0.05 1 496 57 57 VAL HG2 H 0.740 0.05 2 497 57 57 VAL C C 171.710 0.1 1 498 57 57 VAL CA C 59.400 0.1 1 499 57 57 VAL CB C 36.760 0.1 1 500 57 57 VAL CG2 C 22.500 0.1 1 501 57 57 VAL N N 119.610 0.1 1 502 58 58 ASP HA H 4.910 0.05 1 503 58 58 ASP HB2 H 2.820 0.05 2 504 58 58 ASP HB3 H 3.080 0.05 2 505 58 58 ASP C C 172.680 0.1 1 506 58 58 ASP CA C 52.600 0.1 1 507 58 58 ASP CB C 42.480 0.1 1 508 59 59 LYS H H 8.300 0.05 1 509 59 59 LYS HA H 4.630 0.05 1 510 59 59 LYS HB2 H 2.510 0.05 2 511 59 59 LYS C C 174.280 0.1 1 512 59 59 LYS CA C 60.360 0.1 1 513 59 59 LYS CB C 33.840 0.1 1 514 59 59 LYS CG C 25.410 0.1 1 515 59 59 LYS CD C 30.350 0.1 1 516 59 59 LYS CE C 43.210 0.1 1 517 59 59 LYS N N 119.420 0.1 1 518 60 60 ASP H H 7.920 0.05 1 519 60 60 ASP HA H 4.190 0.05 1 520 60 60 ASP HB2 H 2.530 0.05 2 521 60 60 ASP HB3 H 2.640 0.05 2 522 60 60 ASP C C 175.630 0.1 1 523 60 60 ASP CA C 58.000 0.1 1 524 60 60 ASP CB C 41.500 0.1 1 525 60 60 ASP N N 116.270 0.1 1 526 61 61 GLN H H 7.602 0.05 1 527 61 61 GLN HA H 3.880 0.05 1 528 61 61 GLN HB2 H 2.110 0.05 2 529 61 61 GLN HB3 H 2.500 0.05 2 530 61 61 GLN HG2 H 2.260 0.05 2 531 61 61 GLN HG3 H 2.540 0.05 2 532 61 61 GLN HE21 H 7.715 0.05 2 533 61 61 GLN HE22 H 7.490 0.05 2 534 61 61 GLN C C 175.500 0.1 1 535 61 61 GLN CA C 60.190 0.1 1 536 61 61 GLN CB C 31.130 0.1 1 537 61 61 GLN CG C 37.000 0.1 1 538 61 61 GLN N N 117.100 0.1 1 539 61 61 GLN NE2 N 112.050 0.1 1 540 62 62 ALA H H 7.890 0.05 1 541 62 62 ALA HA H 3.960 0.05 1 542 62 62 ALA HB H 0.940 0.05 1 543 62 62 ALA C C 176.970 0.1 1 544 62 62 ALA CA C 55.510 0.1 1 545 62 62 ALA CB C 18.820 0.1 1 546 62 62 ALA N N 121.050 0.1 1 547 63 63 ASP H H 8.780 0.05 1 548 63 63 ASP HA H 4.150 0.05 1 549 63 63 ASP HB2 H 2.730 0.05 2 550 63 63 ASP HB3 H 2.530 0.05 2 551 63 63 ASP C C 175.780 0.1 1 552 63 63 ASP CA C 57.400 0.1 1 553 63 63 ASP CB C 40.400 0.1 1 554 63 63 ASP N N 118.090 0.1 1 555 64 64 ARG H H 7.390 0.05 1 556 64 64 ARG HA H 4.290 0.05 1 557 64 64 ARG HB2 H 1.660 0.05 2 558 64 64 ARG HB3 H 1.930 0.05 2 559 64 64 ARG HG2 H 1.770 0.05 2 560 64 64 ARG HD2 H 3.140 0.05 2 561 64 64 ARG C C 172.760 0.1 1 562 64 64 ARG CA C 56.000 0.1 1 563 64 64 ARG CB C 31.200 0.1 1 564 64 64 ARG CG C 28.720 0.1 1 565 64 64 ARG CD C 43.960 0.1 1 566 64 64 ARG N N 115.230 0.1 1 567 65 65 CYS H H 7.930 0.05 1 568 65 65 CYS HA H 4.156 0.05 1 569 65 65 CYS HB2 H 3.241 0.05 2 570 65 65 CYS HB3 H 3.428 0.05 2 571 65 65 CYS C C 169.680 0.1 1 572 65 65 CYS CA C 54.750 0.1 1 573 65 65 CYS CB C 36.440 0.1 1 574 65 65 CYS N N 119.120 0.1 1 575 66 66 THR H H 8.210 0.05 1 576 66 66 THR HA H 5.120 0.05 1 577 66 66 THR HB H 3.830 0.05 1 578 66 66 THR HG2 H 1.080 0.05 1 579 66 66 THR C C 171.280 0.1 1 580 66 66 THR CA C 61.260 0.1 1 581 66 66 THR CB C 72.400 0.1 1 582 66 66 THR CG2 C 21.800 0.1 1 583 66 66 THR N N 113.490 0.1 1 584 67 67 ILE H H 8.000 0.05 1 585 67 67 ILE HA H 4.280 0.05 1 586 67 67 ILE HB H 1.390 0.05 1 587 67 67 ILE HG12 H 0.914 0.05 1 588 67 67 ILE HG13 H 1.220 0.05 1 589 67 67 ILE HG2 H 0.340 0.05 1 590 67 67 ILE HD1 H 0.240 0.05 1 591 67 67 ILE C C 173.060 0.1 1 592 67 67 ILE CA C 58.940 0.1 1 593 67 67 ILE CB C 39.980 0.1 1 594 67 67 ILE CG1 C 25.870 0.1 2 595 67 67 ILE CG2 C 18.150 0.1 1 596 67 67 ILE CD1 C 13.380 0.1 1 597 67 67 ILE N N 118.660 0.1 1 598 68 68 LYS H H 7.970 0.05 1 599 68 68 LYS HA H 4.420 0.05 1 600 68 68 LYS HB2 H 1.544 0.05 2 601 68 68 LYS HB3 H 1.940 0.05 2 602 68 68 LYS HG2 H 1.526 0.05 2 603 68 68 LYS HD2 H 1.325 0.05 2 604 68 68 LYS HE2 H 2.900 0.05 2 605 68 68 LYS HE3 H 2.870 0.05 2 606 68 68 LYS C C 174.530 0.1 1 607 68 68 LYS CA C 55.360 0.1 1 608 68 68 LYS CB C 34.400 0.1 1 609 68 68 LYS CE C 42.090 0.1 1 610 68 68 LYS N N 122.280 0.1 1 611 69 69 LYS H H 8.400 0.05 1 612 69 69 LYS HA H 4.020 0.05 1 613 69 69 LYS HB2 H 1.650 0.05 2 614 69 69 LYS HB3 H 1.830 0.05 2 615 69 69 LYS HG2 H 1.390 0.05 2 616 69 69 LYS C C 174.200 0.1 1 617 69 69 LYS CA C 58.850 0.1 1 618 69 69 LYS CB C 32.650 0.1 1 619 69 69 LYS CG C 25.900 0.1 1 620 69 69 LYS CD C 30.010 0.1 1 621 69 69 LYS CE C 42.350 0.1 1 622 69 69 LYS N N 121.540 0.1 1 623 70 70 GLU H H 8.510 0.05 1 624 70 70 GLU HA H 4.170 0.05 1 625 70 70 GLU HB2 H 1.990 0.05 2 626 70 70 GLU HB3 H 2.040 0.05 2 627 70 70 GLU HG2 H 2.190 0.05 2 628 70 70 GLU HG3 H 2.307 0.05 2 629 70 70 GLU C C 173.700 0.1 1 630 70 70 GLU CA C 58.040 0.1 1 631 70 70 GLU CB C 28.670 0.1 1 632 70 70 GLU CG C 36.980 0.1 1 633 70 70 GLU N N 116.130 0.1 1 634 71 71 ASN H H 7.820 0.05 1 635 71 71 ASN HA H 4.800 0.05 1 636 71 71 ASN HB2 H 2.640 0.05 2 637 71 71 ASN HB3 H 2.890 0.05 2 638 71 71 ASN HD21 H 7.530 0.05 2 639 71 71 ASN HD22 H 7.380 0.05 2 640 71 71 ASN C C 171.610 0.1 1 641 71 71 ASN CA C 53.900 0.1 1 642 71 71 ASN CB C 40.780 0.1 1 643 71 71 ASN N N 119.770 0.1 1 644 71 71 ASN ND2 N 110.520 0.1 1 645 72 72 THR H H 8.730 0.05 1 646 72 72 THR HA H 4.050 0.05 1 647 72 72 THR HG2 H 1.170 0.05 1 648 72 72 THR C C 169.370 0.1 1 649 72 72 THR CA C 60.180 0.1 1 650 72 72 THR CB C 71.100 0.1 1 651 72 72 THR CG2 C 20.950 0.1 1 652 72 72 THR N N 118.400 0.1 1 653 74 74 LEU H H 8.535 0.05 1 654 74 74 LEU HA H 3.700 0.05 1 655 74 74 LEU HB2 H 0.510 0.05 2 656 74 74 LEU HB3 H 0.909 0.05 2 657 74 74 LEU HG H 1.300 0.05 1 658 74 74 LEU HD1 H 0.422 0.05 2 659 74 74 LEU C C 173.330 0.1 1 660 74 74 LEU CA C 55.980 0.1 1 661 74 74 LEU CB C 42.960 0.1 1 662 74 74 LEU CG C 26.360 0.1 1 663 74 74 LEU CD1 C 23.460 0.1 1 664 74 74 LEU N N 122.570 0.1 1 665 75 75 LEU H H 6.660 0.05 1 666 75 75 LEU HA H 4.360 0.05 1 667 75 75 LEU HB2 H 0.960 0.05 2 668 75 75 LEU HB3 H 1.540 0.05 2 669 75 75 LEU HG H 1.300 0.05 1 670 75 75 LEU HD1 H 0.720 0.05 2 671 75 75 LEU HD2 H 0.540 0.05 2 672 75 75 LEU C C 171.500 0.1 1 673 75 75 LEU CA C 55.270 0.1 1 674 75 75 LEU CB C 47.220 0.1 1 675 75 75 LEU CG C 28.070 0.1 1 676 75 75 LEU CD1 C 26.430 0.1 1 677 75 75 LEU CD2 C 25.670 0.1 1 678 75 75 LEU N N 112.070 0.1 1 679 76 76 ASN H H 9.180 0.05 1 680 76 76 ASN HA H 4.415 0.05 1 681 76 76 ASN HB2 H 2.907 0.05 2 682 76 76 ASN HB3 H 3.100 0.05 2 683 76 76 ASN HD21 H 7.160 0.05 2 684 76 76 ASN HD22 H 6.330 0.05 2 685 76 76 ASN C C 172.160 0.1 1 686 76 76 ASN CA C 59.440 0.1 1 687 76 76 ASN CB C 41.560 0.1 1 688 76 76 ASN N N 122.100 0.1 1 689 76 76 ASN ND2 N 106.350 0.1 1 690 77 77 CYS H H 9.340 0.05 1 691 77 77 CYS HA H 4.690 0.05 1 692 77 77 CYS HB2 H 2.990 0.05 2 693 77 77 CYS HB3 H 3.440 0.05 2 694 77 77 CYS C C 169.650 0.1 1 695 77 77 CYS CA C 56.210 0.1 1 696 77 77 CYS CB C 38.810 0.1 1 697 77 77 CYS N N 122.040 0.1 1 698 78 78 ALA H H 7.017 0.05 1 699 78 78 ALA HA H 5.080 0.05 1 700 78 78 ALA HB H 1.440 0.05 1 701 78 78 ALA C C 173.430 0.1 1 702 78 78 ALA CA C 51.120 0.1 1 703 78 78 ALA CB C 19.400 0.1 1 704 78 78 ALA N N 124.490 0.1 1 705 80 80 PRO C C 172.270 0.1 1 706 80 80 PRO CA C 63.680 0.1 1 707 80 80 PRO CB C 32.900 0.1 1 708 80 80 PRO CG C 27.220 0.1 1 709 81 81 ASP H H 7.800 0.05 1 710 81 81 ASP HA H 4.620 0.05 1 711 81 81 ASP HB2 H 2.520 0.05 2 712 81 81 ASP HB3 H 2.810 0.05 2 713 81 81 ASP C C 173.130 0.1 1 714 81 81 ASP CA C 53.300 0.1 1 715 81 81 ASP CB C 41.000 0.1 1 716 81 81 ASP N N 109.020 0.1 1 717 82 82 GLN H H 7.820 0.05 1 718 82 82 GLN HA H 4.630 0.05 1 719 82 82 GLN HB2 H 2.000 0.05 2 720 82 82 GLN HB3 H 1.780 0.05 2 721 82 82 GLN HG2 H 2.190 0.05 2 722 82 82 GLN HG3 H 2.300 0.05 2 723 82 82 GLN C C 171.000 0.1 1 724 82 82 GLN CA C 54.980 0.1 1 725 82 82 GLN CB C 33.300 0.1 1 726 82 82 GLN CG C 33.640 0.1 1 727 82 82 GLN N N 118.330 0.1 1 728 83 83 ASP H H 8.680 0.05 1 729 83 83 ASP HA H 4.950 0.05 1 730 83 83 ASP HB2 H 2.330 0.05 2 731 83 83 ASP HB3 H 2.540 0.05 2 732 83 83 ASP C C 173.470 0.1 1 733 83 83 ASP CA C 55.100 0.1 1 734 83 83 ASP CB C 41.760 0.1 1 735 83 83 ASP N N 122.540 0.1 1 736 84 84 ILE H H 8.030 0.05 1 737 84 84 ILE HA H 4.420 0.05 1 738 84 84 ILE HB H 2.030 0.05 1 739 84 84 ILE HG12 H 1.370 0.05 1 740 84 84 ILE HG13 H 1.770 0.05 1 741 84 84 ILE HG2 H 1.010 0.05 1 742 84 84 ILE HD1 H 1.150 0.05 1 743 84 84 ILE C C 170.790 0.1 1 744 84 84 ILE CA C 60.900 0.1 1 745 84 84 ILE CB C 40.120 0.1 1 746 84 84 ILE CG1 C 27.900 0.1 2 747 84 84 ILE CG2 C 18.100 0.1 1 748 84 84 ILE CD1 C 14.160 0.1 1 749 84 84 ILE N N 125.590 0.1 1 750 85 85 LYS H H 8.630 0.05 1 751 85 85 LYS HA H 5.510 0.05 1 752 85 85 LYS HB2 H 1.574 0.05 2 753 85 85 LYS HG2 H 1.123 0.05 2 754 85 85 LYS C C 172.160 0.1 1 755 85 85 LYS CA C 54.730 0.1 1 756 85 85 LYS CB C 37.560 0.1 1 757 85 85 LYS CG C 24.650 0.1 1 758 85 85 LYS CD C 30.120 0.1 1 759 85 85 LYS CE C 42.350 0.1 1 760 85 85 LYS N N 125.750 0.1 1 761 86 86 PHE H H 9.030 0.05 1 762 86 86 PHE HA H 4.560 0.05 1 763 86 86 PHE HB2 H 2.910 0.05 2 764 86 86 PHE HB3 H 2.610 0.05 2 765 86 86 PHE C C 170.480 0.1 1 766 86 86 PHE CA C 58.400 0.1 1 767 86 86 PHE CB C 44.180 0.1 1 768 86 86 PHE N N 125.370 0.1 1 769 87 87 THR H H 7.604 0.05 1 770 87 87 THR HA H 4.907 0.05 1 771 87 87 THR HB H 3.400 0.05 1 772 87 87 THR HG2 H 0.907 0.05 1 773 87 87 THR C C 170.260 0.1 1 774 87 87 THR CA C 61.890 0.1 1 775 87 87 THR CB C 70.560 0.1 1 776 87 87 THR CG2 C 22.150 0.1 1 777 87 87 THR N N 124.720 0.1 1 778 88 88 ILE H H 9.513 0.05 1 779 88 88 ILE HA H 3.720 0.05 1 780 88 88 ILE HB H 1.424 0.05 1 781 88 88 ILE HG12 H 0.840 0.05 1 782 88 88 ILE HG13 H 1.760 0.05 1 783 88 88 ILE HG2 H -0.312 0.05 1 784 88 88 ILE HD1 H 0.720 0.05 1 785 88 88 ILE C C 171.410 0.1 1 786 88 88 ILE CA C 61.400 0.1 1 787 88 88 ILE CB C 39.740 0.1 1 788 88 88 ILE CG1 C 28.200 0.1 2 789 88 88 ILE CG2 C 18.500 0.1 1 790 88 88 ILE CD1 C 14.540 0.1 1 791 88 88 ILE N N 128.650 0.1 1 792 89 89 LYS H H 8.140 0.05 1 793 89 89 LYS HA H 4.540 0.05 1 794 89 89 LYS HB2 H 1.490 0.05 2 795 89 89 LYS C C 173.730 0.1 1 796 89 89 LYS CA C 55.000 0.1 1 797 89 89 LYS CB C 33.500 0.1 1 798 89 89 LYS CG C 26.150 0.1 1 799 89 89 LYS CD C 30.000 0.1 1 800 89 89 LYS CE C 42.570 0.1 1 801 89 89 LYS N N 126.390 0.1 1 802 90 90 PHE H H 8.370 0.05 1 803 90 90 PHE HA H 3.940 0.05 1 804 90 90 PHE HB2 H 2.190 0.05 2 805 90 90 PHE HB3 H 3.040 0.05 2 806 90 90 PHE C C 171.280 0.1 1 807 90 90 PHE CA C 58.850 0.1 1 808 90 90 PHE CB C 37.240 0.1 1 809 90 90 PHE N N 124.970 0.1 1 810 91 91 GLN H H 7.650 0.05 1 811 91 91 GLN HA H 4.870 0.05 1 812 91 91 GLN HB2 H 2.100 0.05 2 813 91 91 GLN HB3 H 2.050 0.05 2 814 91 91 GLN HG2 H 2.340 0.05 2 815 91 91 GLN HE21 H 7.870 0.05 2 816 91 91 GLN HE22 H 6.990 0.05 2 817 91 91 GLN C C 172.000 0.1 1 818 91 91 GLN CA C 53.930 0.1 1 819 91 91 GLN CB C 32.070 0.1 1 820 91 91 GLN CG C 33.340 0.1 1 821 91 91 GLN N N 123.610 0.1 1 822 91 91 GLN NE2 N 110.990 0.1 1 823 92 92 GLU H H 8.930 0.05 1 824 92 92 GLU HA H 4.860 0.05 1 825 92 92 GLU HB2 H 1.915 0.05 2 826 92 92 GLU HG2 H 2.280 0.05 2 827 92 92 GLU C C 173.090 0.1 1 828 92 92 GLU CA C 57.410 0.1 1 829 92 92 GLU CB C 32.060 0.1 1 830 92 92 GLU CG C 37.990 0.1 1 831 92 92 GLU N N 121.470 0.1 1 832 93 93 PHE H H 7.830 0.05 1 833 93 93 PHE HA H 4.710 0.05 1 834 93 93 PHE HB2 H 2.970 0.05 2 835 93 93 PHE HB3 H 3.000 0.05 2 836 93 93 PHE C C 171.940 0.1 1 837 93 93 PHE CA C 57.500 0.1 1 838 93 93 PHE CB C 40.700 0.1 1 839 93 93 PHE N N 116.270 0.1 1 840 94 94 SER H H 8.840 0.05 1 841 94 94 SER HA H 4.700 0.05 1 842 94 94 SER HB2 H 3.640 0.05 2 843 94 94 SER C C 170.330 0.1 1 844 94 94 SER CA C 55.090 0.1 1 845 94 94 SER CB C 64.570 0.1 1 846 94 94 SER N N 120.220 0.1 1 847 95 95 PRO HA H 4.320 0.05 1 848 95 95 PRO HB2 H 2.240 0.05 2 849 95 95 PRO HG2 H 1.930 0.05 2 850 95 95 PRO C C 173.380 0.1 1 851 95 95 PRO CA C 64.120 0.1 1 852 95 95 PRO CB C 32.690 0.1 1 853 95 95 PRO CG C 27.540 0.1 1 854 95 95 PRO CD C 51.250 0.1 1 855 96 96 ASN H H 7.830 0.05 1 856 96 96 ASN HA H 4.610 0.05 1 857 96 96 ASN HB2 H 2.440 0.05 2 858 96 96 ASN HB3 H 2.530 0.05 2 859 96 96 ASN HD21 H 7.540 0.05 2 860 96 96 ASN HD22 H 6.900 0.05 2 861 96 96 ASN C C 172.420 0.1 1 862 96 96 ASN CA C 52.940 0.1 1 863 96 96 ASN CB C 39.970 0.1 1 864 96 96 ASN N N 115.470 0.1 1 865 96 96 ASN ND2 N 113.800 0.1 1 866 97 97 LEU H H 8.080 0.05 1 867 97 97 LEU HA H 4.030 0.05 1 868 97 97 LEU HB2 H 1.250 0.05 2 869 97 97 LEU HB3 H 1.330 0.05 2 870 97 97 LEU HG H 1.270 0.05 1 871 97 97 LEU HD1 H 0.714 0.05 2 872 97 97 LEU HD2 H 0.736 0.05 2 873 97 97 LEU C C 174.140 0.1 1 874 97 97 LEU CA C 56.670 0.1 1 875 97 97 LEU CB C 42.180 0.1 1 876 97 97 LEU CG C 26.950 0.1 1 877 97 97 LEU CD1 C 24.340 0.1 1 878 97 97 LEU CD2 C 24.600 0.1 1 879 97 97 LEU N N 122.050 0.1 1 880 98 98 TRP H H 7.850 0.05 1 881 98 98 TRP HA H 4.670 0.05 1 882 98 98 TRP HB2 H 3.320 0.05 2 883 98 98 TRP C C 173.610 0.1 1 884 98 98 TRP CA C 57.680 0.1 1 885 98 98 TRP CB C 29.070 0.1 1 886 98 98 TRP N N 118.630 0.1 1 887 99 99 GLY H H 7.710 0.05 1 888 99 99 GLY HA2 H 3.920 0.05 2 889 99 99 GLY C C 170.480 0.1 1 890 99 99 GLY CA C 45.340 0.1 1 891 99 99 GLY N N 109.620 0.1 1 892 100 100 LEU H H 8.040 0.05 1 893 100 100 LEU HA H 4.210 0.05 1 894 100 100 LEU HB2 H 1.750 0.05 2 895 100 100 LEU HB3 H 1.190 0.05 2 896 100 100 LEU HG H 1.770 0.05 1 897 100 100 LEU HD1 H 1.050 0.05 2 898 100 100 LEU HD2 H 0.866 0.05 2 899 100 100 LEU C C 172.140 0.1 1 900 100 100 LEU CA C 55.180 0.1 1 901 100 100 LEU CB C 43.200 0.1 1 902 100 100 LEU CG C 27.520 0.1 1 903 100 100 LEU CD1 C 26.690 0.1 1 904 100 100 LEU CD2 C 23.790 0.1 1 905 100 100 LEU N N 120.600 0.1 1 906 101 101 GLU H H 7.740 0.05 1 907 101 101 GLU HA H 4.510 0.05 1 908 101 101 GLU HB2 H 1.790 0.05 2 909 101 101 GLU HG2 H 1.930 0.05 2 910 101 101 GLU HG3 H 2.110 0.05 2 911 101 101 GLU C C 172.140 0.1 1 912 101 101 GLU CA C 55.270 0.1 1 913 101 101 GLU CB C 32.740 0.1 1 914 101 101 GLU CG C 36.800 0.1 1 915 101 101 GLU N N 119.990 0.1 1 916 102 102 PHE H H 8.550 0.05 1 917 102 102 PHE HA H 4.560 0.05 1 918 102 102 PHE HB2 H 2.630 0.05 2 919 102 102 PHE HB3 H 2.350 0.05 2 920 102 102 PHE C C 170.820 0.1 1 921 102 102 PHE CA C 57.500 0.1 1 922 102 102 PHE CB C 42.860 0.1 1 923 102 102 PHE N N 120.550 0.1 1 924 103 103 GLN H H 8.310 0.05 1 925 103 103 GLN HA H 4.725 0.05 1 926 103 103 GLN HB2 H 1.890 0.05 2 927 103 103 GLN HB3 H 2.120 0.05 2 928 103 103 GLN HG2 H 2.470 0.05 2 929 103 103 GLN HG3 H 2.340 0.05 2 930 103 103 GLN HE21 H 7.650 0.05 2 931 103 103 GLN HE22 H 6.940 0.05 2 932 103 103 GLN C C 171.900 0.1 1 933 103 103 GLN CA C 53.900 0.1 1 934 103 103 GLN CB C 32.290 0.1 1 935 103 103 GLN CG C 34.840 0.1 1 936 103 103 GLN N N 118.180 0.1 1 937 103 103 GLN NE2 N 112.860 0.1 1 938 104 104 LYS H H 8.620 0.05 1 939 104 104 LYS HA H 3.750 0.05 1 940 104 104 LYS HB2 H 1.815 0.05 2 941 104 104 LYS HG2 H 1.450 0.05 2 942 104 104 LYS HG3 H 1.570 0.05 2 943 104 104 LYS HD2 H 1.790 0.05 2 944 104 104 LYS HE2 H 3.060 0.05 2 945 104 104 LYS C C 173.900 0.1 1 946 104 104 LYS CA C 58.490 0.1 1 947 104 104 LYS CB C 33.750 0.1 1 948 104 104 LYS CG C 26.500 0.1 1 949 104 104 LYS CD C 30.050 0.1 1 950 104 104 LYS CE C 42.070 0.1 1 951 104 104 LYS N N 119.150 0.1 1 952 105 105 ASN H H 8.540 0.05 1 953 105 105 ASN HA H 4.210 0.05 1 954 105 105 ASN HB2 H 2.977 0.05 2 955 105 105 ASN HB3 H 3.130 0.05 2 956 105 105 ASN HD21 H 7.540 0.05 2 957 105 105 ASN HD22 H 6.860 0.05 2 958 105 105 ASN C C 170.540 0.1 1 959 105 105 ASN CA C 55.460 0.1 1 960 105 105 ASN CB C 37.200 0.1 1 961 105 105 ASN N N 114.710 0.1 1 962 105 105 ASN ND2 N 111.610 0.1 1 963 106 106 LYS H H 7.560 0.05 1 964 106 106 LYS HA H 4.550 0.05 1 965 106 106 LYS HB2 H 1.720 0.05 2 966 106 106 LYS HB3 H 1.950 0.05 2 967 106 106 LYS HG2 H 1.150 0.05 2 968 106 106 LYS HG3 H 1.390 0.05 2 969 106 106 LYS HD2 H 1.610 0.05 2 970 106 106 LYS HE2 H 2.920 0.05 2 971 106 106 LYS C C 170.330 0.1 1 972 106 106 LYS CA C 55.630 0.1 1 973 106 106 LYS CB C 35.990 0.1 1 974 106 106 LYS CG C 26.470 0.1 1 975 106 106 LYS CD C 29.690 0.1 1 976 106 106 LYS CE C 43.100 0.1 1 977 106 106 LYS N N 119.120 0.1 1 978 107 107 ASP H H 7.740 0.05 1 979 107 107 ASP HA H 5.560 0.05 1 980 107 107 ASP HB2 H 2.120 0.05 2 981 107 107 ASP HB3 H 2.500 0.05 2 982 107 107 ASP C C 172.760 0.1 1 983 107 107 ASP CA C 52.700 0.1 1 984 107 107 ASP CB C 42.570 0.1 1 985 107 107 ASP N N 121.240 0.1 1 986 108 108 TYR H H 8.680 0.05 1 987 108 108 TYR HA H 4.850 0.05 1 988 108 108 TYR HB2 H 2.770 0.05 2 989 108 108 TYR HB3 H 3.360 0.05 2 990 108 108 TYR C C 171.040 0.1 1 991 108 108 TYR CA C 57.450 0.1 1 992 108 108 TYR CB C 42.750 0.1 1 993 108 108 TYR N N 119.620 0.1 1 994 109 109 TYR H H 8.180 0.05 1 995 109 109 TYR HA H 4.520 0.05 1 996 109 109 TYR HB2 H 2.520 0.05 2 997 109 109 TYR HB3 H 2.650 0.05 2 998 109 109 TYR C C 172.380 0.1 1 999 109 109 TYR CA C 57.590 0.1 1 1000 109 109 TYR CB C 43.240 0.1 1 1001 109 109 TYR N N 118.920 0.1 1 1002 110 110 ILE H H 9.170 0.05 1 1003 110 110 ILE HA H 5.450 0.05 1 1004 110 110 ILE HB H 1.676 0.05 1 1005 110 110 ILE HG12 H 1.680 0.05 1 1006 110 110 ILE HG13 H 1.000 0.05 1 1007 110 110 ILE HG2 H 0.580 0.05 1 1008 110 110 ILE HD1 H 0.736 0.05 1 1009 110 110 ILE C C 173.610 0.1 1 1010 110 110 ILE CA C 59.800 0.1 1 1011 110 110 ILE CB C 41.920 0.1 1 1012 110 110 ILE CG1 C 29.000 0.1 2 1013 110 110 ILE CG2 C 19.200 0.1 1 1014 110 110 ILE CD1 C 14.300 0.1 1 1015 110 110 ILE N N 122.100 0.1 1 1016 111 111 ILE H H 8.980 0.05 1 1017 111 111 ILE HA H 5.580 0.05 1 1018 111 111 ILE HB H 1.801 0.05 1 1019 111 111 ILE HG2 H 1.120 0.05 1 1020 111 111 ILE HD1 H 0.758 0.05 1 1021 111 111 ILE C C 171.340 0.1 1 1022 111 111 ILE CA C 59.900 0.1 1 1023 111 111 ILE CB C 45.430 0.1 1 1024 111 111 ILE CG2 C 17.650 0.1 1 1025 111 111 ILE CD1 C 15.200 0.1 1 1026 111 111 ILE N N 115.840 0.1 1 1027 112 112 SER H H 6.780 0.05 1 1028 112 112 SER HA H 5.090 0.05 1 1029 112 112 SER HB2 H 3.850 0.05 2 1030 112 112 SER C C 171.040 0.1 1 1031 112 112 SER CA C 58.670 0.1 1 1032 112 112 SER CB C 67.870 0.1 1 1033 112 112 SER N N 109.190 0.1 1 1034 113 113 THR H H 9.940 0.05 1 1035 113 113 THR HA H 4.910 0.05 1 1036 113 113 THR HB H 3.910 0.05 1 1037 113 113 THR HG2 H 0.810 0.05 1 1038 113 113 THR C C 172.190 0.1 1 1039 113 113 THR CA C 62.360 0.1 1 1040 113 113 THR CB C 67.700 0.1 1 1041 113 113 THR CG2 C 22.500 0.1 1 1042 113 113 THR N N 119.450 0.1 1 1043 114 114 SER H H 8.580 0.05 1 1044 114 114 SER HA H 4.070 0.05 1 1045 114 114 SER C C 170.890 0.1 1 1046 114 114 SER CA C 60.540 0.1 1 1047 114 114 SER CB C 63.670 0.1 1 1048 114 114 SER N N 120.880 0.1 1 1049 115 115 ASN H H 7.140 0.05 1 1050 115 115 ASN HA H 5.107 0.05 1 1051 115 115 ASN HB2 H 2.990 0.05 2 1052 115 115 ASN HB3 H 3.390 0.05 2 1053 115 115 ASN HD21 H 7.270 0.05 2 1054 115 115 ASN HD22 H 7.980 0.05 2 1055 115 115 ASN C C 173.430 0.1 1 1056 115 115 ASN CA C 53.000 0.1 1 1057 115 115 ASN CB C 39.080 0.1 1 1058 115 115 ASN N N 117.650 0.1 1 1059 115 115 ASN ND2 N 112.450 0.1 1 1060 116 116 GLY H H 8.880 0.05 1 1061 116 116 GLY HA2 H 3.270 0.05 2 1062 116 116 GLY HA3 H 4.410 0.05 2 1063 116 116 GLY C C 172.050 0.1 1 1064 116 116 GLY CA C 45.400 0.1 1 1065 116 116 GLY N N 111.830 0.1 1 1066 117 117 SER H H 8.134 0.05 1 1067 117 117 SER HA H 5.000 0.05 1 1068 117 117 SER HB2 H 3.980 0.05 2 1069 117 117 SER HB3 H 4.140 0.05 2 1070 117 117 SER C C 173.420 0.1 1 1071 117 117 SER CA C 57.680 0.1 1 1072 117 117 SER CB C 66.530 0.1 1 1073 117 117 SER N N 118.250 0.1 1 1074 118 118 LEU H H 9.210 0.05 1 1075 118 118 LEU HA H 3.140 0.05 1 1076 118 118 LEU HB2 H 0.624 0.05 2 1077 118 118 LEU HB3 H 1.385 0.05 2 1078 118 118 LEU HG H 1.070 0.05 1 1079 118 118 LEU HD1 H 0.690 0.05 2 1080 118 118 LEU HD2 H 0.534 0.05 2 1081 118 118 LEU C C 176.670 0.1 1 1082 118 118 LEU CA C 59.650 0.1 1 1083 118 118 LEU CB C 41.150 0.1 1 1084 118 118 LEU CG C 26.840 0.1 1 1085 118 118 LEU CD1 C 25.780 0.1 1 1086 118 118 LEU CD2 C 22.960 0.1 1 1087 118 118 LEU N N 129.070 0.1 1 1088 119 119 GLU H H 8.990 0.05 1 1089 119 119 GLU HA H 3.960 0.05 1 1090 119 119 GLU HB2 H 2.000 0.05 2 1091 119 119 GLU HG2 H 2.370 0.05 2 1092 119 119 GLU HG3 H 2.270 0.05 2 1093 119 119 GLU C C 174.880 0.1 1 1094 119 119 GLU CA C 59.450 0.1 1 1095 119 119 GLU CB C 28.620 0.1 1 1096 119 119 GLU CG C 36.990 0.1 1 1097 119 119 GLU N N 116.720 0.1 1 1098 120 120 GLY H H 7.600 0.05 1 1099 120 120 GLY HA2 H 4.460 0.05 2 1100 120 120 GLY HA3 H 3.600 0.05 2 1101 120 120 GLY C C 172.640 0.1 1 1102 120 120 GLY CA C 44.630 0.1 1 1103 120 120 GLY N N 108.180 0.1 1 1104 121 121 LEU H H 7.060 0.05 1 1105 121 121 LEU HA H 4.360 0.05 1 1106 121 121 LEU HB2 H 1.660 0.05 2 1107 121 121 LEU HG H 1.480 0.05 1 1108 121 121 LEU HD1 H 0.916 0.05 2 1109 121 121 LEU HD2 H 0.960 0.05 2 1110 121 121 LEU C C 176.710 0.1 1 1111 121 121 LEU CA C 58.900 0.1 1 1112 121 121 LEU CB C 44.460 0.1 1 1113 121 121 LEU CG C 27.010 0.1 1 1114 121 121 LEU CD1 C 25.000 0.1 1 1115 121 121 LEU CD2 C 26.640 0.1 1 1116 121 121 LEU N N 123.310 0.1 1 1117 122 122 ASP H H 8.590 0.05 1 1118 122 122 ASP HA H 4.810 0.05 1 1119 122 122 ASP HB2 H 2.404 0.05 2 1120 122 122 ASP HB3 H 2.980 0.05 2 1121 122 122 ASP C C 172.080 0.1 1 1122 122 122 ASP CA C 54.850 0.1 1 1123 122 122 ASP CB C 41.070 0.1 1 1124 122 122 ASP N N 116.620 0.1 1 1125 123 123 ASN H H 7.302 0.05 1 1126 123 123 ASN HA H 4.400 0.05 1 1127 123 123 ASN HB2 H 2.980 0.05 2 1128 123 123 ASN HB3 H 3.090 0.05 2 1129 123 123 ASN HD21 H 8.540 0.05 2 1130 123 123 ASN HD22 H 7.030 0.05 2 1131 123 123 ASN C C 175.140 0.1 1 1132 123 123 ASN CA C 55.630 0.1 1 1133 123 123 ASN CB C 39.000 0.1 1 1134 123 123 ASN N N 120.360 0.1 1 1135 123 123 ASN ND2 N 113.400 0.1 1 1136 124 124 GLN H H 9.060 0.05 1 1137 124 124 GLN HA H 4.240 0.05 1 1138 124 124 GLN HB2 H 1.940 0.05 2 1139 124 124 GLN HG2 H 2.470 0.05 2 1140 124 124 GLN HG3 H 2.210 0.05 2 1141 124 124 GLN HE21 H 7.370 0.05 2 1142 124 124 GLN HE22 H 6.580 0.05 2 1143 124 124 GLN C C 170.700 0.1 1 1144 124 124 GLN CA C 57.300 0.1 1 1145 124 124 GLN CB C 31.290 0.1 1 1146 124 124 GLN CG C 35.060 0.1 1 1147 124 124 GLN N N 124.230 0.1 1 1148 124 124 GLN NE2 N 111.370 0.1 1 1149 125 125 GLU H H 7.090 0.05 1 1150 125 125 GLU HA H 5.341 0.05 1 1151 125 125 GLU HB2 H 1.980 0.05 2 1152 125 125 GLU HB3 H 2.030 0.05 2 1153 125 125 GLU HG2 H 2.196 0.05 2 1154 125 125 GLU HG3 H 2.257 0.05 2 1155 125 125 GLU C C 172.760 0.1 1 1156 125 125 GLU CA C 55.140 0.1 1 1157 125 125 GLU CB C 33.300 0.1 1 1158 125 125 GLU CG C 36.010 0.1 1 1159 125 125 GLU N N 115.700 0.1 1 1160 126 126 GLY H H 9.590 0.05 1 1161 126 126 GLY HA2 H 3.490 0.05 2 1162 126 126 GLY HA3 H 4.280 0.05 2 1163 126 126 GLY C C 169.920 0.1 1 1164 126 126 GLY CA C 47.130 0.1 1 1165 126 126 GLY N N 115.230 0.1 1 1166 127 127 GLY H H 8.700 0.05 1 1167 127 127 GLY HA2 H 3.900 0.05 2 1168 127 127 GLY C C 173.320 0.1 1 1169 127 127 GLY CA C 45.970 0.1 1 1170 127 127 GLY N N 113.990 0.1 1 1171 128 128 VAL H H 8.390 0.05 1 1172 128 128 VAL HA H 4.410 0.05 1 1173 128 128 VAL HB H 2.180 0.05 1 1174 128 128 VAL HG1 H 1.190 0.05 2 1175 128 128 VAL HG2 H 1.330 0.05 2 1176 128 128 VAL C C 176.340 0.1 1 1177 128 128 VAL CA C 66.820 0.1 1 1178 128 128 VAL CB C 32.000 0.1 1 1179 128 128 VAL CG1 C 23.080 0.1 1 1180 128 128 VAL CG2 C 19.410 0.1 1 1181 128 128 VAL N N 114.670 0.1 1 1182 129 129 CYS H H 8.110 0.05 1 1183 129 129 CYS HA H 4.027 0.05 1 1184 129 129 CYS HB2 H 3.165 0.05 2 1185 129 129 CYS HB3 H 3.525 0.05 2 1186 129 129 CYS C C 170.820 0.1 1 1187 129 129 CYS CA C 61.050 0.1 1 1188 129 129 CYS CB C 36.100 0.1 1 1189 129 129 CYS N N 124.160 0.1 1 1190 130 130 GLN H H 7.270 0.05 1 1191 130 130 GLN HA H 4.200 0.05 1 1192 130 130 GLN HB2 H 2.180 0.05 2 1193 130 130 GLN HG2 H 2.400 0.05 2 1194 130 130 GLN C C 175.550 0.1 1 1195 130 130 GLN CA C 57.770 0.1 1 1196 130 130 GLN CB C 31.220 0.1 1 1197 130 130 GLN CG C 34.400 0.1 1 1198 130 130 GLN N N 119.090 0.1 1 1199 131 131 THR H H 9.150 0.05 1 1200 131 131 THR HA H 4.160 0.05 1 1201 131 131 THR HB H 4.290 0.05 1 1202 131 131 THR HG2 H 1.250 0.05 1 1203 131 131 THR C C 174.060 0.1 1 1204 131 131 THR CA C 64.750 0.1 1 1205 131 131 THR CB C 69.660 0.1 1 1206 131 131 THR CG2 C 21.900 0.1 1 1207 131 131 THR N N 110.380 0.1 1 1208 132 132 ARG H H 7.660 0.05 1 1209 132 132 ARG HA H 4.680 0.05 1 1210 132 132 ARG HB2 H 1.480 0.05 2 1211 132 132 ARG HB3 H 1.930 0.05 2 1212 132 132 ARG HG2 H 1.590 0.05 2 1213 132 132 ARG HD2 H 3.172 0.05 2 1214 132 132 ARG C C 171.490 0.1 1 1215 132 132 ARG CA C 54.580 0.1 1 1216 132 132 ARG CB C 32.420 0.1 1 1217 132 132 ARG CG C 27.190 0.1 1 1218 132 132 ARG CD C 43.250 0.1 1 1219 132 132 ARG N N 119.400 0.1 1 1220 133 133 ALA H H 6.950 0.05 1 1221 133 133 ALA HA H 3.990 0.05 1 1222 133 133 ALA HB H 1.360 0.05 1 1223 133 133 ALA C C 172.680 0.1 1 1224 133 133 ALA CA C 53.420 0.1 1 1225 133 133 ALA CB C 17.520 0.1 1 1226 133 133 ALA N N 119.490 0.1 1 1227 134 134 MET H H 7.150 0.05 1 1228 134 134 MET HA H 3.190 0.05 1 1229 134 134 MET HB2 H 0.820 0.05 2 1230 134 134 MET HB3 H 1.050 0.05 2 1231 134 134 MET HG2 H 0.445 0.05 2 1232 134 134 MET HG3 H 1.230 0.05 2 1233 134 134 MET C C 169.320 0.1 1 1234 134 134 MET CA C 56.400 0.1 1 1235 134 134 MET CB C 29.870 0.1 1 1236 134 134 MET CG C 32.800 0.1 1 1237 134 134 MET N N 117.000 0.1 1 1238 135 135 LYS H H 7.710 0.05 1 1239 135 135 LYS HA H 5.540 0.05 1 1240 135 135 LYS HB2 H 1.820 0.05 2 1241 135 135 LYS HG2 H 1.140 0.05 2 1242 135 135 LYS HG3 H 1.190 0.05 2 1243 135 135 LYS HD2 H 1.610 0.05 2 1244 135 135 LYS HD3 H 1.720 0.05 2 1245 135 135 LYS HE2 H 2.790 0.05 2 1246 135 135 LYS C C 171.940 0.1 1 1247 135 135 LYS CA C 54.200 0.1 1 1248 135 135 LYS CB C 37.220 0.1 1 1249 135 135 LYS CG C 24.350 0.1 1 1250 135 135 LYS CD C 30.500 0.1 1 1251 135 135 LYS CE C 41.710 0.1 1 1252 135 135 LYS N N 121.240 0.1 1 1253 136 136 ILE H H 9.810 0.05 1 1254 136 136 ILE HA H 5.300 0.05 1 1255 136 136 ILE HB H 1.900 0.05 1 1256 136 136 ILE HG12 H 1.230 0.05 1 1257 136 136 ILE HG2 H 0.826 0.05 1 1258 136 136 ILE HD1 H 1.120 0.05 1 1259 136 136 ILE C C 171.900 0.1 1 1260 136 136 ILE CA C 60.080 0.1 1 1261 136 136 ILE CB C 41.610 0.1 1 1262 136 136 ILE CG1 C 28.500 0.1 2 1263 136 136 ILE CG2 C 18.060 0.1 1 1264 136 136 ILE CD1 C 15.360 0.1 1 1265 136 136 ILE N N 121.540 0.1 1 1266 137 137 LEU H H 8.910 0.05 1 1267 137 137 LEU HA H 4.680 0.05 1 1268 137 137 LEU HB2 H 1.750 0.05 2 1269 137 137 LEU HB3 H 1.434 0.05 2 1270 137 137 LEU HG H 0.850 0.05 1 1271 137 137 LEU HD1 H 0.400 0.05 2 1272 137 137 LEU C C 171.240 0.1 1 1273 137 137 LEU CA C 53.750 0.1 1 1274 137 137 LEU CB C 43.460 0.1 1 1275 137 137 LEU CG C 26.650 0.1 1 1276 137 137 LEU CD1 C 22.530 0.1 1 1277 137 137 LEU N N 130.530 0.1 1 1278 138 138 MET H H 9.270 0.05 1 1279 138 138 MET HA H 4.460 0.05 1 1280 138 138 MET HB2 H 1.980 0.05 2 1281 138 138 MET HB3 H 1.350 0.05 2 1282 138 138 MET HG2 H 2.400 0.05 2 1283 138 138 MET C C 170.830 0.1 1 1284 138 138 MET CA C 54.100 0.1 1 1285 138 138 MET CB C 34.600 0.1 1 1286 138 138 MET CG C 32.590 0.1 1 1287 138 138 MET N N 124.180 0.1 1 1288 139 139 LYS H H 8.630 0.05 1 1289 139 139 LYS HA H 4.650 0.05 1 1290 139 139 LYS HB2 H 1.470 0.05 2 1291 139 139 LYS HB3 H 1.280 0.05 2 1292 139 139 LYS C C 173.020 0.1 1 1293 139 139 LYS CA C 55.900 0.1 1 1294 139 139 LYS CB C 28.260 0.1 1 1295 139 139 LYS N N 128.190 0.1 1 1296 140 140 VAL H H 7.730 0.05 1 1297 140 140 VAL HA H 3.940 0.05 1 1298 140 140 VAL HB H 2.710 0.05 1 1299 140 140 VAL HG2 H 0.890 0.05 2 1300 140 140 VAL C C 172.720 0.1 1 1301 140 140 VAL CA C 64.350 0.1 1 1302 140 140 VAL CB C 31.220 0.1 1 1303 140 140 VAL CG2 C 24.170 0.1 1 1304 140 140 VAL N N 122.070 0.1 1 1305 141 141 GLY H H 9.620 0.05 1 1306 141 141 GLY HA2 H 3.703 0.05 2 1307 141 141 GLY HA3 H 4.250 0.05 2 1308 141 141 GLY C C 170.370 0.1 1 1309 141 141 GLY CA C 46.600 0.1 1 1310 141 141 GLY N N 115.490 0.1 1 1311 142 142 GLN H H 7.280 0.05 1 1312 142 142 GLN HA H 4.580 0.05 1 1313 142 142 GLN HB2 H 1.790 0.05 2 1314 142 142 GLN HG2 H 2.330 0.05 2 1315 142 142 GLN C C 171.260 0.1 1 1316 142 142 GLN CA C 55.540 0.1 1 1317 142 142 GLN CB C 32.420 0.1 1 1318 142 142 GLN CG C 35.480 0.1 1 1319 142 142 GLN N N 117.750 0.1 1 1320 143 143 ASP H H 8.510 0.05 1 1321 143 143 ASP HA H 4.510 0.05 1 1322 143 143 ASP HB2 H 2.520 0.05 2 1323 143 143 ASP HB3 H 2.650 0.05 2 1324 143 143 ASP C C 173.050 0.1 1 1325 143 143 ASP CA C 53.840 0.1 1 1326 143 143 ASP CB C 43.200 0.1 1 1327 143 143 ASP N N 119.570 0.1 1 1328 144 144 ALA H H 8.270 0.05 1 1329 144 144 ALA HA H 3.410 0.05 1 1330 144 144 ALA HB H 0.950 0.05 1 1331 144 144 ALA C C 175.700 0.1 1 1332 144 144 ALA CA C 53.530 0.1 1 1333 144 144 ALA CB C 18.750 0.1 1 1334 144 144 ALA N N 126.940 0.1 1 1335 145 145 SER H H 8.300 0.05 1 1336 145 145 SER HA H 4.300 0.05 1 1337 145 145 SER HB2 H 3.820 0.05 2 1338 145 145 SER HB3 H 3.870 0.05 2 1339 145 145 SER C C 172.350 0.1 1 1340 145 145 SER CA C 59.840 0.1 1 1341 145 145 SER CB C 63.940 0.1 1 1342 145 145 SER N N 114.280 0.1 1 1343 146 146 SER H H 8.020 0.05 1 1344 146 146 SER HA H 4.410 0.05 1 1345 146 146 SER HB2 H 3.920 0.05 2 1346 146 146 SER HB3 H 3.860 0.05 2 1347 146 146 SER C C 171.820 0.1 1 1348 146 146 SER CA C 59.110 0.1 1 1349 146 146 SER CB C 64.120 0.1 1 1350 146 146 SER N N 117.480 0.1 1 1351 147 147 ALA H H 8.100 0.05 1 1352 147 147 ALA HA H 4.310 0.05 1 1353 147 147 ALA HB H 1.410 0.05 1 1354 147 147 ALA C C 175.520 0.1 1 1355 147 147 ALA CA C 53.260 0.1 1 1356 147 147 ALA CB C 19.400 0.1 1 1357 147 147 ALA N N 125.850 0.1 1 1358 148 148 GLY H H 8.300 0.05 1 1359 148 148 GLY HA2 H 3.650 0.05 2 1360 148 148 GLY HA3 H 3.970 0.05 2 1361 148 148 GLY C C 171.530 0.1 1 1362 148 148 GLY CA C 45.790 0.1 1 1363 148 148 GLY N N 108.000 0.1 1 1364 149 149 SER H H 8.160 0.05 1 1365 149 149 SER HA H 4.520 0.05 1 1366 149 149 SER HB2 H 3.880 0.05 2 1367 149 149 SER C C 172.050 0.1 1 1368 149 149 SER CA C 58.800 0.1 1 1369 149 149 SER CB C 64.400 0.1 1 1370 149 149 SER N N 115.640 0.1 1 1371 150 150 THR H H 8.240 0.05 1 1372 150 150 THR HA H 4.330 0.05 1 1373 150 150 THR HG2 H 1.190 0.05 1 1374 150 150 THR C C 170.930 0.1 1 1375 150 150 THR CA C 62.420 0.1 1 1376 150 150 THR CB C 70.290 0.1 1 1377 150 150 THR N N 116.490 0.1 1 1378 151 151 ARG H H 7.620 0.05 1 1379 151 151 ARG HA H 4.200 0.05 1 1380 151 151 ARG HB2 H 1.705 0.05 2 1381 151 151 ARG HB3 H 1.850 0.05 2 1382 151 151 ARG HG2 H 1.600 0.05 2 1383 151 151 ARG HD2 H 3.180 0.05 2 1384 151 151 ARG C C 178.170 0.1 1 1385 151 151 ARG CA C 58.040 0.1 1 1386 151 151 ARG CB C 31.650 0.1 1 1387 151 151 ARG CG C 30.000 0.1 1 1388 151 151 ARG CD C 44.690 0.1 1 1389 151 151 ARG N N 127.800 0.1 1 stop_ save_