data_5943 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Letter to the Editor: 1H, 15N and 13C Resonance Assignments and Secondary Structure Determination of the D2 Domain of the Human Acidic Fibroblast Growth Factor Receptor ; _BMRB_accession_number 5943 _BMRB_flat_file_name bmr5943.str _Entry_type original _Submission_date 2003-09-09 _Accession_date 2003-09-12 _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 Hung Kuo-Wei . . 2 Thallampuranam SureshKumar Krishnaswamy . 3 Yu Chin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 622 "13C chemical shifts" 336 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-09-30 original author . stop_ _Original_release_date 2004-09-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N chemical shift assignments of the D2 domain of the fibroblast growth factor. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15452438 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hung Kuo-Wei . . 2 Kumar T. K.S. . 3 Yu Chin . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 30 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 99 _Page_last 100 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_FGFR _Saveframe_category molecular_system _Mol_system_name 'Fibroblast growth factor receptor' _Abbreviation_common FGFR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FGFRD2 monomer' $FGFR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disuldide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FGFR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Fibroblast growth factor receptor' _Abbreviation_common FGFR _Molecular_mass 13709.59 _Mol_thiol_state 'all disuldide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; MNSNNKRAPYWTNTEKMEKR LHAVPAANTVKFRCPAGGNP MPTMRWLKNGKEFKQEHRIG GYKVRNQHWSLIMESVVPSD KGNYTCVVENEYGSINHTYH LDVVLVPRGSLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 SER 4 ASN 5 ASN 6 LYS 7 ARG 8 ALA 9 PRO 10 TYR 11 TRP 12 THR 13 ASN 14 THR 15 GLU 16 LYS 17 MET 18 GLU 19 LYS 20 ARG 21 LEU 22 HIS 23 ALA 24 VAL 25 PRO 26 ALA 27 ALA 28 ASN 29 THR 30 VAL 31 LYS 32 PHE 33 ARG 34 CYS 35 PRO 36 ALA 37 GLY 38 GLY 39 ASN 40 PRO 41 MET 42 PRO 43 THR 44 MET 45 ARG 46 TRP 47 LEU 48 LYS 49 ASN 50 GLY 51 LYS 52 GLU 53 PHE 54 LYS 55 GLN 56 GLU 57 HIS 58 ARG 59 ILE 60 GLY 61 GLY 62 TYR 63 LYS 64 VAL 65 ARG 66 ASN 67 GLN 68 HIS 69 TRP 70 SER 71 LEU 72 ILE 73 MET 74 GLU 75 SER 76 VAL 77 VAL 78 PRO 79 SER 80 ASP 81 LYS 82 GLY 83 ASN 84 TYR 85 THR 86 CYS 87 VAL 88 VAL 89 GLU 90 ASN 91 GLU 92 TYR 93 GLY 94 SER 95 ILE 96 ASN 97 HIS 98 THR 99 TYR 100 HIS 101 LEU 102 ASP 103 VAL 104 VAL 105 LEU 106 VAL 107 PRO 108 ARG 109 GLY 110 SER 111 LEU 112 GLU 113 HIS 114 HIS 115 HIS 116 HIS 117 HIS 118 HIS 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 1E0O "Crystal Structure Of A Ternary Fgf1-Fgfr2-Heparin Complex" 86.44 219 100.00 100.00 1.10e-68 PDB 1EV2 "Crystal Structure Of Fgf2 In Complex With The Extracellular Ligand Binding Domain Of Fgf Receptor 2 (Fgfr2)" 87.29 220 100.00 100.00 1.93e-69 PDB 1II4 "Crystal Structure Of Ser252trp Apert Mutant Fgf Receptor 2 (Fgfr2) In Complex With Fgf2" 87.29 220 100.00 100.00 3.50e-69 PDB 1IIL "Crystal Structure Of Pro253arg Apert Mutant Fgf Receptor 2 (Fgfr2) In Complex With Fgf2" 87.29 220 100.00 100.00 1.69e-69 PDB 1WVZ "Solution Structure Of The D2 Domain Of The Fibroblast Growth Factor" 88.14 104 100.00 100.00 2.54e-71 PDB 2FDB "Crystal Structure Of Fibroblast Growth Factor (Fgf)8b In Complex With Fgf Receptor (Fgfr) 2c" 85.59 220 100.00 100.00 3.91e-68 PDB 3CAF "Crystal Structure Of Hfgfr2 D2 Domain" 84.75 100 100.00 100.00 2.29e-68 PDB 3CU1 "Crystal Structure Of 2:2:2 Fgfr2d2:fgf1:sos Complex" 84.75 100 100.00 100.00 2.29e-68 PDB 3DAR "Crystal Structure Of D2 Domain From Human Fgfr2" 87.29 105 100.00 100.00 1.75e-70 PDB 3EUU "Crystal Structure Of The Fgfr2 D2 Domain" 84.75 100 100.00 100.00 2.29e-68 PDB 3OJ2 "Crystal Structure Of Fgf1 Complexed With The Ectodomain Of Fgfr2b Harboring The A172f Pfeiffer Syndrome Mutation" 87.29 231 99.03 99.03 9.04e-69 PDB 3OJM "Crystal Structure Of Fgf1 Complexed With The Ectodomain Of Fgfr2b Harboring P253r Apert Mutation" 87.29 231 100.00 100.00 8.56e-70 PDB 4J23 "Low Resolution Crystal Structure Of The Fgfr2d2d3/fgf1/sr128545 Complex" 88.14 223 100.00 100.00 2.68e-70 DBJ BAA89296 "K-sam-IIH1 [Homo sapiens]" 87.29 819 100.00 100.00 7.45e-66 DBJ BAA89297 "K-sam-IIH2 [Homo sapiens]" 87.29 819 100.00 100.00 8.49e-66 DBJ BAA89298 "K-sam-IIH3 [Homo sapiens]" 87.29 830 100.00 100.00 7.26e-66 DBJ BAA89299 "K-sam-IIO1 [Homo sapiens]" 87.29 771 100.00 100.00 5.54e-66 DBJ BAA89300 "K-sam-IIO2 [Homo sapiens]" 87.29 817 100.00 100.00 8.98e-66 EMBL CAA37014 "unnamed protein product [Homo sapiens]" 87.29 821 100.00 100.00 1.05e-65 EMBL CAA39654 "fibroblast growth factor (FGR) receptor [Homo sapiens]" 87.29 769 100.00 100.00 6.45e-66 EMBL CAA96492 "FGFR2 [Homo sapiens]" 87.29 821 100.00 100.00 1.05e-65 GB AAA02691 "heparin-binding fibroblast growth factor receptor 2 [Rattus norvegicus]" 82.20 331 97.94 98.97 3.86e-63 GB AAA02693 "heparin-binding fibroblast growth factor receptor 2 [Rattus norvegicus]" 82.20 330 98.97 98.97 1.99e-63 GB AAA36147 "keratinocyte growth factor receptor [Homo sapiens]" 87.29 822 100.00 100.00 8.41e-66 GB AAA36152 "K-sam protein [Homo sapiens]" 87.29 682 100.00 100.00 2.68e-66 GB AAA39377 "keratinocyte growth factor receptor [Mus musculus]" 82.20 707 97.94 98.97 1.52e-60 PIR A54846 "fibroblast growth factor receptor a precursor - rat" 81.36 707 97.92 98.96 6.64e-60 REF NP_000132 "fibroblast growth factor receptor 2 isoform 1 precursor [Homo sapiens]" 87.29 821 100.00 100.00 1.05e-65 REF NP_001003336 "fibroblast growth factor receptor 2 precursor [Canis lupus familiaris]" 82.20 707 98.97 98.97 5.62e-61 REF NP_001076157 "fibroblast growth factor receptor 2 precursor [Oryctolagus cuniculus]" 87.29 782 97.09 99.03 1.08e-63 REF NP_001103365 "fibroblast growth factor receptor 2 isoform e [Rattus norvegicus]" 82.20 726 97.94 98.97 2.31e-60 REF NP_001103366 "fibroblast growth factor receptor 2 isoform f [Rattus norvegicus]" 82.20 725 97.94 98.97 2.95e-60 SP P21802 "RecName: Full=Fibroblast growth factor receptor 2; Short=FGFR-2; AltName: Full=K-sam; Short=KGFR; AltName: Full=Keratinocyte gr" 87.29 821 100.00 100.00 1.05e-65 TPG DAA14698 "TPA: fibroblast growth factor receptor 2 [Bos taurus]" 87.29 846 97.09 99.03 9.88e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FGFR 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 $FGFR 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $FGFR 1.5 mM 1.0 1.5 '[U-13C; U-15U]' phosphate 20 mM . . . NaCL 50 mM . . . 'Ammonium sulfate' 50 mM . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_15N-edited_HSQC-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited HSQC-NOESY' _Sample_label . save_ save_13C-edited_HSQC-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited HSQC-NOESY' _Sample_label . save_ save_TOCSY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _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 HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited HSQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited HSQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . n/a temperature 298 . 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 TSP H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 TSP N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 TSP C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'FGFRD2 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 . 2 ASN CA C 51.05 0.05 1 2 . 2 ASN CB C 36.7 0.05 1 3 . 3 SER H H 8.506 0.05 1 4 . 3 SER HA H 4.635 0.05 1 5 . 3 SER C C 172.84 0.05 1 6 . 3 SER CA C 56.44 0.05 1 7 . 3 SER CB C 61.41 0.05 1 8 . 3 SER N N 117 0.05 1 9 . 4 ASN H H 8.478 0.05 1 10 . 4 ASN HA H 4.63 0.05 1 11 . 4 ASN HB2 H 2.71 0.05 2 12 . 4 ASN HB3 H 2.77 0.05 2 13 . 4 ASN HD21 H 7.635 0.05 2 14 . 4 ASN HD22 H 6.94 0.05 2 15 . 4 ASN C C 172.10 0.05 1 16 . 4 ASN CA C 51.05 0.05 1 17 . 4 ASN CB C 36.67 0.05 1 18 . 4 ASN N N 120.2 0.05 1 19 . 5 ASN H H 8.154 0.05 1 20 . 5 ASN HA H 4.601 0.05 1 21 . 5 ASN HB2 H 2.73 0.05 2 22 . 5 ASN HB3 H 2.78 0.05 2 23 . 5 ASN HD21 H 7.521 0.05 2 24 . 5 ASN HD22 H 6.844 0.05 2 25 . 5 ASN C C 172.63 0.05 1 26 . 5 ASN CA C 50.9 0.05 1 27 . 5 ASN CB C 36.36 0.05 1 28 . 5 ASN N N 118.3 0.05 1 29 . 6 LYS H H 8.004 0.05 1 30 . 6 LYS HA H 4.11 0.05 1 31 . 6 LYS HB2 H 1.33 0.05 1 32 . 6 LYS HB3 H 1.33 0.05 1 33 . 6 LYS HG2 H 0.9493 0.05 1 34 . 6 LYS HG3 H 0.9493 0.05 1 35 . 6 LYS HD2 H 1.201 0.05 1 36 . 6 LYS HD3 H 1.201 0.05 1 37 . 6 LYS HE2 H 2.716 0.05 1 38 . 6 LYS HE3 H 2.716 0.05 1 39 . 6 LYS C C 172.96 0.05 1 40 . 6 LYS CA C 53.89 0.05 1 41 . 6 LYS CB C 29.68 0.05 1 42 . 6 LYS N N 121.78 0.05 1 43 . 7 ARG H H 9.022 0.05 1 44 . 7 ARG HA H 4.478 0.05 1 45 . 7 ARG HB2 H 1.61 0.05 1 46 . 7 ARG HB3 H 1.61 0.05 1 47 . 7 ARG HG2 H 1.305 0.05 1 48 . 7 ARG HG3 H 1.305 0.05 1 49 . 7 ARG HD2 H 2.939 0.05 1 50 . 7 ARG HD3 H 2.939 0.05 1 51 . 7 ARG C C 173.75 0.05 1 52 . 7 ARG CA C 53.9 0.05 1 53 . 7 ARG CB C 30.8 0.05 1 54 . 7 ARG CD C 40.98 0.05 1 55 . 7 ARG N N 121.44 0.05 1 56 . 8 ALA H H 8.47 0.05 1 57 . 8 ALA HA H 4.524 0.05 1 58 . 8 ALA HB H 1.269 0.05 1 59 . 8 ALA CA C 48.81 0.05 1 60 . 8 ALA CB C 14.5 0.05 1 61 . 8 ALA N N 127.21 0.05 1 62 . 9 PRO HA H 4.911 0.05 1 63 . 9 PRO HB2 H 1.816 0.05 2 64 . 9 PRO HB3 H 2.125 0.05 2 65 . 9 PRO HG2 H 1.301 0.05 2 66 . 9 PRO HG3 H 1.594 0.05 2 67 . 9 PRO HD2 H 3.43 0.05 2 68 . 9 PRO HD3 H 3.838 0.05 2 69 . 9 PRO CA C 60.01 0.05 1 70 . 9 PRO CB C 30.23 0.05 1 71 . 10 TYR H H 7.332 0.05 1 72 . 10 TYR HA H 4.27 0.05 1 73 . 10 TYR HB2 H 2.728 0.05 1 74 . 10 TYR HB3 H 2.728 0.05 1 75 . 10 TYR HD1 H 7.074 0.05 1 76 . 10 TYR HD2 H 7.074 0.05 1 77 . 10 TYR HE1 H 6.817 0.05 1 78 . 10 TYR HE2 H 6.817 0.05 1 79 . 10 TYR C C 171.66 0.05 1 80 . 10 TYR CA C 51.99 0.05 1 81 . 10 TYR CB C 37.94 0.05 1 82 . 10 TYR N N 115.3 0.05 1 83 . 11 TRP H H 7.872 0.05 1 84 . 11 TRP HA H 5.313 0.05 1 85 . 11 TRP HB2 H 2.739 0.05 2 86 . 11 TRP HB3 H 3.332 0.05 2 87 . 11 TRP HD1 H 7.116 0.05 1 88 . 11 TRP HE1 H 10.08 0.05 1 89 . 11 TRP HE3 H 7.375 0.05 1 90 . 11 TRP HZ2 H 7.61 0.05 1 91 . 11 TRP HZ3 H 7.116 0.05 1 92 . 11 TRP HH2 H 6.816 0.05 1 93 . 11 TRP C C 170.55 0.05 1 94 . 11 TRP CA C 52.05 0.05 1 95 . 11 TRP CB C 29.16 0.05 1 96 . 11 TRP N N 118.44 0.05 1 97 . 12 THR H H 8.176 0.05 1 98 . 12 THR HA H 4.284 0.05 1 99 . 12 THR HB H 2.801 0.05 1 100 . 12 THR HG2 H 0.794 0.05 1 101 . 12 THR C C 176.36 0.05 1 102 . 12 THR CA C 59.74 0.05 1 103 . 12 THR CB C 66.67 0.05 1 104 . 12 THR CG2 C 19.17 0.05 1 105 . 12 THR N N 112.5 0.05 1 106 . 13 ASN H H 7.945 0.05 1 107 . 13 ASN HA H 4.914 0.05 1 108 . 13 ASN HB2 H 2.548 0.05 2 109 . 13 ASN HB3 H 2.756 0.05 2 110 . 13 ASN HD21 H 7.864 0.05 2 111 . 13 ASN HD22 H 7.005 0.05 2 112 . 13 ASN C C 173.02 0.05 1 113 . 13 ASN CA C 50.94 0.05 1 114 . 13 ASN CB C 36.7 0.05 1 115 . 13 ASN N N 119.91 0.05 1 116 . 14 THR H H 8.652 0.05 1 117 . 14 THR HA H 4.738 0.05 1 118 . 14 THR HB H 3.76 0.05 1 119 . 14 THR HG2 H 1.232 0.05 1 120 . 14 THR C C 172.93 0.05 1 121 . 14 THR CA C 62.25 0.05 1 122 . 14 THR CB C 65.97 0.05 1 123 . 14 THR CG2 C 19.82 0.05 1 124 . 14 THR N N 114.28 0.05 1 125 . 15 GLU H H 8.93 0.05 1 126 . 15 GLU HA H 4.189 0.05 1 127 . 15 GLU HB2 H 2.08 0.05 1 128 . 15 GLU HB3 H 2.08 0.05 1 129 . 15 GLU HG2 H 2.344 0.05 1 130 . 15 GLU HG3 H 2.344 0.05 1 131 . 15 GLU C C 175.07 0.05 1 132 . 15 GLU CA C 57.13 0.05 1 133 . 15 GLU CB C 26.28 0.05 1 134 . 15 GLU CG C 33.96 0.05 1 135 . 15 GLU N N 124.45 0.05 1 136 . 16 LYS H H 7.752 0.05 1 137 . 16 LYS HA H 4.261 0.05 1 138 . 16 LYS HB2 H 1.951 0.05 1 139 . 16 LYS HB3 H 1.951 0.05 1 140 . 16 LYS HG2 H 1.447 0.05 1 141 . 16 LYS HG3 H 1.447 0.05 1 142 . 16 LYS HD2 H 1.647 0.05 1 143 . 16 LYS HD3 H 1.647 0.05 1 144 . 16 LYS HE2 H 3.710 0.05 1 145 . 16 LYS HE3 H 3.710 0.05 1 146 . 16 LYS C C 176.59 0.05 1 147 . 16 LYS CA C 54.6 0.05 1 148 . 16 LYS CB C 29.97 0.05 1 149 . 16 LYS N N 116.96 0.05 1 150 . 17 MET H H 7.382 0.05 1 151 . 17 MET HA H 4.857 0.05 1 152 . 17 MET HB2 H 1.469 0.05 1 153 . 17 MET HB3 H 1.469 0.05 1 154 . 17 MET HG2 H 2.09 0.05 1 155 . 17 MET HG3 H 2.09 0.05 1 156 . 17 MET C C 174.34 0.05 1 157 . 17 MET CA C 53.16 0.05 1 158 . 17 MET CB C 31.02 0.05 1 159 . 17 MET CG C 28.76 0.05 1 160 . 17 MET N N 117.03 0.05 1 161 . 18 GLU H H 7.208 0.05 1 162 . 18 GLU HA H 4.096 0.05 1 163 . 18 GLU HB2 H 2.104 0.05 1 164 . 18 GLU HB3 H 2.104 0.05 1 165 . 18 GLU HG2 H 2.451 0.05 1 166 . 18 GLU HG3 H 2.451 0.05 1 167 . 18 GLU C C 173.62 0.05 1 168 . 18 GLU CA C 56.08 0.05 1 169 . 18 GLU CB C 28.06 0.05 1 170 . 18 GLU CG C 33.96 0.05 1 171 . 18 GLU N N 117.8 0.05 1 172 . 19 LYS H H 8.078 0.05 1 173 . 19 LYS HA H 4.42 0.05 1 174 . 19 LYS HB2 H 1.991 0.05 1 175 . 19 LYS HB3 H 1.991 0.05 1 176 . 19 LYS HG2 H 1.501 0.05 1 177 . 19 LYS HG3 H 1.501 0.05 1 178 . 19 LYS HD2 H 1.744 0.05 1 179 . 19 LYS HD3 H 1.744 0.05 1 180 . 19 LYS C C 174.83 0.05 1 181 . 19 LYS CA C 54.1 0.05 1 182 . 19 LYS CB C 29.43 0.05 1 183 . 19 LYS CD C 29.28 0.05 1 184 . 19 LYS N N 120.32 0.05 1 185 . 20 ARG H H 8.303 0.05 1 186 . 20 ARG HA H 4.741 0.05 1 187 . 20 ARG HB2 H 1.794 0.05 2 188 . 20 ARG HB3 H 1.994 0.05 2 189 . 20 ARG HG2 H 1.581 0.05 1 190 . 20 ARG HG3 H 1.581 0.05 1 191 . 20 ARG C C 173.19 0.05 1 192 . 20 ARG CA C 55.52 0.05 1 193 . 20 ARG CB C 28.77 0.05 1 194 . 20 ARG N N 125.68 0.05 1 195 . 21 LEU H H 8.047 0.05 1 196 . 21 LEU HA H 5.008 0.05 1 197 . 21 LEU HB2 H 1.667 0.05 2 198 . 21 LEU HB3 H 1.774 0.05 2 199 . 21 LEU HG H 1.39 0.05 1 200 . 21 LEU HD1 H 0.945 0.05 1 201 . 21 LEU HD2 H 0.945 0.05 1 202 . 21 LEU C C 173.73 0.05 1 203 . 21 LEU CA C 52.72 0.05 1 204 . 21 LEU CB C 40.3 0.05 1 205 . 21 LEU CD1 C 22.29 0.05 1 206 . 21 LEU CD2 C 22.29 0.05 1 207 . 21 LEU N N 121.68 0.05 1 208 . 22 HIS H H 9.184 0.05 1 209 . 22 HIS HA H 4.744 0.05 1 210 . 22 HIS HB2 H 2.922 0.05 2 211 . 22 HIS HB3 H 3.207 0.05 2 212 . 22 HIS HD2 H 7.015 0.05 1 213 . 22 HIS HE1 H 7.973 0.05 1 214 . 22 HIS C C 173.38 0.05 1 215 . 22 HIS CA C 53.18 0.05 1 216 . 22 HIS CB C 30.44 0.05 1 217 . 22 HIS N N 125.35 0.05 1 218 . 23 ALA H H 8.717 0.05 1 219 . 23 ALA HA H 5.23 0.05 1 220 . 23 ALA HB H 1.24 0.05 1 221 . 23 ALA C C 170.94 0.05 1 222 . 23 ALA CA C 48.52 0.05 1 223 . 23 ALA CB C 16.42 0.05 1 224 . 23 ALA N N 128.96 0.05 1 225 . 24 VAL H H 8.473 0.05 1 226 . 24 VAL HA H 4.732 0.05 1 227 . 24 VAL HB H 1.846 0.05 1 228 . 24 VAL HG1 H 0.818 0.05 1 229 . 24 VAL HG2 H 0.818 0.05 1 230 . 24 VAL C C 174.08 0.05 1 231 . 24 VAL CA C 56 0.05 1 232 . 24 VAL CB C 32.78 0.05 1 233 . 24 VAL N N 123.26 0.05 1 234 . 25 PRO HA H 4.905 0.05 1 235 . 25 PRO HB2 H 1.594 0.05 2 236 . 25 PRO HB3 H 1.86 0.05 2 237 . 25 PRO HG2 H 1.301 0.05 1 238 . 25 PRO HG3 H 1.301 0.05 1 239 . 25 PRO CA C 59.78 0.05 1 240 . 25 PRO CB C 28.68 0.05 1 241 . 26 ALA H H 8.023 0.05 1 242 . 26 ALA HA H 3.716 0.05 1 243 . 26 ALA HB H 1.297 0.05 1 244 . 26 ALA C C 173.58 0.05 1 245 . 26 ALA CA C 51.06 0.05 1 246 . 26 ALA CB C 15.73 0.05 1 247 . 26 ALA N N 123.21 0.05 1 248 . 27 ALA H H 9.534 0.05 1 249 . 27 ALA HA H 3.766 0.05 1 250 . 27 ALA HB H 1.61 0.05 1 251 . 27 ALA C C 175.24 0.05 1 252 . 27 ALA CA C 52.77 0.05 1 253 . 27 ALA CB C 14.62 0.05 1 254 . 27 ALA N N 118.21 0.05 1 255 . 28 ASN H H 7.684 0.05 1 256 . 28 ASN HA H 4.793 0.05 1 257 . 28 ASN HB2 H 2.665 0.05 2 258 . 28 ASN HB3 H 3.006 0.05 2 259 . 28 ASN HD21 H 7.341 0.05 2 260 . 28 ASN HD22 H 7.134 0.05 2 261 . 28 ASN C C 175.16 0.05 1 262 . 28 ASN CA C 50.8 0.05 1 263 . 28 ASN CB C 37.4 0.05 1 264 . 28 ASN N N 120.26 0.05 1 265 . 29 THR H H 8.581 0.05 1 266 . 29 THR HA H 4.871 0.05 1 267 . 29 THR HB H 3.849 0.05 1 268 . 29 THR HG2 H 0.884 0.05 1 269 . 29 THR C C 171.51 0.05 1 270 . 29 THR CA C 59.82 0.05 1 271 . 29 THR CB C 68.32 0.05 1 272 . 29 THR N N 116.19 0.05 1 273 . 30 VAL H H 8.527 0.05 1 274 . 30 VAL HA H 4.108 0.05 1 275 . 30 VAL HB H 1.616 0.05 1 276 . 30 VAL HG1 H 0.064 0.05 2 277 . 30 VAL HG2 H 0.355 0.05 2 278 . 30 VAL C C 171.34 0.05 1 279 . 30 VAL CA C 57.7 0.05 1 280 . 30 VAL CB C 32.48 0.05 1 281 . 30 VAL N N 126.17 0.05 1 282 . 31 LYS H H 7.576 0.05 1 283 . 31 LYS HA H 4.991 0.05 1 284 . 31 LYS HB2 H 1.666 0.05 2 285 . 31 LYS HB3 H 1.874 0.05 2 286 . 31 LYS HG2 H 0.979 0.05 2 287 . 31 LYS HG3 H 1.131 0.05 2 288 . 31 LYS HD2 H 1.342 0.05 1 289 . 31 LYS HD3 H 1.342 0.05 1 290 . 31 LYS HE2 H 2.868 0.05 2 291 . 31 LYS HE3 H 3.071 0.05 2 292 . 31 LYS C C 168.57 0.05 1 293 . 31 LYS CA C 51.42 0.05 1 294 . 31 LYS CB C 32.51 0.05 1 295 . 31 LYS N N 124.84 0.05 1 296 . 32 PHE H H 8.691 0.05 1 297 . 32 PHE HA H 4.776 0.05 1 298 . 32 PHE HB2 H 2.328 0.05 2 299 . 32 PHE HB3 H 2.986 0.05 2 300 . 32 PHE HD1 H 7.93 0.05 1 301 . 32 PHE HD2 H 7.93 0.05 1 302 . 32 PHE HE1 H 6.049 0.05 1 303 . 32 PHE HE2 H 6.049 0.05 1 304 . 32 PHE C C 172.35 0.05 1 305 . 32 PHE CA C 51.69 0.05 1 306 . 32 PHE CB C 40.53 0.05 1 307 . 32 PHE N N 123.18 0.05 1 308 . 33 ARG H H 8.606 0.05 1 309 . 33 ARG HA H 5.694 0.05 1 310 . 33 ARG HB2 H 1.752 0.05 2 311 . 33 ARG HB3 H 1.849 0.05 2 312 . 33 ARG HG2 H 1.57 0.05 1 313 . 33 ARG HG3 H 1.57 0.05 1 314 . 33 ARG HD2 H 2.944 0.05 2 315 . 33 ARG HD3 H 3.223 0.05 2 316 . 33 ARG C C 173.07 0.05 1 317 . 33 ARG CA C 52.43 0.05 1 318 . 33 ARG CB C 31.34 0.05 1 319 . 33 ARG CD C 40.83 0.05 1 320 . 33 ARG N N 117.9 0.05 1 321 . 34 CYS H H 9.348 0.05 1 322 . 34 CYS HA H 4.735 0.05 1 323 . 34 CYS HB2 H 3.416 0.05 2 324 . 34 CYS HB3 H 3.53 0.05 2 325 . 34 CYS C C 173.96 0.05 1 326 . 34 CYS CA C 51.27 0.05 1 327 . 34 CYS CB C 44.82 0.05 1 328 . 34 CYS N N 121.9 0.05 1 329 . 35 PRO HA H 4.716 0.05 1 330 . 35 PRO HG2 H 2.046 0.05 1 331 . 35 PRO HG3 H 2.046 0.05 1 332 . 35 PRO HD2 H 3.194 0.05 1 333 . 35 PRO HD3 H 3.194 0.05 1 334 . 36 ALA HA H 4.953 0.05 1 335 . 36 ALA HB H 0.334 0.05 1 336 . 36 ALA CA C 47.85 0.05 1 337 . 36 ALA CB C 21.42 0.05 1 338 . 37 GLY H H 7.578 0.05 1 339 . 37 GLY HA2 H 2.766 0.05 2 340 . 37 GLY HA3 H 4.066 0.05 2 341 . 37 GLY C C 172.82 0.05 1 342 . 37 GLY CA C 40.66 0.05 1 343 . 37 GLY N N 104.86 0.05 1 344 . 38 GLY H H 7.691 0.05 1 345 . 38 GLY HA2 H 3.45 0.05 2 346 . 38 GLY HA3 H 3.771 0.05 2 347 . 38 GLY C C 168.35 0.05 1 348 . 38 GLY CA C 42.31 0.05 1 349 . 38 GLY N N 103 0.05 1 350 . 39 ASN H H 8.354 0.05 1 351 . 39 ASN HA H 4.853 0.05 1 352 . 39 ASN HB2 H 2.674 0.05 2 353 . 39 ASN HB3 H 2.929 0.05 2 354 . 39 ASN HD21 H 7.227 0.05 2 355 . 39 ASN HD22 H 6.884 0.05 2 356 . 39 ASN C C 168.23 0.05 1 357 . 39 ASN CA C 48.59 0.05 1 358 . 39 ASN CB C 38.56 0.05 1 359 . 39 ASN N N 116.93 0.05 1 360 . 40 PRO HA H 4.827 0.05 1 361 . 40 PRO HB2 H 2.944 0.05 2 362 . 40 PRO HB3 H 2.698 0.05 2 363 . 40 PRO HG2 H 2.095 0.05 1 364 . 40 PRO HG3 H 2.095 0.05 1 365 . 40 PRO HD2 H 4.004 0.05 1 366 . 40 PRO HD3 H 4.004 0.05 1 367 . 40 PRO CA C 60.88 0.05 1 368 . 40 PRO CB C 32.57 0.05 1 369 . 40 PRO CG C 31.11 0.05 1 370 . 40 PRO CD C 53.07 0.05 1 371 . 41 MET H H 8.762 0.05 1 372 . 41 MET HA H 4.495 0.05 1 373 . 41 MET HB2 H 2.124 0.05 2 374 . 41 MET HB3 H 2.245 0.05 2 375 . 41 MET HG2 H 2.87 0.05 1 376 . 41 MET HG3 H 2.87 0.05 1 377 . 41 MET C C 173.55 0.05 1 378 . 41 MET CA C 51.45 0.05 1 379 . 41 MET CB C 29.44 0.05 1 380 . 41 MET CG C 28.81 0.05 1 381 . 41 MET N N 122.6 0.05 1 382 . 42 PRO HA H 4.715 0.05 1 383 . 42 PRO HB2 H 2.092 0.05 2 384 . 42 PRO HB3 H 2.227 0.05 2 385 . 42 PRO HG2 H 1.882 0.05 1 386 . 42 PRO HG3 H 1.882 0.05 1 387 . 42 PRO HD2 H 3.882 0.05 1 388 . 42 PRO HD3 H 3.882 0.05 1 389 . 42 PRO CA C 60.09 0.05 1 390 . 42 PRO CB C 31.82 0.05 1 391 . 43 THR H H 8.769 0.05 1 392 . 43 THR HA H 4.567 0.05 1 393 . 43 THR HB H 4.328 0.05 1 394 . 43 THR HG2 H 1.279 0.05 1 395 . 43 THR C C 172.72 0.05 1 396 . 43 THR CA C 58.31 0.05 1 397 . 43 THR CB C 68.9 0.05 1 398 . 43 THR CG2 C 19.35 0.05 1 399 . 43 THR N N 109.48 0.05 1 400 . 44 MET H H 8.714 0.05 1 401 . 44 MET HA H 5.582 0.05 1 402 . 44 MET HB2 H 2.15 0.05 1 403 . 44 MET HB3 H 2.15 0.05 1 404 . 44 MET HG2 H 2.301 0.05 1 405 . 44 MET HG3 H 2.301 0.05 1 406 . 44 MET C C 171.22 0.05 1 407 . 44 MET CA C 52.17 0.05 1 408 . 44 MET CB C 34.39 0.05 1 409 . 44 MET N N 120.52 0.05 1 410 . 45 ARG H H 8.874 0.05 1 411 . 45 ARG HA H 4.861 0.05 1 412 . 45 ARG HB2 H 1.649 0.05 2 413 . 45 ARG HB3 H 1.841 0.05 2 414 . 45 ARG HG2 H 1.425 0.05 1 415 . 45 ARG HG3 H 1.425 0.05 1 416 . 45 ARG HD2 H 3.148 0.05 1 417 . 45 ARG HD3 H 3.148 0.05 1 418 . 45 ARG C C 172.13 0.05 1 419 . 45 ARG CA C 52.3 0.05 1 420 . 45 ARG CB C 30.96 0.05 1 421 . 45 ARG N N 125.1 0.05 1 422 . 46 TRP H H 8.788 0.05 1 423 . 46 TRP HA H 5.628 0.05 1 424 . 46 TRP HB2 H 3.06 0.05 2 425 . 46 TRP HB3 H 3.134 0.05 2 426 . 46 TRP HD1 H 7.245 0.05 1 427 . 46 TRP HE1 H 10.15 0.05 1 428 . 46 TRP HZ2 H 7.996 0.05 1 429 . 46 TRP HZ3 H 7.245 0.05 1 430 . 46 TRP HH2 H 6.792 0.05 1 431 . 46 TRP C C 171.02 0.05 1 432 . 46 TRP CA C 54.06 0.05 1 433 . 46 TRP CB C 29.32 0.05 1 434 . 46 TRP N N 119.03 0.05 1 435 . 47 LEU H H 9.668 0.05 1 436 . 47 LEU HA H 4.989 0.05 1 437 . 47 LEU HB2 H 1.437 0.05 1 438 . 47 LEU HB3 H 1.437 0.05 1 439 . 47 LEU HG H 1.125 0.05 1 440 . 47 LEU HD1 H 0.616 0.05 1 441 . 47 LEU HD2 H 0.947 0.05 1 442 . 47 LEU C C 173.20 0.05 1 443 . 47 LEU CA C 50.44 0.05 1 444 . 47 LEU CB C 41.64 0.05 1 445 . 47 LEU CD1 C 22.84 0.05 1 446 . 47 LEU CD2 C 22.84 0.05 1 447 . 47 LEU N N 121.45 0.05 1 448 . 48 LYS H H 8.833 0.05 1 449 . 48 LYS HA H 4.551 0.05 1 450 . 48 LYS HB2 H 1.458 0.05 1 451 . 48 LYS HB3 H 1.458 0.05 1 452 . 48 LYS HG2 H 0.554 0.05 2 453 . 48 LYS HG3 H 0.604 0.05 2 454 . 48 LYS HD2 H 1.07 0.05 1 455 . 48 LYS HD3 H 1.07 0.05 1 456 . 48 LYS HE2 H 3.068 0.05 2 457 . 48 LYS HE3 H 3.108 0.05 2 458 . 48 LYS C C 173.94 0.05 1 459 . 48 LYS CA C 51.93 0.05 1 460 . 48 LYS CB C 32.06 0.05 1 461 . 48 LYS N N 121.19 0.05 1 462 . 49 ASN H H 9.667 0.05 1 463 . 49 ASN HA H 4.377 0.05 1 464 . 49 ASN HB2 H 2.868 0.05 2 465 . 49 ASN HB3 H 2.968 0.05 2 466 . 49 ASN HD21 H 7.762 0.05 2 467 . 49 ASN HD22 H 7.105 0.05 2 468 . 49 ASN C C 174.23 0.05 1 469 . 49 ASN CA C 51.48 0.05 1 470 . 49 ASN CB C 34.28 0.05 1 471 . 49 ASN N N 127.87 0.05 1 472 . 50 GLY H H 8.532 0.05 1 473 . 50 GLY HA2 H 3.451 0.05 2 474 . 50 GLY HA3 H 4.103 0.05 2 475 . 50 GLY C C 173.42 0.05 1 476 . 50 GLY CA C 43.23 0.05 1 477 . 50 GLY N N 101.43 0.05 1 478 . 51 LYS H H 7.629 0.05 1 479 . 51 LYS HA H 4.743 0.05 1 480 . 51 LYS HB2 H 1.984 0.05 1 481 . 51 LYS HB3 H 1.984 0.05 1 482 . 51 LYS HG2 H 1.47 0.05 1 483 . 51 LYS HG3 H 1.47 0.05 1 484 . 51 LYS HD2 H 1.753 0.05 2 485 . 51 LYS HD3 H 1.825 0.05 2 486 . 51 LYS HE2 H 3.041 0.05 1 487 . 51 LYS HE3 H 3.041 0.05 1 488 . 51 LYS C C 170.93 0.05 1 489 . 51 LYS CA C 51.81 0.05 1 490 . 51 LYS CB C 32.97 0.05 1 491 . 51 LYS CG C 22.32 0.05 1 492 . 51 LYS CE C 40.83 0.05 1 493 . 51 LYS N N 120.35 0.05 1 494 . 52 GLU H H 8.87 0.05 1 495 . 52 GLU HA H 4.062 0.05 1 496 . 52 GLU HB2 H 2.049 0.05 1 497 . 52 GLU HB3 H 2.049 0.05 1 498 . 52 GLU HG2 H 2.464 0.05 1 499 . 52 GLU HG3 H 2.464 0.05 1 500 . 52 GLU C C 173.06 0.05 1 501 . 52 GLU CA C 56.43 0.05 1 502 . 52 GLU CB C 27.22 0.05 1 503 . 52 GLU CG C 33.96 0.05 1 504 . 52 GLU N N 123.27 0.05 1 505 . 53 PHE H H 8.681 0.05 1 506 . 53 PHE HA H 5.639 0.05 1 507 . 53 PHE HB2 H 3.102 0.05 2 508 . 53 PHE HB3 H 3.212 0.05 2 509 . 53 PHE HD1 H 7.053 0.05 1 510 . 53 PHE HD2 H 7.053 0.05 1 511 . 53 PHE HE1 H 6.982 0.05 1 512 . 53 PHE HE2 H 6.982 0.05 1 513 . 53 PHE CA C 51.96 0.05 1 514 . 53 PHE CB C 41.76 0.05 1 515 . 53 PHE N N 127.86 0.05 1 516 . 55 GLN H H 8.679 0.05 1 517 . 55 GLN HA H 4.678 0.05 1 518 . 55 GLN HB2 H 1.977 0.05 1 519 . 55 GLN HB3 H 1.977 0.05 1 520 . 55 GLN HG2 H 3.273 0.05 1 521 . 55 GLN HG3 H 3.273 0.05 1 522 . 55 GLN HE21 H 7.555 0.05 2 523 . 55 GLN HE22 H 6.855 0.05 2 524 . 55 GLN C C 174.56 0.05 1 525 . 55 GLN CA C 57.01 0.05 1 526 . 55 GLN CB C 25.53 0.05 1 527 . 55 GLN N N 120.48 0.05 1 528 . 56 GLU H H 8.621 0.05 1 529 . 56 GLU HA H 4.197 0.05 1 530 . 56 GLU HB2 H 1.974 0.05 1 531 . 56 GLU HB3 H 1.974 0.05 1 532 . 56 GLU HG2 H 2.38 0.05 2 533 . 56 GLU HG3 H 2.419 0.05 2 534 . 56 GLU C C 174.89 0.05 1 535 . 56 GLU CA C 55.15 0.05 1 536 . 56 GLU CB C 26.25 0.05 1 537 . 56 GLU CG C 34.24 0.05 1 538 . 56 GLU N N 111.71 0.05 1 539 . 57 HIS H H 8.004 0.05 1 540 . 57 HIS HA H 4.771 0.05 1 541 . 57 HIS HB2 H 3.527 0.05 2 542 . 57 HIS HB3 H 3.779 0.05 2 543 . 57 HIS HD2 H 7.032 0.05 1 544 . 57 HIS HE1 H 7.733 0.05 1 545 . 57 HIS C C 174.84 0.05 1 546 . 57 HIS CA C 54.22 0.05 1 547 . 57 HIS CB C 29.84 0.05 1 548 . 57 HIS N N 119.39 0.05 1 549 . 58 ARG H H 7.724 0.05 1 550 . 58 ARG HA H 4.798 0.05 1 551 . 58 ARG HB2 H 1.785 0.05 2 552 . 58 ARG HB3 H 2.02 0.05 2 553 . 58 ARG HG2 H 1.364 0.05 2 554 . 58 ARG HG3 H 1.51 0.05 2 555 . 58 ARG HD2 H 3.263 0.05 1 556 . 58 ARG HD3 H 3.263 0.05 1 557 . 58 ARG C C 172.74 0.05 1 558 . 58 ARG CA C 52.81 0.05 1 559 . 58 ARG N N 115.67 0.05 1 560 . 59 ILE H H 8.768 0.05 1 561 . 59 ILE HA H 3.894 0.05 1 562 . 59 ILE HB H 1.895 0.05 1 563 . 59 ILE HG12 H 1.316 0.05 1 564 . 59 ILE HG13 H 1.579 0.05 1 565 . 59 ILE HG2 H 0.392 0.05 1 566 . 59 ILE HD1 H 0.887 0.05 1 567 . 59 ILE C C 172.79 0.05 1 568 . 59 ILE CA C 60.72 0.05 1 569 . 59 ILE CB C 34.13 0.05 1 570 . 59 ILE CG1 C 25.72 0.05 1 571 . 59 ILE CD1 C 9.738 0.05 1 572 . 59 ILE N N 126.56 0.05 1 573 . 60 GLY H H 8.873 0.05 1 574 . 60 GLY HA2 H 3.6 0.05 2 575 . 60 GLY HA3 H 4.26 0.05 2 576 . 60 GLY C C 174.03 0.05 1 577 . 60 GLY CA C 42.43 0.05 1 578 . 60 GLY N N 116 0.05 1 579 . 61 GLY H H 8.037 0.05 1 580 . 61 GLY HA2 H 4.081 0.05 2 581 . 61 GLY HA3 H 4.72 0.05 2 582 . 61 GLY C C 172.68 0.05 1 583 . 61 GLY CA C 43.52 0.05 1 584 . 61 GLY N N 108.435 0.05 1 585 . 62 TYR H H 7.582 0.05 1 586 . 62 TYR HA H 5.01 0.05 1 587 . 62 TYR HB2 H 3.15 0.05 1 588 . 62 TYR HB3 H 3.15 0.05 1 589 . 62 TYR HD1 H 6.613 0.05 1 590 . 62 TYR HD2 H 6.613 0.05 1 591 . 62 TYR HE1 H 6.879 0.05 1 592 . 62 TYR HE2 H 6.879 0.05 1 593 . 62 TYR N N 120.18 0.05 1 594 . 63 LYS H H 8.803 0.05 1 595 . 63 LYS HA H 4.779 0.05 1 596 . 63 LYS HB2 H 1.621 0.05 1 597 . 63 LYS HB3 H 1.621 0.05 1 598 . 63 LYS HG2 H 1.317 0.05 1 599 . 63 LYS HG3 H 1.317 0.05 1 600 . 63 LYS HE2 H 2.661 0.05 2 601 . 63 LYS HE3 H 2.934 0.05 2 602 . 63 LYS C C 171.52 0.05 1 603 . 63 LYS CA C 52.41 0.05 1 604 . 63 LYS N N 120.07 0.05 1 605 . 64 VAL H H 8.53 0.05 1 606 . 64 VAL HA H 5.021 0.05 1 607 . 64 VAL HB H 2.07 0.05 1 608 . 64 VAL HG1 H 1.085 0.05 1 609 . 64 VAL HG2 H 1.085 0.05 1 610 . 64 VAL C C 173.16 0.05 1 611 . 64 VAL CA C 57.9 0.05 1 612 . 64 VAL CB C 32.24 0.05 1 613 . 64 VAL CG1 C 18.7 0.05 1 614 . 64 VAL CG2 C 18.06 0.05 1 615 . 64 VAL N N 120.48 0.05 1 616 . 65 ARG H H 8.399 0.05 1 617 . 65 ARG HA H 4.768 0.05 1 618 . 65 ARG HB2 H 1.8 0.05 1 619 . 65 ARG HB3 H 1.8 0.05 1 620 . 65 ARG HG2 H 1.552 0.05 1 621 . 65 ARG HG3 H 1.552 0.05 1 622 . 65 ARG C C 173.37 0.05 1 623 . 65 ARG CA C 51.41 0.05 1 624 . 65 ARG N N 124.72 0.05 1 625 . 67 GLN CA C 53.53 0.05 1 626 . 68 HIS H H 8.171 0.05 1 627 . 68 HIS HA H 4.426 0.05 1 628 . 68 HIS HB2 H 3.063 0.05 2 629 . 68 HIS HB3 H 3.2 0.05 2 630 . 68 HIS HD2 H 7.252 0.05 1 631 . 68 HIS C C 171.54 0.05 1 632 . 68 HIS CA C 54.29 0.05 1 633 . 68 HIS CB C 27.75 0.05 1 634 . 68 HIS N N 125 0.05 1 635 . 69 TRP H H 9.229 0.05 1 636 . 69 TRP HA H 4.773 0.05 1 637 . 69 TRP HB2 H 2.115 0.05 2 638 . 69 TRP HB3 H 2.272 0.05 2 639 . 69 TRP HD1 H 7.247 0.05 1 640 . 69 TRP HE1 H 10.08 0.05 1 641 . 69 TRP HZ3 H 7.247 0.05 1 642 . 69 TRP HH2 H 6.986 0.05 1 643 . 69 TRP CA C 55.36 0.05 1 644 . 69 TRP N N 126.18 0.05 1 645 . 70 SER H H 7.88 0.05 1 646 . 70 SER HA H 6.053 0.05 1 647 . 70 SER HB2 H 3.601 0.05 1 648 . 70 SER HB3 H 3.601 0.05 1 649 . 70 SER C C 172.72 0.05 1 650 . 70 SER CA C 54.43 0.05 1 651 . 70 SER CB C 65.36 0.05 1 652 . 70 SER N N 110.46 0.05 1 653 . 71 LEU H H 8.652 0.05 1 654 . 71 LEU HA H 4.65 0.05 1 655 . 71 LEU HB2 H 0.321 0.05 1 656 . 71 LEU HB3 H 0.321 0.05 1 657 . 71 LEU HG H -0.003 0.05 1 658 . 71 LEU HD1 H -0.353 0.05 1 659 . 71 LEU HD2 H -0.353 0.05 1 660 . 71 LEU C C 169.93 0.05 1 661 . 71 LEU CA C 50.65 0.05 1 662 . 71 LEU CB C 41 0.05 1 663 . 71 LEU CG C 23.86 0.05 1 664 . 71 LEU N N 124.86 0.05 1 665 . 72 ILE H H 9.033 0.05 1 666 . 72 ILE HA H 4.608 0.05 1 667 . 72 ILE HB H 1.566 0.05 1 668 . 72 ILE HG12 H 1.069 0.05 1 669 . 72 ILE HG13 H 1.314 0.05 1 670 . 72 ILE HG2 H 0.811 0.05 1 671 . 72 ILE HD1 H 0.67 0.05 1 672 . 72 ILE C C 171.90 0.05 1 673 . 72 ILE CA C 57.95 0.05 1 674 . 72 ILE N N 125.12 0.05 1 675 . 73 MET H H 8.533 0.05 1 676 . 73 MET HA H 4.551 0.05 1 677 . 73 MET HB2 H 1.35 0.05 1 678 . 73 MET HB3 H 1.35 0.05 1 679 . 73 MET HG2 H 1.573 0.05 1 680 . 73 MET HG3 H 1.573 0.05 1 681 . 73 MET C C 173.33 0.05 1 682 . 73 MET CA C 52.33 0.05 1 683 . 73 MET CB C 33.49 0.05 1 684 . 73 MET N N 125.36 0.05 1 685 . 74 GLU H H 8.594 0.05 1 686 . 74 GLU HA H 4.426 0.05 1 687 . 74 GLU HB2 H 1.849 0.05 1 688 . 74 GLU HB3 H 1.849 0.05 1 689 . 74 GLU HG2 H 2.112 0.05 1 690 . 74 GLU HG3 H 2.112 0.05 1 691 . 74 GLU C C 171.42 0.05 1 692 . 74 GLU CA C 53.29 0.05 1 693 . 74 GLU CB C 28.22 0.05 1 694 . 74 GLU N N 122.01 0.05 1 695 . 75 SER H H 8.203 0.05 1 696 . 75 SER HA H 3.825 0.05 1 697 . 75 SER HB2 H 3.415 0.05 2 698 . 75 SER HB3 H 3.672 0.05 2 699 . 75 SER C C 174.08 0.05 1 700 . 75 SER CA C 55.31 0.05 1 701 . 75 SER CB C 59.13 0.05 1 702 . 75 SER N N 116.04 0.05 1 703 . 76 VAL H H 8.385 0.05 1 704 . 76 VAL HA H 4.002 0.05 1 705 . 76 VAL HB H 2.094 0.05 1 706 . 76 VAL HG1 H 0.781 0.05 1 707 . 76 VAL HG2 H 0.781 0.05 1 708 . 76 VAL C C 171.87 0.05 1 709 . 76 VAL CA C 60.79 0.05 1 710 . 76 VAL CB C 30.28 0.05 1 711 . 76 VAL CG1 C 20.65 0.05 1 712 . 76 VAL CG2 C 20.46 0.05 1 713 . 76 VAL N N 115.86 0.05 1 714 . 77 VAL H H 9.123 0.05 1 715 . 77 VAL HA H 4.802 0.05 1 716 . 77 VAL HB H 2.401 0.05 1 717 . 77 VAL HG1 H 0.818 0.05 2 718 . 77 VAL HG2 H 1.053 0.05 2 719 . 77 VAL C C 174.05 0.05 1 720 . 77 VAL CA C 56.15 0.05 1 721 . 77 VAL CB C 30.68 0.05 1 722 . 77 VAL CG1 C 17.82 0.05 2 723 . 77 VAL CG2 C 17.35 0.05 2 724 . 77 VAL N N 117.05 0.05 1 725 . 78 PRO CA C 64.85 0.05 1 726 . 78 PRO CB C 29.63 0.05 1 727 . 79 SER H H 8.064 0.05 1 728 . 79 SER HA H 4.748 0.05 1 729 . 79 SER HB2 H 4.325 0.05 1 730 . 79 SER HB3 H 4.325 0.05 1 731 . 79 SER C C 175.78 0.05 1 732 . 79 SER CA C 57.77 0.05 1 733 . 79 SER CB C 60.65 0.05 1 734 . 79 SER N N 109.1 0.05 1 735 . 80 ASP H H 8.839 0.05 1 736 . 80 ASP HA H 4.717 0.05 1 737 . 80 ASP HB2 H 2.611 0.05 1 738 . 80 ASP HB3 H 2.611 0.05 1 739 . 80 ASP C C 173.00 0.05 1 740 . 80 ASP CA C 53.24 0.05 1 741 . 80 ASP CB C 38.97 0.05 1 742 . 80 ASP N N 119.9 0.05 1 743 . 81 LYS H H 7.755 0.05 1 744 . 81 LYS HA H 4.148 0.05 1 745 . 81 LYS HB2 H 2.248 0.05 1 746 . 81 LYS HB3 H 2.248 0.05 1 747 . 81 LYS HG2 H 1.548 0.05 1 748 . 81 LYS HG3 H 1.548 0.05 1 749 . 81 LYS HD2 H 1.78 0.05 1 750 . 81 LYS HD3 H 1.957 0.05 1 751 . 81 LYS HE2 H 2.989 0.05 1 752 . 81 LYS HE3 H 2.989 0.05 1 753 . 81 LYS C C 174.30 0.05 1 754 . 81 LYS CA C 55.21 0.05 1 755 . 81 LYS CB C 30.39 0.05 1 756 . 81 LYS N N 121.57 0.05 1 757 . 82 GLY H H 8.414 0.05 1 758 . 82 GLY HA2 H 3.91 0.05 1 759 . 82 GLY HA3 H 4.171 0.05 1 760 . 82 GLY C C 172.70 0.05 1 761 . 82 GLY CA C 42.1 0.05 1 762 . 82 GLY N N 108.53 0.05 1 763 . 83 ASN H H 8.029 0.05 1 764 . 83 ASN HA H 5.681 0.05 1 765 . 83 ASN HB2 H 2.254 0.05 2 766 . 83 ASN HB3 H 2.679 0.05 2 767 . 83 ASN HD21 H 7.666 0.05 2 768 . 83 ASN HD22 H 7.181 0.05 2 769 . 83 ASN C C 168.36 0.05 1 770 . 83 ASN CA C 48.91 0.05 1 771 . 83 ASN CB C 37.81 0.05 1 772 . 83 ASN N N 116.85 0.05 1 773 . 84 TYR H H 9.635 0.05 1 774 . 84 TYR HA H 5.33 0.05 1 775 . 84 TYR HB2 H 2.387 0.05 2 776 . 84 TYR HB3 H 2.709 0.05 2 777 . 84 TYR C C 172.30 0.05 1 778 . 84 TYR CA C 55.13 0.05 1 779 . 84 TYR CB C 38.46 0.05 1 780 . 84 TYR N N 125.44 0.05 1 781 . 85 THR H H 9.147 0.05 1 782 . 85 THR HA H 5.62 0.05 1 783 . 85 THR HB H 3.578 0.05 1 784 . 85 THR HG2 H 0.93 0.05 1 785 . 85 THR C C 172.25 0.05 1 786 . 85 THR CA C 57.97 0.05 1 787 . 85 THR CB C 70.08 0.05 1 788 . 85 THR CG2 C 22.84 0.05 1 789 . 85 THR N N 121.63 0.05 1 790 . 86 CYS H H 9.052 0.05 1 791 . 86 CYS HA H 4.338 0.05 1 792 . 86 CYS HB2 H 2.501 0.05 1 793 . 86 CYS HB3 H 2.501 0.05 1 794 . 86 CYS C C 171.13 0.05 1 795 . 86 CYS CA C 50.55 0.05 1 796 . 86 CYS CB C 39.63 0.05 1 797 . 86 CYS N N 124.08 0.05 1 798 . 87 VAL H H 8.847 0.05 1 799 . 87 VAL HA H 4.366 0.05 1 800 . 87 VAL HB H 1.699 0.05 1 801 . 87 VAL HG1 H 0.683 0.05 1 802 . 87 VAL HG2 H 0.683 0.05 1 803 . 87 VAL C C 170.08 0.05 1 804 . 87 VAL CA C 59.52 0.05 1 805 . 87 VAL CB C 30.27 0.05 1 806 . 87 VAL CG1 C 18.71 0.05 1 807 . 87 VAL CG2 C 18.2 0.05 1 808 . 87 VAL N N 124.18 0.05 1 809 . 88 VAL H H 8.944 0.05 1 810 . 88 VAL HA H 5.178 0.05 1 811 . 88 VAL HB H 1.64 0.05 1 812 . 88 VAL HG1 H 0.693 0.05 2 813 . 88 VAL HG2 H 0.95 0.05 2 814 . 88 VAL C C 172.90 0.05 1 815 . 88 VAL CA C 58.93 0.05 1 816 . 88 VAL CB C 30.66 0.05 1 817 . 88 VAL N N 129.53 0.05 1 818 . 89 GLU H H 8.417 0.05 1 819 . 89 GLU HA H 5.374 0.05 1 820 . 89 GLU HB2 H 1.863 0.05 1 821 . 89 GLU HB3 H 1.863 0.05 1 822 . 89 GLU HG2 H 2.098 0.05 1 823 . 89 GLU HG3 H 2.098 0.05 1 824 . 89 GLU C C 172.75 0.05 1 825 . 89 GLU CA C 52.62 0.05 1 826 . 89 GLU CB C 32.43 0.05 1 827 . 89 GLU CG C 32.72 0.05 1 828 . 89 GLU N N 123 0.05 1 829 . 90 ASN H H 8.881 0.05 1 830 . 90 ASN HA H 4.735 0.05 1 831 . 90 ASN HB2 H 3.351 0.05 2 832 . 90 ASN HB3 H 3.848 0.05 2 833 . 90 ASN HD21 H 8.369 0.05 2 834 . 90 ASN HD22 H 7.266 0.05 2 835 . 90 ASN C C 172.90 0.05 1 836 . 90 ASN CA C 49.63 0.05 1 837 . 90 ASN CB C 38.17 0.05 1 838 . 90 ASN N N 119.69 0.05 1 839 . 91 GLU H H 9.133 0.05 1 840 . 91 GLU HA H 3.931 0.05 1 841 . 91 GLU HB2 H 1.471 0.05 2 842 . 91 GLU HB3 H 1.733 0.05 2 843 . 91 GLU HG2 H 2.065 0.05 2 844 . 91 GLU HG3 H 2.62 0.05 2 845 . 91 GLU C C 173.63 0.05 1 846 . 91 GLU CA C 56.3 0.05 1 847 . 91 GLU CB C 26.88 0.05 1 848 . 91 GLU N N 115.62 0.05 1 849 . 92 TYR H H 7.888 0.05 1 850 . 92 TYR HA H 4.594 0.05 1 851 . 92 TYR HB2 H 2.481 0.05 2 852 . 92 TYR HB3 H 3.369 0.05 2 853 . 92 TYR HD1 H 7.452 0.05 1 854 . 92 TYR HD2 H 7.452 0.05 1 855 . 92 TYR HE1 H 6.983 0.05 1 856 . 92 TYR HE2 H 6.983 0.05 1 857 . 92 TYR C C 173.73 0.05 1 858 . 92 TYR CA C 55.6 0.05 1 859 . 92 TYR CB C 36.45 0.05 1 860 . 92 TYR N N 116.37 0.05 1 861 . 93 GLY H H 7.728 0.05 1 862 . 93 GLY HA2 H 4.044 0.05 2 863 . 93 GLY HA3 H 4.339 0.05 2 864 . 93 GLY C C 173.19 0.05 1 865 . 93 GLY CA C 43.74 0.05 1 866 . 93 GLY N N 107.05 0.05 1 867 . 94 SER H H 8.054 0.05 1 868 . 94 SER HA H 5.372 0.05 1 869 . 94 SER HB2 H 3.603 0.05 1 870 . 94 SER HB3 H 3.603 0.05 1 871 . 94 SER C C 167.43 0.05 1 872 . 94 SER CA C 53.94 0.05 1 873 . 94 SER CB C 63.27 0.05 1 874 . 94 SER N N 111.36 0.05 1 875 . 95 ILE H H 8.841 0.05 1 876 . 95 ILE HA H 4.684 0.05 1 877 . 95 ILE HB H 1.604 0.05 1 878 . 95 ILE HG12 H 0.85 0.05 1 879 . 95 ILE HG13 H 1.307 0.05 1 880 . 95 ILE HG2 H 0.657 0.05 1 881 . 95 ILE HD1 H 0.45 0.05 1 882 . 95 ILE C C 171.00 0.05 1 883 . 95 ILE CA C 58.09 0.05 1 884 . 95 ILE CB C 38.91 0.05 1 885 . 95 ILE N N 119.73 0.05 1 886 . 96 ASN H H 8.719 0.05 1 887 . 96 ASN HA H 6.046 0.05 1 888 . 96 ASN HB2 H 2.357 0.05 2 889 . 96 ASN HB3 H 2.678 0.05 2 890 . 96 ASN HD21 H 6.824 0.05 2 891 . 96 ASN HD22 H 7.495 0.05 2 892 . 96 ASN C C 171.12 0.05 1 893 . 96 ASN CA C 50.4 0.05 1 894 . 96 ASN CB C 40.92 0.05 1 895 . 96 ASN N N 114.65 0.05 1 896 . 97 HIS H H 8.217 0.05 1 897 . 97 HIS HA H 4.687 0.05 1 898 . 97 HIS HB2 H 2.564 0.05 1 899 . 97 HIS HB3 H 2.564 0.05 1 900 . 97 HIS HD2 H 6.801 0.05 1 901 . 97 HIS HE1 H 7.452 0.05 1 902 . 97 HIS C C 170.94 0.05 1 903 . 97 HIS CA C 54.26 0.05 1 904 . 97 HIS CB C 32.21 0.05 1 905 . 97 HIS N N 119.9 0.05 1 906 . 98 THR H H 7.102 0.05 1 907 . 98 THR HA H 5.048 0.05 1 908 . 98 THR HB H 3.511 0.05 1 909 . 98 THR HG2 H 0.825 0.05 1 910 . 98 THR C C 170.33 0.05 1 911 . 98 THR CA C 59.96 0.05 1 912 . 98 THR CB C 68.63 0.05 1 913 . 98 THR N N 120.46 0.05 1 914 . 99 TYR H H 9.245 0.05 1 915 . 99 TYR HA H 4.902 0.05 1 916 . 99 TYR HB2 H 1.849 0.05 2 917 . 99 TYR HB3 H 2.47 0.05 2 918 . 99 TYR HD1 H 7.147 0.05 1 919 . 99 TYR HD2 H 7.147 0.05 1 920 . 99 TYR HE1 H 6.776 0.05 1 921 . 99 TYR HE2 H 6.776 0.05 1 922 . 99 TYR C C 170.01 0.05 1 923 . 99 TYR CA C 54.34 0.05 1 924 . 99 TYR CB C 39.74 0.05 1 925 . 99 TYR N N 125.12 0.05 1 926 . 100 HIS H H 9.269 0.05 1 927 . 100 HIS HA H 5.355 0.05 1 928 . 100 HIS HB2 H 3.172 0.05 2 929 . 100 HIS HB3 H 3.225 0.05 2 930 . 100 HIS HD2 H 6.971 0.05 1 931 . 100 HIS HE1 H 7.223 0.05 1 932 . 100 HIS C C 172.33 0.05 1 933 . 100 HIS CA C 52.96 0.05 1 934 . 100 HIS CB C 28.37 0.05 1 935 . 100 HIS N N 120.47 0.05 1 936 . 101 LEU H H 8.991 0.05 1 937 . 101 LEU HA H 5.305 0.05 1 938 . 101 LEU HB2 H 2.319 0.05 1 939 . 101 LEU HB3 H 2.319 0.05 1 940 . 101 LEU HG H 1.344 0.05 1 941 . 101 LEU HD1 H 0.907 0.05 1 942 . 101 LEU HD2 H 0.64 0.05 1 943 . 101 LEU C C 170.19 0.05 1 944 . 101 LEU CA C 51.22 0.05 1 945 . 101 LEU CB C 43.09 0.05 1 946 . 101 LEU N N 128.24 0.05 1 947 . 102 ASP H H 9.109 0.05 1 948 . 102 ASP HA H 5.098 0.05 1 949 . 102 ASP HB2 H 2.553 0.05 2 950 . 102 ASP HB3 H 2.642 0.05 2 951 . 102 ASP C C 172.06 0.05 1 952 . 102 ASP CA C 50.98 0.05 1 953 . 102 ASP CB C 41.41 0.05 1 954 . 102 ASP N N 126.56 0.05 1 955 . 103 VAL H H 7.725 0.05 1 956 . 103 VAL HA H 4.903 0.05 1 957 . 103 VAL HB H 1.765 0.05 1 958 . 103 VAL HG1 H 0.602 0.05 2 959 . 103 VAL HG2 H 0.727 0.05 2 960 . 103 VAL C C 172.11 0.05 1 961 . 103 VAL CA C 58.71 0.05 1 962 . 103 VAL CB C 31.24 0.05 1 963 . 103 VAL CG1 C 17.32 0.05 2 964 . 103 VAL CG2 C 17.02 0.05 2 965 . 103 VAL N N 122.36 0.05 1 966 . 104 VAL H H 8.355 0.05 1 967 . 104 VAL HA H 4.204 0.05 1 968 . 104 VAL HB H 1.805 0.05 1 969 . 104 VAL HG1 H 0.628 0.05 2 970 . 104 VAL HG2 H 0.829 0.05 2 971 . 104 VAL C C 173.19 0.05 1 972 . 104 VAL CA C 58.64 0.05 1 973 . 104 VAL CB C 31.07 0.05 1 974 . 104 VAL N N 126.18 0.05 1 975 . 105 LEU H H 8.546 0.05 1 976 . 105 LEU HA H 4.445 0.05 1 977 . 105 LEU HB2 H 1.588 0.05 1 978 . 105 LEU HB3 H 1.588 0.05 1 979 . 105 LEU HG H 1.313 0.05 1 980 . 105 LEU HD1 H 0.871 0.05 1 981 . 105 LEU HD2 H 0.871 0.05 1 982 . 105 LEU C C 172.86 0.05 1 983 . 105 LEU CA C 52.5 0.05 1 984 . 105 LEU CB C 39.87 0.05 1 985 . 105 LEU N N 126.35 0.05 1 986 . 106 VAL H H 8.116 0.05 1 987 . 106 VAL HA H 4.43 0.05 1 988 . 106 VAL HB H 2.038 0.05 1 989 . 106 VAL HG1 H 0.903 0.05 2 990 . 106 VAL HG2 H 0.949 0.05 2 991 . 106 VAL C C 174.42 0.05 1 992 . 106 VAL CA C 57.35 0.05 1 993 . 106 VAL CB C 30.37 0.05 1 994 . 106 VAL CG1 C 18.37 0.05 1 995 . 106 VAL CG2 C 18.37 0.05 1 996 . 106 VAL N N 122.53 0.05 1 997 . 107 PRO HA H 4.369 0.05 1 998 . 107 PRO HB2 H 2.038 0.05 2 999 . 107 PRO HB3 H 2.262 0.05 2 1000 . 107 PRO HG2 H 1.877 0.05 2 1001 . 107 PRO HG3 H 1.934 0.05 2 1002 . 107 PRO HD2 H 3.66 0.05 2 1003 . 107 PRO HD3 H 3.832 0.05 2 1004 . 107 PRO CA C 60.78 0.05 1 1005 . 107 PRO CB C 28.59 0.05 1 1006 . 107 PRO CG C 29.99 0.05 1 1007 . 107 PRO CD C 48.95 0.05 1 1008 . 108 ARG H H 8.508 0.05 1 1009 . 108 ARG HA H 4.282 0.05 1 1010 . 108 ARG HB2 H 1.812 0.05 2 1011 . 108 ARG HB3 H 1.86 0.05 2 1012 . 108 ARG HG2 H 1.689 0.05 1 1013 . 108 ARG HG3 H 1.689 0.05 1 1014 . 108 ARG HD2 H 3.174 0.05 2 1015 . 108 ARG HD3 H 3.213 0.05 2 1016 . 108 ARG C C 174.63 0.05 1 1017 . 108 ARG CA C 54.29 0.05 1 1018 . 108 ARG CB C 27.09 0.05 1 1019 . 108 ARG CD C 41 0.05 1 1020 . 108 ARG N N 121.9 0.05 1 1021 . 109 GLY H H 8.503 0.05 1 1022 . 109 GLY HA2 H 3.966 0.05 1 1023 . 109 GLY HA3 H 3.966 0.05 1 1024 . 109 GLY C C 174.86 0.05 1 1025 . 109 GLY CA C 43.08 0.05 1 1026 . 109 GLY N N 110 0.05 1 1027 . 110 SER H H 8.167 0.05 1 1028 . 110 SER HA H 4.46 0.05 1 1029 . 110 SER HB2 H 3.957 0.05 1 1030 . 110 SER HB3 H 3.957 0.05 1 1031 . 110 SER C C 171.95 0.05 1 1032 . 110 SER CA C 56.34 0.05 1 1033 . 110 SER CB C 59.15 0.05 1 1034 . 110 SER N N 115.2 0.05 1 1035 . 111 LEU H H 8.281 0.05 1 1036 . 111 LEU HA H 4.391 0.05 1 1037 . 111 LEU HB2 H 1.571 0.05 2 1038 . 111 LEU HB3 H 1.771 0.05 2 1039 . 111 LEU HG H 1.401 0.05 1 1040 . 111 LEU HD1 H 0.887 0.05 1 1041 . 111 LEU HD2 H 0.887 0.05 1 1042 . 111 LEU C C 172.46 0.05 1 1043 . 111 LEU CA C 53.03 0.05 1 1044 . 111 LEU CB C 40.12 0.05 1 1045 . 111 LEU N N 123.5 0.05 1 1046 . 112 GLU H H 8.185 0.05 1 1047 . 112 GLU HA H 4.287 0.05 1 1048 . 112 GLU HB2 H 1.829 0.05 1 1049 . 112 GLU HB3 H 1.829 0.05 1 1050 . 112 GLU HG2 H 2.215 0.05 1 1051 . 112 GLU HG3 H 2.215 0.05 1 1052 . 112 GLU C C 175.05 0.05 1 1053 . 112 GLU CA C 54.29 0.05 1 1054 . 112 GLU N N 120.5 0.05 1 1055 . 113 HIS H H 8.27 0.05 1 1056 . 113 HIS C C 173.79 0.05 1 1057 . 113 HIS CA C 53.32 0.05 1 1058 . 113 HIS N N 119.4 0.05 1 stop_ save_