data_6431 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N assignments for the II-III loop region of the skeletal dyhydropyridine receptor ; _BMRB_accession_number 6431 _BMRB_flat_file_name bmr6431.str _Entry_type original _Submission_date 2004-12-13 _Accession_date 2004-12-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cui Yanfang . . 2 Karunasekara Yamuna . . 3 Harvey Peta J. . 4 Board Philip G. . 5 Dulhunty Angela F. . 6 Casarotto Marco G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 707 "13C chemical shifts" 510 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-08-16 original author . stop_ _Original_release_date 2005-08-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N assignments for the II-III loop region of the skeletal dyhydropyridine receptor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16041487 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cui Yanfang . . 2 Karunasekara Yamuna . . 3 Harvey Peta J. . 4 Board Philip G. . 5 Dulhunty Angela F. . 6 Casarotto Marco G. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 89 _Page_last 90 _Year 2005 _Details . loop_ _Keyword 'DHPR-RyR interaction' 'Excitation- contraction coupling' NMR protein 'skeletal muscle' stop_ save_ ################################## # Molecular system description # ################################## save_system_DHPR_II-III_loop _Saveframe_category molecular_system _Mol_system_name 'II-III loop region of the skeletal dyhydropyridine receptor' _Abbreviation_common 'DHPR II-III loop' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'II-III loop' $DHPR_II-III_loop stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function ; In skeletal muscle the II-III loop forms a physical interaction with the foot region of the ryanodine receptor (RyR) and any structural change in the II-III loop structure is thought to be transmitted to the RyR via this interaction. ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DHPR_II-III_loop _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'II-III loop region of the skeletal dyhydropyridine receptor' _Abbreviation_common 'DHPR II-III loop' _Molecular_mass 14134 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; EAESLTSAQKAKAEERKRRK MSRGLPDKTEEEKSVMAKKL EQKPKGEGIPTTAKLKVDEF ESNVNEVKDPYPSADFPGDD EEDEPEIPVSPRPRPLAELQ LKEKAVPIPEASSFFIFSPT NKVRVL ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ALA 3 GLU 4 SER 5 LEU 6 THR 7 SER 8 ALA 9 GLN 10 LYS 11 ALA 12 LYS 13 ALA 14 GLU 15 GLU 16 ARG 17 LYS 18 ARG 19 ARG 20 LYS 21 MET 22 SER 23 ARG 24 GLY 25 LEU 26 PRO 27 ASP 28 LYS 29 THR 30 GLU 31 GLU 32 GLU 33 LYS 34 SER 35 VAL 36 MET 37 ALA 38 LYS 39 LYS 40 LEU 41 GLU 42 GLN 43 LYS 44 PRO 45 LYS 46 GLY 47 GLU 48 GLY 49 ILE 50 PRO 51 THR 52 THR 53 ALA 54 LYS 55 LEU 56 LYS 57 VAL 58 ASP 59 GLU 60 PHE 61 GLU 62 SER 63 ASN 64 VAL 65 ASN 66 GLU 67 VAL 68 LYS 69 ASP 70 PRO 71 TYR 72 PRO 73 SER 74 ALA 75 ASP 76 PHE 77 PRO 78 GLY 79 ASP 80 ASP 81 GLU 82 GLU 83 ASP 84 GLU 85 PRO 86 GLU 87 ILE 88 PRO 89 VAL 90 SER 91 PRO 92 ARG 93 PRO 94 ARG 95 PRO 96 LEU 97 ALA 98 GLU 99 LEU 100 GLN 101 LEU 102 LYS 103 GLU 104 LYS 105 ALA 106 VAL 107 PRO 108 ILE 109 PRO 110 GLU 111 ALA 112 SER 113 SER 114 PHE 115 PHE 116 ILE 117 PHE 118 SER 119 PRO 120 THR 121 ASN 122 LYS 123 VAL 124 ARG 125 VAL 126 LEU 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 EMBL CAA29355 "unnamed protein product [Oryctolagus cuniculus]" 100.00 1873 100.00 100.00 5.24e-77 GB AAA31159 "dihydropyridine calcium channel receptor protein [Oryctolagus cuniculus]" 100.00 1873 99.21 99.21 3.39e-76 PRF 1310328A "Ca channel blocker receptor" 100.00 1873 100.00 100.00 5.24e-77 REF NP_001095190 "voltage-dependent L-type calcium channel subunit alpha-1S [Oryctolagus cuniculus]" 100.00 1873 100.00 100.00 5.24e-77 REF XP_004578840 "PREDICTED: voltage-dependent L-type calcium channel subunit alpha-1S [Ochotona princeps]" 100.00 1873 97.62 100.00 2.00e-76 SP P07293 "RecName: Full=Voltage-dependent L-type calcium channel subunit alpha-1S; AltName: Full=Calcium channel, L type, alpha-1 polypep" 100.00 1873 100.00 100.00 5.24e-77 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $DHPR_II-III_loop rabbit 9986 Eukaryota Metazoa Oryctolagus cuniculus muscle 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 $DHPR_II-III_loop '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 $DHPR_II-III_loop 1 mM 0.5 1.5 '[U-95% 13C; U-90% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version . _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label $sample_1 save_ save_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label $sample_1 save_ save_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CACB(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CACB(CO)NH _Sample_label $sample_1 save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_HCAN_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCAN _Sample_label $sample_1 save_ save_HCACB(CO)N_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCACB(CO)N _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CACB(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCAN _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCACB(CO)N _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Cond-1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH temperature 278 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details ; Several unassigned signals were observed that may correspond to a minor conformational species ; loop_ _Experiment_label '1H-15N NOESY' '1H-15N TOCSY' '1H-13C NOESY' HNCACB CACB(CO)NH HNCO HCCH-TOCSY HCAN HCACB(CO)N stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'II-III loop' _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 . 3 GLU H H 8.664 0.003 . 2 . 3 GLU N N 122.277 0.053 . 3 . 3 GLU CA C 56.733 0.063 . 4 . 3 GLU HA H 4.203 0.004 . 5 . 3 GLU C C 176.674 0.02 . 6 . 3 GLU CB C 30.271 0.046 . 7 . 3 GLU HB2 H 1.982 0.009 . 8 . 3 GLU HB3 H 1.909 0.02 . 9 . 3 GLU CG C 35.93 0.02 . 10 . 3 GLU HG2 H 2.331 0.086 . 11 . 3 GLU HG3 H 2.242 0.003 . 12 . 4 SER H H 8.538 0.003 . 13 . 4 SER N N 118.592 0.062 . 14 . 4 SER CA C 58.182 0.101 . 15 . 4 SER HA H 4.395 0.001 . 16 . 4 SER C C 174.542 0.02 . 17 . 4 SER CB C 63.822 0.246 . 18 . 4 SER HB2 H 3.811 0.001 . 19 . 4 SER HB3 H 3.809 0.001 . 20 . 5 LEU H H 8.345 0.003 . 21 . 5 LEU N N 125.347 0.056 . 22 . 5 LEU CA C 55.266 0.073 . 23 . 5 LEU HA H 4.5 0.006 . 24 . 5 LEU C C 178.346 0.02 . 25 . 5 LEU CB C 42.964 0.026 . 26 . 5 LEU HB2 H 1.611 0.002 . 27 . 5 LEU HB3 H 1.611 0.02 . 28 . 5 LEU CG C 27.09 0.02 . 29 . 5 LEU CD1 C 22.94 0.02 . 30 . 5 LEU HD1 H 0.83 0.02 . 31 . 5 LEU CD2 C 22.94 0.02 . 32 . 5 LEU HD2 H 0.83 0.02 . 33 . 5 LEU HG H 1.523 0.001 . 34 . 6 THR H H 8.515 0.006 . 35 . 6 THR N N 114.708 0.076 . 36 . 6 THR CA C 61.64 0.161 . 37 . 6 THR HA H 4.319 0.002 . 38 . 6 THR C C 175.799 0.02 . 39 . 6 THR CB C 70.418 0.02 . 40 . 6 THR HB H 4.151 0.02 . 41 . 6 THR HG2 H 1.248 0.01 . 42 . 7 SER H H 8.838 0.004 . 43 . 7 SER N N 118.569 0.062 . 44 . 7 SER CA C 61.212 0.103 . 45 . 7 SER HA H 4.274 0.166 . 46 . 7 SER C C 176.893 0.02 . 47 . 7 SER CB C 62.782 0.02 . 48 . 7 SER HB2 H 3.911 0.02 . 49 . 7 SER HB3 H 3.911 0.02 . 50 . 8 ALA H H 8.443 0.002 . 51 . 8 ALA N N 126.049 0.064 . 52 . 8 ALA CA C 54.61 0.108 . 53 . 8 ALA HA H 4.198 0.002 . 54 . 8 ALA C C 180.363 0.02 . 55 . 8 ALA CB C 18.631 0.195 . 56 . 8 ALA HB H 1.39 0.001 . 57 . 9 GLN H H 8.014 0.004 . 58 . 9 GLN N N 119.874 0.069 . 59 . 9 GLN CA C 58.238 0.095 . 60 . 9 GLN HA H 4.013 0.004 . 61 . 9 GLN C C 179.297 0.02 . 62 . 9 GLN CB C 29 0.016 . 63 . 9 GLN HB2 H 1.993 0.001 . 64 . 9 GLN HB3 H 1.99 0.02 . 65 . 9 GLN CG C 34.14 0.02 . 66 . 9 GLN HG2 H 2.41 0.005 . 67 . 9 GLN HG3 H 2.241 0.008 . 68 . 10 LYS H H 8.505 0.003 . 69 . 10 LYS N N 123.246 0.116 . 70 . 10 LYS CA C 58.901 0.234 . 71 . 10 LYS HA H 4.011 0.005 . 72 . 10 LYS C C 178.388 0.02 . 73 . 10 LYS CB C 32.47 0.023 . 74 . 10 LYS HB2 H 1.805 0.001 . 75 . 10 LYS HB3 H 1.805 0.02 . 76 . 10 LYS CG C 25.39 0.02 . 77 . 10 LYS HG2 H 1.48 0.02 . 78 . 10 LYS HG3 H 1.48 0.02 . 79 . 10 LYS CD C 29.25 0.02 . 80 . 10 LYS HD2 H 1.61 0.02 . 81 . 10 LYS HD3 H 1.61 0.02 . 82 . 10 LYS CE C 41.81 0.02 . 83 . 10 LYS HE2 H 2.881 0.02 . 84 . 10 LYS HE3 H 2.881 0.02 . 85 . 11 ALA H H 8.075 0.004 . 86 . 11 ALA N N 123.284 0.152 . 87 . 11 ALA CA C 54.55 0.112 . 88 . 11 ALA HA H 4.166 0.003 . 89 . 11 ALA C C 180.467 0.02 . 90 . 11 ALA CB C 17.922 0.197 . 91 . 11 ALA HB H 1.438 0.002 . 92 . 12 LYS H H 7.919 0.004 . 93 . 12 LYS N N 120.458 0.098 . 94 . 12 LYS CA C 58.183 0.057 . 95 . 12 LYS HA H 4.103 0.003 . 96 . 12 LYS C C 178.625 0.02 . 97 . 12 LYS CB C 32.257 0.079 . 98 . 12 LYS HB2 H 1.844 0.02 . 99 . 12 LYS HB3 H 1.844 0.02 . 100 . 12 LYS CG C 24.82 0.02 . 101 . 12 LYS HG2 H 1.45 0.02 . 102 . 12 LYS HG3 H 1.45 0.02 . 103 . 12 LYS CD C 29.1 0.02 . 104 . 12 LYS HD2 H 1.64 0.02 . 105 . 12 LYS HD3 H 1.64 0.02 . 106 . 12 LYS CE C 41.8 0.02 . 107 . 12 LYS HE2 H 2.89 0.02 . 108 . 12 LYS HE3 H 2.89 0.02 . 109 . 13 ALA H H 8.017 0.005 . 110 . 13 ALA N N 123.86 0.123 . 111 . 13 ALA CA C 54.696 0.03 . 112 . 13 ALA HA H 4.098 0.004 . 113 . 13 ALA C C 180.463 0.02 . 114 . 13 ALA CB C 17.917 0.225 . 115 . 13 ALA HB H 1.45 0.003 . 116 . 14 GLU H H 8.234 0.004 . 117 . 14 GLU N N 120.364 0.098 . 118 . 14 GLU CA C 58.41 0.067 . 119 . 14 GLU HA H 4.051 0.009 . 120 . 14 GLU C C 178.582 0.02 . 121 . 14 GLU CB C 29.534 0.141 . 122 . 14 GLU HB2 H 2.05 0.02 . 123 . 14 GLU HB3 H 1.857 0.02 . 124 . 14 GLU CG C 35.53 0.02 . 125 . 14 GLU HG2 H 2.303 0.005 . 126 . 14 GLU HG3 H 2.303 0.005 . 127 . 15 GLU H H 8.044 0.006 . 128 . 15 GLU N N 122.233 0.059 . 129 . 15 GLU CA C 58.525 0.173 . 130 . 15 GLU HA H 4.026 0.019 . 131 . 15 GLU C C 178.348 0.02 . 132 . 15 GLU CB C 29.441 0.011 . 133 . 15 GLU HB2 H 2.071 0.001 . 134 . 15 GLU HB3 H 2.07 0.02 . 135 . 15 GLU HG2 H 2.235 0.02 . 136 . 15 GLU HG3 H 2.235 0.02 . 137 . 16 ARG H H 7.865 0.844 . 138 . 16 ARG N N 120.611 0.136 . 139 . 16 ARG CA C 58.606 0.086 . 140 . 16 ARG HA H 4.046 0.006 . 141 . 16 ARG C C 178.448 0.02 . 142 . 16 ARG CB C 30.286 0.043 . 143 . 16 ARG HB2 H 1.849 0.001 . 144 . 16 ARG HB3 H 1.743 0.02 . 145 . 16 ARG CG C 26.89 0.02 . 146 . 16 ARG HG2 H 1.579 0.009 . 147 . 16 ARG HG3 H 1.569 0.02 . 148 . 16 ARG CD C 43.17 0.02 . 149 . 16 ARG HD2 H 3.165 0.02 . 150 . 16 ARG HD3 H 3.165 0.02 . 151 . 17 LYS H H 7.843 0.006 . 152 . 17 LYS N N 121.056 0.046 . 153 . 17 LYS CA C 58.567 0.055 . 154 . 17 LYS HA H 4.044 0.006 . 155 . 17 LYS C C 178.328 0.02 . 156 . 17 LYS CB C 32.578 0.04 . 157 . 17 LYS HB2 H 1.85 0.02 . 158 . 17 LYS HB3 H 1.85 0.02 . 159 . 17 LYS CG C 24.69 0.02 . 160 . 17 LYS HG2 H 1.359 0.008 . 161 . 17 LYS HG3 H 1.359 0.008 . 162 . 17 LYS CD C 29.25 0.02 . 163 . 17 LYS HD2 H 1.588 0.02 . 164 . 17 LYS HD3 H 1.588 0.02 . 165 . 17 LYS CE C 41.83 0.02 . 166 . 17 LYS HE2 H 2.95 0.02 . 167 . 18 ARG H H 8.047 0.004 . 168 . 18 ARG N N 120.716 0.059 . 169 . 18 ARG CA C 58.187 0.171 . 170 . 18 ARG HA H 4.079 0.018 . 171 . 18 ARG C C 178.348 0.02 . 172 . 18 ARG CB C 30.403 0.095 . 173 . 18 ARG HB2 H 1.85 0.02 . 174 . 18 ARG HB3 H 1.732 0.02 . 175 . 18 ARG CG C 26.88 0.02 . 176 . 18 ARG HG2 H 1.575 0.02 . 177 . 18 ARG HG3 H 1.575 0.02 . 178 . 18 ARG CD C 43.12 0.02 . 179 . 18 ARG HD2 H 3.159 0.02 . 180 . 18 ARG HD3 H 3.156 0.02 . 181 . 19 ARG H H 8.108 0.003 . 182 . 19 ARG N N 121.224 0.088 . 183 . 19 ARG CA C 57.636 0.024 . 184 . 19 ARG HA H 4.112 0.001 . 185 . 19 ARG C C 177.625 0.02 . 186 . 19 ARG CB C 30.165 0.326 . 187 . 19 ARG HB2 H 1.837 0.02 . 188 . 19 ARG HB3 H 1.719 0.02 . 189 . 19 ARG CG C 27.22 0.02 . 190 . 19 ARG HG2 H 1.593 0.02 . 191 . 19 ARG HG3 H 1.593 0.02 . 192 . 19 ARG CD C 43.2 0.02 . 193 . 19 ARG HD2 H 3.14 0.02 . 194 . 19 ARG HD3 H 3.14 0.02 . 195 . 20 LYS H H 8.054 0.007 . 196 . 20 LYS N N 121.908 0.133 . 197 . 20 LYS CA C 56.794 1.02 . 198 . 20 LYS HA H 4.133 0.004 . 199 . 20 LYS C C 177.667 0.02 . 200 . 20 LYS CB C 32.711 0.138 . 201 . 20 LYS HB2 H 1.827 0.02 . 202 . 20 LYS HB3 H 1.827 0.02 . 203 . 20 LYS CG C 24.66 0.02 . 204 . 20 LYS HG2 H 1.393 0.02 . 205 . 20 LYS HG3 H 1.393 0.02 . 206 . 20 LYS CD C 29.22 0.02 . 207 . 20 LYS HD2 H 1.632 0.008 . 208 . 20 LYS HD3 H 1.595 0.02 . 209 . 20 LYS CE C 41.9 0.02 . 210 . 20 LYS HE2 H 2.94 0.02 . 211 . 20 LYS HE3 H 2.94 0.02 . 212 . 21 MET H H 8.171 0.006 . 213 . 21 MET N N 120.536 0.086 . 214 . 21 MET CA C 56.199 0.164 . 215 . 21 MET HA H 4.39 0.002 . 216 . 21 MET C C 176.952 0.02 . 217 . 21 MET CB C 32.597 0.069 . 218 . 21 MET HB2 H 2.092 0.005 . 219 . 21 MET HB3 H 2.023 0.003 . 220 . 21 MET HG2 H 2.635 0.02 . 221 . 21 MET HG3 H 2.54 0.004 . 222 . 21 MET HE H 1.84 0.02 . 223 . 22 SER H H 8.182 0.004 . 224 . 22 SER N N 117.23 0.082 . 225 . 22 SER CA C 58.774 0.02 . 226 . 22 SER HA H 4.388 0.004 . 227 . 22 SER C C 174.734 0.02 . 228 . 22 SER CB C 63.706 0.188 . 229 . 22 SER HB2 H 3.865 0.001 . 230 . 22 SER HB3 H 3.864 0.02 . 231 . 23 ARG H H 8.272 0.005 . 232 . 23 ARG N N 123.435 0.091 . 233 . 23 ARG CA C 56.335 0.074 . 234 . 23 ARG HA H 4.289 0.003 . 235 . 23 ARG C C 176.783 0.02 . 236 . 23 ARG CB C 30.637 0.122 . 237 . 23 ARG HB2 H 1.873 0.006 . 238 . 23 ARG HB3 H 1.758 0.008 . 239 . 23 ARG CG C 26.85 0.02 . 240 . 23 ARG HG2 H 1.627 0.011 . 241 . 23 ARG HG3 H 1.609 0.026 . 242 . 23 ARG CD C 43.2 0.02 . 243 . 23 ARG HD2 H 3.163 0.02 . 244 . 23 ARG HD3 H 3.163 0.02 . 245 . 24 GLY H H 8.353 0.004 . 246 . 24 GLY N N 110.203 0.078 . 247 . 24 GLY CA C 45.037 0.049 . 248 . 24 GLY HA2 H 3.885 0.02 . 249 . 24 GLY HA3 H 3.885 0.02 . 250 . 24 GLY C C 173.774 0.02 . 251 . 25 LEU H H 8.154 0.002 . 252 . 25 LEU N N 123.799 0.106 . 253 . 25 LEU CA C 53.077 0.02 . 254 . 25 LEU HA H 4.57 0.02 . 255 . 25 LEU CB C 41.725 0.02 . 256 . 25 LEU HB2 H 1.586 0.02 . 257 . 25 LEU HB3 H 1.586 0.02 . 258 . 25 LEU CG C 26.83 0.02 . 259 . 25 LEU CD1 C 24.79 0.02 . 260 . 25 LEU HD1 H 0.87 0.02 . 261 . 25 LEU CD2 C 23.17 0.02 . 262 . 26 PRO CA C 62.847 0.187 . 263 . 26 PRO HA H 4.372 0.002 . 264 . 26 PRO C C 176.656 0.02 . 265 . 26 PRO CB C 32.24 0.176 . 266 . 26 PRO HB2 H 2.227 0.02 . 267 . 26 PRO HB3 H 2.221 0.02 . 268 . 26 PRO CG C 27.3 0.02 . 269 . 26 PRO HG2 H 1.954 0.02 . 270 . 26 PRO HG3 H 1.833 0.02 . 271 . 26 PRO CD C 50.87 0.02 . 272 . 26 PRO HD2 H 3.877 0.02 . 273 . 26 PRO HD3 H 3.877 0.02 . 274 . 27 ASP H H 8.469 0.003 . 275 . 27 ASP N N 121.92 0.06 . 276 . 27 ASP CA C 54.234 0.101 . 277 . 27 ASP HA H 4.501 0.001 . 278 . 27 ASP C C 176.617 0.02 . 279 . 27 ASP CB C 41.187 0.039 . 280 . 27 ASP HB2 H 2.648 0.007 . 281 . 27 ASP HB3 H 2.548 0.001 . 282 . 28 LYS H H 8.398 0.004 . 283 . 28 LYS N N 123.245 0.038 . 284 . 28 LYS CA C 56.269 0.126 . 285 . 28 LYS HA H 4.366 0.02 . 286 . 28 LYS C C 177.089 0.02 . 287 . 28 LYS CB C 33.198 0.065 . 288 . 28 LYS HB2 H 1.809 0.001 . 289 . 28 LYS HB3 H 1.698 0.001 . 290 . 28 LYS CG C 24.65 0.02 . 291 . 28 LYS HG2 H 1.394 0.02 . 292 . 28 LYS HG3 H 1.394 0.02 . 293 . 28 LYS CD C 29.04 0.02 . 294 . 28 LYS HD2 H 1.611 0.02 . 295 . 28 LYS HD3 H 1.611 0.02 . 296 . 28 LYS CE C 41.9 0.02 . 297 . 28 LYS HE2 H 2.88 0.02 . 298 . 28 LYS HE3 H 2.88 0.02 . 299 . 29 THR H H 8.491 0.004 . 300 . 29 THR N N 116.412 0.082 . 301 . 29 THR CA C 62.617 0.228 . 302 . 29 THR HA H 4.217 0.002 . 303 . 29 THR C C 175.246 0.02 . 304 . 29 THR CB C 69.863 0.096 . 305 . 29 THR HB H 4.306 0.001 . 306 . 30 GLU H H 8.577 0.003 . 307 . 30 GLU N N 123.243 0.066 . 308 . 30 GLU CA C 57.693 0.059 . 309 . 30 GLU HA H 4.115 0.003 . 310 . 30 GLU C C 177.681 0.02 . 311 . 30 GLU CB C 29.885 0.154 . 312 . 30 GLU HB2 H 2.006 0.02 . 313 . 30 GLU HB3 H 1.922 0.02 . 314 . 30 GLU CG C 36.07 0.02 . 315 . 30 GLU HG2 H 2.242 0.02 . 316 . 30 GLU HG3 H 2.242 0.02 . 317 . 31 GLU H H 8.489 0.003 . 318 . 31 GLU N N 122.494 0.144 . 319 . 31 GLU CA C 56.667 0.696 . 320 . 31 GLU HA H 4.149 0.043 . 321 . 31 GLU C C 176.539 0.02 . 322 . 31 GLU CB C 30.233 0.33 . 323 . 31 GLU HB2 H 1.944 0.02 . 324 . 31 GLU CG C 36.21 0.02 . 325 . 31 GLU HG2 H 2.219 0.02 . 326 . 31 GLU HG3 H 2.219 0.02 . 327 . 32 GLU H H 8.457 0.003 . 328 . 32 GLU N N 122.896 0.088 . 329 . 32 GLU CA C 56.302 0.097 . 330 . 32 GLU HA H 4.197 0.014 . 331 . 32 GLU C C 176.381 0.02 . 332 . 32 GLU CB C 30.391 0.1 . 333 . 32 GLU HB2 H 1.971 0.007 . 334 . 32 GLU HB3 H 1.865 0.021 . 335 . 32 GLU CG C 36.14 0.02 . 336 . 32 GLU HG2 H 2.199 0.02 . 337 . 32 GLU HG3 H 2.199 0.02 . 338 . 33 LYS H H 8.343 0.005 . 339 . 33 LYS N N 123.687 0.11 . 340 . 33 LYS CA C 57.175 0.588 . 341 . 33 LYS HA H 4.163 0.024 . 342 . 33 LYS C C 177.8 0.02 . 343 . 33 LYS CB C 32.883 0.077 . 344 . 33 LYS HB2 H 1.738 0.044 . 345 . 33 LYS HB3 H 1.738 0.02 . 346 . 33 LYS CG C 24.65 0.02 . 347 . 33 LYS HG2 H 1.393 0.02 . 348 . 33 LYS HG3 H 1.376 0.017 . 349 . 33 LYS CD C 29.03 0.02 . 350 . 33 LYS CE C 41.89 0.02 . 351 . 33 LYS HE2 H 2.875 0.02 . 352 . 33 LYS HE3 H 2.87 0.02 . 353 . 34 SER H H 8.253 0.004 . 354 . 34 SER N N 117.6 0.072 . 355 . 34 SER CA C 59.063 0.227 . 356 . 34 SER HA H 4.329 0.001 . 357 . 34 SER C C 175.46 0.02 . 358 . 34 SER CB C 63.163 0.26 . 359 . 34 SER HB2 H 3.885 0.02 . 360 . 34 SER HB3 H 3.886 0.02 . 361 . 35 VAL H H 8.052 0.003 . 362 . 35 VAL N N 122.919 0.076 . 363 . 35 VAL CA C 63.787 0.116 . 364 . 35 VAL HA H 3.898 0.002 . 365 . 35 VAL C C 177.393 0.02 . 366 . 35 VAL CB C 32.6 0.421 . 367 . 35 VAL HB H 2.075 0.02 . 368 . 35 VAL CG1 C 21.07 0.02 . 369 . 35 VAL HG1 H 0.939 0.02 . 370 . 35 VAL CG2 C 21.07 0.02 . 371 . 35 VAL HG2 H 0.917 0.021 . 372 . 36 MET H H 8.188 0.003 . 373 . 36 MET N N 122.88 0.08 . 374 . 36 MET CA C 56.166 0.229 . 375 . 36 MET HA H 4.287 0.004 . 376 . 36 MET C C 176.867 0.02 . 377 . 36 MET CB C 32.564 0.116 . 378 . 36 MET HB2 H 2.024 0.006 . 379 . 36 MET HB3 H 2.018 0.02 . 380 . 36 MET HG2 H 2.595 0.02 . 381 . 36 MET HG3 H 2.525 0.02 . 382 . 37 ALA H H 8.167 0.004 . 383 . 37 ALA N N 125.073 0.089 . 384 . 37 ALA CA C 53.148 0.036 . 385 . 37 ALA HA H 4.158 0.003 . 386 . 37 ALA C C 178.635 0.02 . 387 . 37 ALA CB C 18.629 0.148 . 388 . 37 ALA HB H 1.369 0.001 . 389 . 38 LYS H H 8.107 0.004 . 390 . 38 LYS N N 121.048 0.081 . 391 . 38 LYS CA C 56.937 0.018 . 392 . 38 LYS HA H 4.152 0.002 . 393 . 38 LYS C C 177.37 0.02 . 394 . 38 LYS CB C 32.719 0.026 . 395 . 38 LYS HB2 H 1.755 0.02 . 396 . 38 LYS HB3 H 1.755 0.02 . 397 . 38 LYS CG C 24.63 0.02 . 398 . 38 LYS HG2 H 1.462 0.02 . 399 . 38 LYS HG3 H 1.453 0.02 . 400 . 38 LYS CD C 29.57 0.02 . 401 . 38 LYS HD2 H 1.61 0.02 . 402 . 38 LYS HD3 H 1.606 0.02 . 403 . 38 LYS CE C 41.9 0.02 . 404 . 38 LYS HE2 H 2.881 0.02 . 405 . 38 LYS HE3 H 2.881 0.02 . 406 . 39 LYS H H 8.156 0.003 . 407 . 39 LYS N N 122.883 0.065 . 408 . 39 LYS CA C 56.504 0.677 . 409 . 39 LYS HA H 4.162 0.009 . 410 . 39 LYS C C 177.14 0.02 . 411 . 39 LYS CB C 32.811 0.053 . 412 . 39 LYS HB2 H 1.769 0.001 . 413 . 39 LYS HB3 H 1.768 0.02 . 414 . 39 LYS CG C 24.7 0.02 . 415 . 39 LYS HG2 H 1.454 0.02 . 416 . 39 LYS HG3 H 1.454 0.02 . 417 . 39 LYS CD C 29 0.02 . 418 . 39 LYS HD2 H 1.623 0.02 . 419 . 39 LYS HD3 H 1.623 0.02 . 420 . 39 LYS CE C 41.92 0.02 . 421 . 39 LYS HE2 H 2.875 0.02 . 422 . 39 LYS HE3 H 2.875 0.02 . 423 . 40 LEU H H 8.154 0.006 . 424 . 40 LEU N N 123.514 0.116 . 425 . 40 LEU CA C 55.821 0.738 . 426 . 40 LEU HA H 4.246 0.004 . 427 . 40 LEU C C 177.612 0.02 . 428 . 40 LEU CB C 42.139 0.067 . 429 . 40 LEU HB2 H 1.623 0.001 . 430 . 40 LEU HB3 H 1.623 0.02 . 431 . 40 LEU CG C 26.86 0.02 . 432 . 40 LEU CD1 C 24.56 0.02 . 433 . 40 LEU HD1 H 0.871 0.02 . 434 . 40 LEU CD2 C 23.21 0.02 . 435 . 40 LEU HD2 H 0.819 0.02 . 436 . 40 LEU HG H 1.524 0.02 . 437 . 41 GLU H H 8.222 0.008 . 438 . 41 GLU N N 122.524 0.073 . 439 . 41 GLU CA C 56.52 0.084 . 440 . 41 GLU HA H 4.184 0.005 . 441 . 41 GLU C C 176.471 0.02 . 442 . 41 GLU CB C 30.306 0.155 . 443 . 41 GLU HB2 H 1.912 0.02 . 444 . 41 GLU HB3 H 1.912 0.02 . 445 . 41 GLU HG2 H 2.254 0.02 . 446 . 41 GLU HG3 H 2.18 0.02 . 447 . 42 GLN H H 8.322 0.008 . 448 . 42 GLN N N 122.405 0.105 . 449 . 42 GLN CA C 55.485 0.147 . 450 . 42 GLN HA H 4.254 0.008 . 451 . 42 GLN C C 175.733 0.02 . 452 . 42 GLN CB C 29.65 0.167 . 453 . 42 GLN HB2 H 2.026 0.003 . 454 . 42 GLN HB3 H 1.909 0.004 . 455 . 42 GLN CG C 35.52 0.02 . 456 . 42 GLN HG2 H 2.305 0.002 . 457 . 42 GLN HG3 H 2.305 0.002 . 458 . 43 LYS H H 8.412 0.004 . 459 . 43 LYS N N 125.404 0.052 . 460 . 43 LYS CA C 54.352 0.02 . 461 . 43 LYS HA H 4.529 0.002 . 462 . 43 LYS CB C 32.289 0.02 . 463 . 43 LYS HB2 H 1.755 0.02 . 464 . 43 LYS HB3 H 1.759 0.02 . 465 . 43 LYS CG C 24.68 0.02 . 466 . 43 LYS HG2 H 1.429 0.02 . 467 . 43 LYS HG3 H 1.429 0.02 . 468 . 43 LYS CD C 28.85 0.02 . 469 . 43 LYS HD2 H 1.671 0.02 . 470 . 43 LYS HD3 H 1.671 0.02 . 471 . 43 LYS CE C 41.88 0.02 . 472 . 43 LYS HE2 H 2.882 0.02 . 473 . 43 LYS HE3 H 2.882 0.02 . 474 . 44 PRO CA C 62.907 0.11 . 475 . 44 PRO HA H 4.362 0.002 . 476 . 44 PRO C C 176.981 0.02 . 477 . 44 PRO CB C 32.244 0.02 . 478 . 44 PRO CG C 27.26 0.02 . 479 . 44 PRO CD C 50.81 0.02 . 480 . 44 PRO HD2 H 3.841 0.02 . 481 . 44 PRO HD3 H 3.841 0.02 . 482 . 45 LYS H H 8.59 0.004 . 483 . 45 LYS N N 123.271 0.058 . 484 . 45 LYS CA C 56.512 0.048 . 485 . 45 LYS HA H 4.218 0.005 . 486 . 45 LYS C C 177.375 0.02 . 487 . 45 LYS CB C 32.887 0.133 . 488 . 45 LYS HB2 H 1.735 0.02 . 489 . 45 LYS HB3 H 1.735 0.02 . 490 . 45 LYS CG C 24.71 0.02 . 491 . 45 LYS HG2 H 1.594 0.179 . 492 . 45 LYS HG3 H 1.415 0.02 . 493 . 45 LYS CD C 28.85 0.02 . 494 . 45 LYS HD2 H 1.621 0.02 . 495 . 45 LYS HD3 H 1.621 0.02 . 496 . 45 LYS CE C 41.89 0.02 . 497 . 45 LYS HE2 H 2.86 0.02 . 498 . 45 LYS HE3 H 2.86 0.02 . 499 . 46 GLY H H 8.497 0.003 . 500 . 46 GLY N N 111.228 0.077 . 501 . 46 GLY CA C 45.083 0.045 . 502 . 46 GLY HA2 H 3.904 0.002 . 503 . 46 GLY HA3 H 3.904 0.002 . 504 . 46 GLY C C 174.054 0.02 . 505 . 47 GLU H H 8.375 0.003 . 506 . 47 GLU N N 121.568 0.122 . 507 . 47 GLU CA C 56.452 0.057 . 508 . 47 GLU HA H 4.247 0.02 . 509 . 47 GLU C C 177.085 0.02 . 510 . 47 GLU CB C 30.411 0.076 . 511 . 47 GLU HB2 H 1.861 0.02 . 512 . 47 GLU HB3 H 1.861 0.02 . 513 . 47 GLU CG C 36.18 0.02 . 514 . 47 GLU HG2 H 2.196 0.02 . 515 . 47 GLU HG3 H 2.019 0.02 . 516 . 48 GLY H H 8.546 0.003 . 517 . 48 GLY N N 111.211 0.08 . 518 . 48 GLY CA C 45.013 0.1 . 519 . 48 GLY HA2 H 3.861 0.003 . 520 . 48 GLY HA3 H 3.861 0.003 . 521 . 48 GLY C C 173.766 0.02 . 522 . 49 ILE H H 8.084 0.002 . 523 . 49 ILE N N 123.093 0.071 . 524 . 49 ILE CA C 58.613 0.02 . 525 . 49 ILE HA H 4.404 0.02 . 526 . 49 ILE CB C 38.427 0.02 . 527 . 49 ILE HB H 1.8 0.02 . 528 . 49 ILE CG2 C 16.89 0.02 . 529 . 49 ILE HG2 H 0.9 0.02 . 530 . 49 ILE CG1 C 26.59 0.02 . 531 . 49 ILE HG12 H 1.429 0.02 . 532 . 49 ILE HG13 H 1.084 0.02 . 533 . 49 ILE CD1 C 12.51 0.02 . 534 . 49 ILE HD1 H 0.805 0.02 . 535 . 50 PRO CA C 63.126 0.077 . 536 . 50 PRO HA H 4.451 0.001 . 537 . 50 PRO C C 177.211 0.02 . 538 . 50 PRO CB C 32.279 0.069 . 539 . 50 PRO HB2 H 2.265 0.02 . 540 . 50 PRO HB3 H 2.265 0.02 . 541 . 50 PRO CG C 27.23 0.02 . 542 . 50 PRO HG2 H 1.857 0.02 . 543 . 50 PRO HG3 H 1.858 0.02 . 544 . 50 PRO CD C 50.85 0.02 . 545 . 50 PRO HD2 H 3.828 0.02 . 546 . 50 PRO HD3 H 3.828 0.02 . 547 . 51 THR H H 8.439 0.002 . 548 . 51 THR N N 116.363 0.084 . 549 . 51 THR CA C 61.96 0.1 . 550 . 51 THR HA H 4.304 0.002 . 551 . 51 THR C C 174.865 0.02 . 552 . 51 THR CB C 69.671 0.082 . 553 . 51 THR HB H 4.19 0.02 . 554 . 51 THR HG2 H 1.191 0.02 . 555 . 52 THR H H 8.14 0.001 . 556 . 52 THR N N 117.341 0.046 . 557 . 52 THR CA C 61.662 0.051 . 558 . 52 THR HA H 4.248 0.005 . 559 . 52 THR C C 174.253 0.02 . 560 . 52 THR CB C 69.75 0.009 . 561 . 52 THR HB H 4.159 0.009 . 562 . 52 THR HG2 H 1.16 0.002 . 563 . 53 ALA H H 8.35 0.002 . 564 . 53 ALA N N 127.985 0.123 . 565 . 53 ALA CA C 52.499 0.053 . 566 . 53 ALA HA H 4.235 0.008 . 567 . 53 ALA C C 177.725 0.02 . 568 . 53 ALA CB C 19.066 0.175 . 569 . 53 ALA HB H 1.315 0.003 . 570 . 54 LYS H H 8.326 0.004 . 571 . 54 LYS N N 122.378 0.046 . 572 . 54 LYS CA C 56.044 0.027 . 573 . 54 LYS HA H 4.208 0.007 . 574 . 54 LYS C C 176.507 0.02 . 575 . 54 LYS CB C 32.952 0.02 . 576 . 54 LYS HB2 H 1.757 0.02 . 577 . 54 LYS HB3 H 1.757 0.02 . 578 . 54 LYS CG C 24.82 0.02 . 579 . 54 LYS HG2 H 1.483 0.02 . 580 . 54 LYS HG3 H 1.483 0.02 . 581 . 54 LYS CD C 29.69 0.02 . 582 . 54 LYS HD2 H 1.671 0.02 . 583 . 54 LYS HD3 H 1.67 0.02 . 584 . 54 LYS CE C 41.89 0.02 . 585 . 54 LYS HE2 H 2.88 0.02 . 586 . 54 LYS HE3 H 2.88 0.02 . 587 . 55 LEU H H 8.301 0.002 . 588 . 55 LEU N N 125.105 0.041 . 589 . 55 LEU CA C 55.292 0.106 . 590 . 55 LEU HA H 4.252 0.005 . 591 . 55 LEU C C 177.214 0.02 . 592 . 55 LEU CB C 42.329 0.036 . 593 . 55 LEU HB2 H 1.74 0.02 . 594 . 55 LEU HB3 H 1.74 0.02 . 595 . 55 LEU CG C 26.8 0.02 . 596 . 55 LEU CD1 C 24.52 0.02 . 597 . 55 LEU HD1 H 0.816 0.02 . 598 . 55 LEU CD2 C 23.42 0.02 . 599 . 55 LEU HD2 H 0.816 0.02 . 600 . 55 LEU HG H 1.57 0.007 . 601 . 56 LYS H H 8.399 0.003 . 602 . 56 LYS N N 124.356 0.04 . 603 . 56 LYS CA C 56.081 0.053 . 604 . 56 LYS HA H 4.27 0.008 . 605 . 56 LYS C C 174.906 0.02 . 606 . 56 LYS CB C 33.01 0.034 . 607 . 56 LYS HB2 H 1.682 0.02 . 608 . 56 LYS HB3 H 1.682 0.02 . 609 . 56 LYS CG C 24.82 0.02 . 610 . 56 LYS HG2 H 1.483 0.02 . 611 . 56 LYS HG3 H 1.336 0.02 . 612 . 56 LYS CD C 29.1 0.02 . 613 . 56 LYS CE C 41.86 0.02 . 614 . 56 LYS HE2 H 2.879 0.02 . 615 . 56 LYS HE3 H 2.879 0.02 . 616 . 57 VAL H H 8.268 0.005 . 617 . 57 VAL N N 123.139 0.04 . 618 . 57 VAL CA C 62.198 0.037 . 619 . 57 VAL HA H 4.015 0.004 . 620 . 57 VAL C C 175.844 0.02 . 621 . 57 VAL CB C 32.85 0.018 . 622 . 57 VAL HB H 1.992 0.02 . 623 . 57 VAL CG1 C 20.63 0.02 . 624 . 57 VAL HG1 H 0.853 0.02 . 625 . 57 VAL CG2 C 20.63 0.02 . 626 . 57 VAL HG2 H 0.853 0.02 . 627 . 58 ASP H H 8.434 0.002 . 628 . 58 ASP N N 124.752 0.086 . 629 . 58 ASP CA C 54.263 0.025 . 630 . 58 ASP HA H 4.498 0.02 . 631 . 58 ASP C C 176.214 0.02 . 632 . 58 ASP CB C 41.113 0.042 . 633 . 58 ASP HB2 H 2.55 0.027 . 634 . 58 ASP HB3 H 2.521 0.002 . 635 . 59 GLU H H 8.346 0.005 . 636 . 59 GLU N N 122.498 0.062 . 637 . 59 GLU CA C 56.695 0.162 . 638 . 59 GLU HA H 4.101 0.006 . 639 . 59 GLU C C 176.216 0.02 . 640 . 59 GLU CB C 30.217 0.044 . 641 . 59 GLU HB2 H 1.802 0.03 . 642 . 59 GLU HB3 H 1.773 0.001 . 643 . 59 GLU CG C 35.73 0.02 . 644 . 59 GLU HG2 H 2.023 0.001 . 645 . 59 GLU HG3 H 1.95 0.003 . 646 . 60 PHE H H 8.266 0.002 . 647 . 60 PHE N N 121.293 0.12 . 648 . 60 PHE CA C 57.925 0.363 . 649 . 60 PHE HA H 4.556 0.002 . 650 . 60 PHE C C 175.854 0.02 . 651 . 60 PHE CB C 39.192 0.188 . 652 . 60 PHE HB2 H 3.12 0.003 . 653 . 60 PHE HB3 H 2.965 0.002 . 654 . 60 PHE HD1 H 7.185 0.02 . 655 . 60 PHE HD2 H 7.185 0.02 . 656 . 60 PHE HE1 H 7.057 0.02 . 657 . 60 PHE HE2 H 7.057 0.02 . 658 . 61 GLU H H 8.283 0.005 . 659 . 61 GLU N N 123.37 0.07 . 660 . 61 GLU CA C 56.409 0.032 . 661 . 61 GLU HA H 4.187 0.001 . 662 . 61 GLU C C 176.243 0.02 . 663 . 61 GLU CB C 30.335 0.044 . 664 . 61 GLU HB2 H 1.906 0.05 . 665 . 61 GLU HB3 H 1.909 0.043 . 666 . 61 GLU CG C 36.15 0.02 . 667 . 61 GLU HG2 H 2.162 0.001 . 668 . 61 GLU HG3 H 2.15 0.02 . 669 . 62 SER H H 8.373 0.002 . 670 . 62 SER N N 118.039 0.079 . 671 . 62 SER CA C 58.37 0.07 . 672 . 62 SER HA H 4.335 0.008 . 673 . 62 SER C C 174.35 0.02 . 674 . 62 SER CB C 63.74 0.359 . 675 . 62 SER HB2 H 3.793 0.003 . 676 . 62 SER HB3 H 3.79 0.02 . 677 . 63 ASN H H 8.562 0.003 . 678 . 63 ASN N N 122.254 0.062 . 679 . 63 ASN CA C 53.133 0.032 . 680 . 63 ASN HA H 4.695 0.001 . 681 . 63 ASN C C 175.5 0.02 . 682 . 63 ASN CB C 38.82 0.003 . 683 . 63 ASN HB2 H 2.752 0.003 . 684 . 63 ASN HB3 H 2.718 0.003 . 685 . 64 VAL H H 8.126 0.003 . 686 . 64 VAL N N 121.083 0.059 . 687 . 64 VAL CA C 62.604 0.079 . 688 . 64 VAL HA H 4.01 0.002 . 689 . 64 VAL C C 176.031 0.02 . 690 . 64 VAL CB C 32.521 0.113 . 691 . 64 VAL HB H 2.042 0.009 . 692 . 64 VAL CG1 C 20.81 0.02 . 693 . 64 VAL HG1 H 0.851 0.02 . 694 . 64 VAL CG2 C 20.81 0.02 . 695 . 64 VAL HG2 H 0.851 0.02 . 696 . 65 ASN H H 8.504 0.003 . 697 . 65 ASN N N 122.468 0.149 . 698 . 65 ASN CA C 53.159 0.035 . 699 . 65 ASN HA H 4.649 0.001 . 700 . 65 ASN C C 174.952 0.02 . 701 . 65 ASN CB C 38.931 0.048 . 702 . 65 ASN HB2 H 2.753 0.02 . 703 . 65 ASN HB3 H 2.647 0.02 . 704 . 66 GLU H H 8.242 0.005 . 705 . 66 GLU N N 122.734 0.045 . 706 . 66 GLU CA C 56.345 0.09 . 707 . 66 GLU HA H 4.202 0.008 . 708 . 66 GLU C C 176.142 0.02 . 709 . 66 GLU CB C 30.372 0.063 . 710 . 66 GLU HB2 H 1.945 0.02 . 711 . 66 GLU HB3 H 1.861 0.001 . 712 . 66 GLU CG C 36.02 0.02 . 713 . 66 GLU HG2 H 2.175 0.02 . 714 . 66 GLU HG3 H 2.104 0.02 . 715 . 67 VAL H H 8.306 0.004 . 716 . 67 VAL N N 124.035 0.096 . 717 . 67 VAL CA C 62.285 0.067 . 718 . 67 VAL HA H 3.981 0.002 . 719 . 67 VAL C C 176.156 0.02 . 720 . 67 VAL CB C 32.561 0.006 . 721 . 67 VAL HB H 1.96 0.002 . 722 . 67 VAL CG1 C 20.71 0.02 . 723 . 67 VAL HG1 H 0.859 0.009 . 724 . 67 VAL CG2 C 20.71 0.02 . 725 . 67 VAL HG2 H 0.868 0.02 . 726 . 68 LYS H H 8.471 0.002 . 727 . 68 LYS N N 127.405 0.042 . 728 . 68 LYS CA C 55.885 0.092 . 729 . 68 LYS HA H 4.257 0.009 . 730 . 68 LYS C C 175.928 0.02 . 731 . 68 LYS CB C 31.647 0.544 . 732 . 68 LYS HB2 H 1.698 0.02 . 733 . 68 LYS HB3 H 1.694 0.02 . 734 . 68 LYS CG C 24.85 0.02 . 735 . 68 LYS HG2 H 1.327 0.02 . 736 . 68 LYS HG3 H 1.329 0.02 . 737 . 68 LYS CD C 29.5 0.02 . 738 . 68 LYS CE C 41.88 0.02 . 739 . 69 ASP H H 8.412 0.003 . 740 . 69 ASP N N 124.397 0.044 . 741 . 69 ASP CA C 52.436 0.02 . 742 . 69 ASP HA H 4.72 0.003 . 743 . 69 ASP CB C 40.789 0.02 . 744 . 69 ASP HB2 H 2.614 0.02 . 745 . 69 ASP HB3 H 2.4 0.02 . 746 . 70 PRO CA C 63.017 0.089 . 747 . 70 PRO HA H 4.238 0.02 . 748 . 70 PRO C C 176.427 0.02 . 749 . 70 PRO CB C 31.901 0.101 . 750 . 70 PRO HB2 H 2.061 0.02 . 751 . 70 PRO HB3 H 2.061 0.02 . 752 . 70 PRO CG C 27.28 0.02 . 753 . 70 PRO CD C 50.53 0.02 . 754 . 70 PRO HD2 H 3.65 0.02 . 755 . 70 PRO HD3 H 3.65 0.02 . 756 . 71 TYR H H 8.226 0.002 . 757 . 71 TYR N N 121.959 0.122 . 758 . 71 TYR CA C 55.677 0.02 . 759 . 71 TYR HA H 4.755 0.02 . 760 . 71 TYR CB C 38.057 0.02 . 761 . 71 TYR HB2 H 2.992 0.02 . 762 . 71 TYR HB3 H 2.813 0.02 . 763 . 71 TYR HD1 H 7.128 0.02 . 764 . 71 TYR HD2 H 7.128 0.02 . 765 . 71 TYR HE1 H 6.983 0.02 . 766 . 71 TYR HE2 H 6.983 0.02 . 767 . 72 PRO CA C 63.075 0.055 . 768 . 72 PRO HA H 4.376 0.002 . 769 . 72 PRO C C 176.969 0.02 . 770 . 72 PRO CB C 32.07 0.036 . 771 . 72 PRO HB2 H 2.182 0.02 . 772 . 72 PRO HB3 H 2.181 0.02 . 773 . 72 PRO CG C 27.4 0.02 . 774 . 72 PRO HG2 H 1.874 0.02 . 775 . 72 PRO HG3 H 1.874 0.02 . 776 . 72 PRO CD C 50.53 0.02 . 777 . 72 PRO HD2 H 3.781 0.02 . 778 . 72 PRO HD3 H 3.781 0.02 . 779 . 73 SER H H 8.426 0.002 . 780 . 73 SER N N 117.592 0.078 . 781 . 73 SER CA C 58.187 0.053 . 782 . 73 SER HA H 4.349 0.016 . 783 . 73 SER C C 174.559 0.02 . 784 . 73 SER CB C 63.729 0.14 . 785 . 73 SER HB2 H 3.833 0.009 . 786 . 73 SER HB3 H 3.827 0.02 . 787 . 74 ALA H H 8.454 0.003 . 788 . 74 ALA N N 127.046 0.05 . 789 . 74 ALA CA C 52.462 0.055 . 790 . 74 ALA HA H 4.233 0.001 . 791 . 74 ALA C C 177.204 0.02 . 792 . 74 ALA CB C 19.083 0.219 . 793 . 74 ALA HB H 1.284 0.02 . 794 . 75 ASP H H 8.184 0.002 . 795 . 75 ASP N N 120.042 0.094 . 796 . 75 ASP CA C 54.185 0.09 . 797 . 75 ASP HA H 4.439 0.002 . 798 . 75 ASP C C 175.42 0.02 . 799 . 75 ASP CB C 41.165 0.055 . 800 . 75 ASP HB2 H 2.474 0.003 . 801 . 75 ASP HB3 H 2.384 0.001 . 802 . 76 PHE H H 8.139 0.002 . 803 . 76 PHE N N 122.137 0.122 . 804 . 76 PHE CA C 55.357 0.02 . 805 . 76 PHE HA H 4.812 0.02 . 806 . 76 PHE CB C 39.188 0.02 . 807 . 76 PHE HB2 H 3.06 0.02 . 808 . 76 PHE HB3 H 2.892 0.02 . 809 . 76 PHE HD1 H 7.217 0.02 . 810 . 76 PHE HD2 H 7.217 0.02 . 811 . 76 PHE HE1 H 7.029 0.02 . 812 . 76 PHE HE2 H 7.029 0.02 . 813 . 77 PRO CA C 63.288 0.073 . 814 . 77 PRO HA H 4.364 0.001 . 815 . 77 PRO C C 177.446 0.02 . 816 . 77 PRO CB C 32.152 0.1 . 817 . 77 PRO HB2 H 2.195 0.02 . 818 . 77 PRO HB3 H 2.195 0.02 . 819 . 77 PRO CG C 27.1 0.02 . 820 . 77 PRO HG2 H 1.904 0.02 . 821 . 77 PRO HG3 H 1.906 0.02 . 822 . 77 PRO CD C 50.47 0.02 . 823 . 77 PRO HD2 H 3.709 0.02 . 824 . 77 PRO HD3 H 3.709 0.02 . 825 . 78 GLY H H 8.138 0.003 . 826 . 78 GLY N N 110.024 0.092 . 827 . 78 GLY CA C 44.979 0.063 . 828 . 78 GLY HA2 H 3.893 0.007 . 829 . 78 GLY HA3 H 3.893 0.007 . 830 . 78 GLY C C 173.895 0.02 . 831 . 79 ASP H H 8.329 0.002 . 832 . 79 ASP N N 121.532 0.089 . 833 . 79 ASP CA C 54.353 0.012 . 834 . 79 ASP HA H 4.572 0.02 . 835 . 79 ASP C C 176.152 0.02 . 836 . 79 ASP CB C 41.265 0.017 . 837 . 79 ASP HB2 H 2.646 0.02 . 838 . 79 ASP HB3 H 2.539 0.02 . 839 . 80 ASP H H 8.448 0.004 . 840 . 80 ASP N N 121.269 0.06 . 841 . 80 ASP CA C 54.283 0.036 . 842 . 80 ASP HA H 4.548 0.011 . 843 . 80 ASP C C 176.343 0.02 . 844 . 80 ASP CB C 41.071 0.038 . 845 . 80 ASP HB2 H 2.644 0.001 . 846 . 80 ASP HB3 H 2.542 0.001 . 847 . 81 GLU H H 8.34 0.003 . 848 . 81 GLU N N 121.99 0.035 . 849 . 81 GLU CA C 56.433 0.002 . 850 . 81 GLU HA H 4.192 0.009 . 851 . 81 GLU C C 177.61 0.02 . 852 . 81 GLU CB C 30.509 0.02 . 853 . 81 GLU HB2 H 1.987 0.02 . 854 . 81 GLU HB3 H 1.844 0.02 . 855 . 81 GLU CG C 36.03 0.02 . 856 . 81 GLU HG2 H 2.212 0.02 . 857 . 81 GLU HG3 H 2.162 0.02 . 858 . 82 GLU H H 8.307 0.003 . 859 . 82 GLU N N 122.534 0.087 . 860 . 82 GLU CA C 56.817 0.578 . 861 . 82 GLU HA H 4.143 0.059 . 862 . 82 GLU C C 176.304 0.02 . 863 . 82 GLU CB C 30.248 0.304 . 864 . 82 GLU HB2 H 2.025 0.02 . 865 . 82 GLU HB3 H 1.948 0.02 . 866 . 82 GLU CG C 35.82 0.02 . 867 . 82 GLU HG2 H 2.291 0.02 . 868 . 82 GLU HG3 H 2.209 0.02 . 869 . 83 ASP H H 8.461 0.003 . 870 . 83 ASP N N 123.302 0.148 . 871 . 83 ASP CA C 54.206 0.036 . 872 . 83 ASP HA H 4.519 0.006 . 873 . 83 ASP C C 175.994 0.02 . 874 . 83 ASP CB C 41.263 0.011 . 875 . 83 ASP HB2 H 2.597 0.002 . 876 . 83 ASP HB3 H 2.482 0.006 . 877 . 84 GLU H H 8.443 0.002 . 878 . 84 GLU N N 123.623 0.115 . 879 . 84 GLU CA C 56.313 0.02 . 880 . 84 GLU HA H 4.507 0.006 . 881 . 84 GLU CB C 29.908 0.02 . 882 . 84 GLU HB2 H 1.956 0.02 . 883 . 84 GLU HB3 H 1.822 0.02 . 884 . 84 GLU CG C 36.1 0.02 . 885 . 84 GLU HG2 H 2.218 0.02 . 886 . 84 GLU HG3 H 2.218 0.02 . 887 . 85 PRO CA C 62.932 0.146 . 888 . 85 PRO HA H 4.342 0.003 . 889 . 85 PRO C C 176.799 0.02 . 890 . 85 PRO CB C 32.163 0.027 . 891 . 85 PRO CG C 27.11 0.02 . 892 . 85 PRO CD C 50.6 0.02 . 893 . 85 PRO HD2 H 3.79 0.02 . 894 . 85 PRO HD3 H 3.79 0.02 . 895 . 86 GLU H H 8.561 0.005 . 896 . 86 GLU N N 122.499 0.112 . 897 . 86 GLU CA C 56.389 0.142 . 898 . 86 GLU HA H 4.142 0.003 . 899 . 86 GLU C C 176.484 0.02 . 900 . 86 GLU CB C 30.312 0.018 . 901 . 86 GLU HB2 H 1.886 0.008 . 902 . 86 GLU HB3 H 1.874 0.02 . 903 . 86 GLU CG C 36.06 0.02 . 904 . 86 GLU HG2 H 2.222 0.02 . 905 . 86 GLU HG3 H 2.221 0.02 . 906 . 87 ILE H H 8.321 0.004 . 907 . 87 ILE N N 125.348 0.071 . 908 . 87 ILE CA C 58.448 0.02 . 909 . 87 ILE HA H 4.399 0.001 . 910 . 87 ILE CB C 38.417 0.02 . 911 . 87 ILE HB H 1.786 0.02 . 912 . 87 ILE CG2 C 16.87 0.02 . 913 . 87 ILE HG2 H 0.874 0.02 . 914 . 87 ILE CG1 C 26.65 0.02 . 915 . 87 ILE HG13 H 1.113 0.02 . 916 . 87 ILE CD1 C 12.49 0.02 . 917 . 87 ILE HD1 H 0.873 0.02 . 918 . 88 PRO CA C 62.819 0.029 . 919 . 88 PRO HA H 4.375 0.001 . 920 . 88 PRO C C 176.866 0.02 . 921 . 88 PRO CB C 32.158 0.02 . 922 . 88 PRO CG C 27.28 0.02 . 923 . 88 PRO HG2 H 1.802 0.02 . 924 . 88 PRO HG3 H 1.802 0.02 . 925 . 88 PRO CD C 50.96 0.02 . 926 . 88 PRO HD2 H 3.614 0.02 . 927 . 88 PRO HD3 H 3.614 0.02 . 928 . 89 VAL H H 8.371 0.002 . 929 . 89 VAL N N 121.924 0.06 . 930 . 89 VAL CA C 62.382 0.24 . 931 . 89 VAL HA H 4.016 0.003 . 932 . 89 VAL C C 176.447 0.02 . 933 . 89 VAL CB C 32.636 0.15 . 934 . 89 VAL HB H 1.982 0.002 . 935 . 89 VAL CG1 C 20.83 0.02 . 936 . 89 VAL HG1 H 0.895 0.007 . 937 . 89 VAL CG2 C 20.83 0.02 . 938 . 89 VAL HG2 H 0.902 0.02 . 939 . 90 SER H H 8.458 0.003 . 940 . 90 SER N N 122.285 0.079 . 941 . 90 SER CA C 56.331 0.02 . 942 . 90 SER HA H 4.692 0.02 . 943 . 90 SER CB C 63.368 0.02 . 944 . 90 SER HB2 H 3.791 0.02 . 945 . 90 SER HB3 H 3.734 0.02 . 946 . 91 PRO CA C 62.762 0.065 . 947 . 91 PRO HA H 4.345 0.005 . 948 . 91 PRO C C 176.645 0.02 . 949 . 91 PRO CB C 32.258 0.067 . 950 . 91 PRO HB2 H 2.213 0.02 . 951 . 91 PRO HB3 H 2.213 0.02 . 952 . 91 PRO CG C 27.28 0.02 . 953 . 91 PRO CD C 50.55 0.02 . 954 . 91 PRO HD2 H 3.561 0.02 . 955 . 91 PRO HD3 H 3.561 0.02 . 956 . 92 ARG H H 8.493 0.002 . 957 . 92 ARG N N 123.827 0.047 . 958 . 92 ARG CA C 53.624 0.02 . 959 . 92 ARG HA H 4.515 0.005 . 960 . 92 ARG CB C 29.85 0.02 . 961 . 92 ARG HB2 H 1.796 0.02 . 962 . 92 ARG HB3 H 1.792 0.02 . 963 . 92 ARG CG C 26.9 0.02 . 964 . 92 ARG HG2 H 1.658 0.02 . 965 . 92 ARG HG3 H 1.658 0.02 . 966 . 92 ARG CD C 43.32 0.02 . 967 . 92 ARG HD2 H 3.156 0.02 . 968 . 92 ARG HD3 H 3.156 0.02 . 969 . 93 PRO CA C 62.823 0.035 . 970 . 93 PRO HA H 4.376 0.001 . 971 . 93 PRO C C 176.668 0.02 . 972 . 93 PRO CB C 32.244 0.091 . 973 . 93 PRO HB2 H 2.216 0.02 . 974 . 93 PRO CG C 27.28 0.02 . 975 . 93 PRO CD C 50.4 0.02 . 976 . 93 PRO HD2 H 3.54 0.02 . 977 . 93 PRO HD3 H 3.54 0.02 . 978 . 94 ARG H H 8.464 0.003 . 979 . 94 ARG N N 123.93 0.081 . 980 . 94 ARG CA C 56.207 0.02 . 981 . 94 ARG HA H 4.523 0.005 . 982 . 94 ARG CB C 30.308 0.02 . 983 . 94 ARG HB2 H 1.784 0.02 . 984 . 94 ARG HB3 H 1.784 0.02 . 985 . 94 ARG CG C 27.01 0.02 . 986 . 94 ARG HG2 H 1.654 0.02 . 987 . 94 ARG HG3 H 1.654 0.02 . 988 . 94 ARG CD C 43.12 0.02 . 989 . 94 ARG HD2 H 3.162 0.02 . 990 . 94 ARG HD3 H 3.162 0.02 . 991 . 95 PRO CA C 62.816 0.048 . 992 . 95 PRO HA H 4.341 0.02 . 993 . 95 PRO C C 177.062 0.02 . 994 . 95 PRO CB C 32.276 0.196 . 995 . 95 PRO HB2 H 2.252 0.02 . 996 . 95 PRO CG C 27.05 0.02 . 997 . 95 PRO HG2 H 1.815 0.02 . 998 . 95 PRO CD C 50.44 0.02 . 999 . 95 PRO HD2 H 3.451 0.02 . 1000 . 95 PRO HD3 H 3.451 0.02 . 1001 . 96 LEU H H 8.415 0.001 . 1002 . 96 LEU N N 123.904 0.08 . 1003 . 96 LEU CA C 55.774 0.066 . 1004 . 96 LEU HA H 4.162 0.003 . 1005 . 96 LEU C C 177.843 0.02 . 1006 . 96 LEU CB C 42.045 0.118 . 1007 . 96 LEU HB2 H 1.611 0.007 . 1008 . 96 LEU HB3 H 1.611 0.02 . 1009 . 96 LEU CG C 26.86 0.02 . 1010 . 96 LEU CD1 C 24.59 0.02 . 1011 . 96 LEU HD1 H 0.843 0.004 . 1012 . 96 LEU CD2 C 23.2 0.02 . 1013 . 96 LEU HD2 H 0.839 0.02 . 1014 . 96 LEU HG H 1.515 0.001 . 1015 . 97 ALA H H 8.368 0.003 . 1016 . 97 ALA N N 124.602 0.06 . 1017 . 97 ALA CA C 52.98 0.064 . 1018 . 97 ALA HA H 4.167 0.007 . 1019 . 97 ALA C C 178.284 0.02 . 1020 . 97 ALA CB C 19.246 0.078 . 1021 . 97 ALA HB H 1.331 0.002 . 1022 . 98 GLU H H 8.262 0.003 . 1023 . 98 GLU N N 120.041 0.039 . 1024 . 98 GLU CA C 56.672 0.193 . 1025 . 98 GLU HA H 4.163 0.021 . 1026 . 98 GLU C C 177.002 0.02 . 1027 . 98 GLU CB C 30.148 0.048 . 1028 . 98 GLU HB2 H 1.999 0.003 . 1029 . 98 GLU HB3 H 1.886 0.004 . 1030 . 98 GLU CG C 36.14 0.02 . 1031 . 98 GLU HG2 H 2.203 0.005 . 1032 . 98 GLU HG3 H 2.195 0.02 . 1033 . 99 LEU H H 8.133 0.004 . 1034 . 99 LEU N N 123.476 0.153 . 1035 . 99 LEU CA C 55.473 0.142 . 1036 . 99 LEU HA H 4.219 0.013 . 1037 . 99 LEU C C 177.619 0.02 . 1038 . 99 LEU CB C 42.066 0.08 . 1039 . 99 LEU HB2 H 1.619 0.02 . 1040 . 99 LEU HB3 H 1.619 0.02 . 1041 . 99 LEU CG C 26.74 0.02 . 1042 . 99 LEU CD1 C 24.87 0.02 . 1043 . 99 LEU HD1 H 0.812 0.02 . 1044 . 99 LEU CD2 C 23.14 0.02 . 1045 . 99 LEU HD2 H 0.808 0.004 . 1046 . 99 LEU HG H 1.525 0.008 . 1047 . 100 GLN H H 8.293 0.004 . 1048 . 100 GLN N N 121.54 0.057 . 1049 . 100 GLN CA C 55.759 0.104 . 1050 . 100 GLN HA H 4.227 0.01 . 1051 . 100 GLN C C 176.092 0.02 . 1052 . 100 GLN CB C 29.188 0.028 . 1053 . 100 GLN HB2 H 2.026 0.001 . 1054 . 100 GLN HB3 H 1.93 0.001 . 1055 . 100 GLN CG C 33.68 0.02 . 1056 . 100 GLN HG2 H 2.306 0.02 . 1057 . 100 GLN HG3 H 2.306 0.02 . 1058 . 101 LEU H H 8.197 0.003 . 1059 . 101 LEU N N 124.259 0.071 . 1060 . 101 LEU CA C 53.888 1.103 . 1061 . 101 LEU HA H 4.234 0.004 . 1062 . 101 LEU C C 177.57 0.02 . 1063 . 101 LEU CB C 42.104 0.115 . 1064 . 101 LEU HB2 H 1.595 0.02 . 1065 . 101 LEU HB3 H 1.595 0.02 . 1066 . 101 LEU CG C 26.8 0.02 . 1067 . 101 LEU CD1 C 25.18 0.02 . 1068 . 101 LEU HD1 H 0.854 0.02 . 1069 . 101 LEU CD2 C 23.11 0.02 . 1070 . 101 LEU HD2 H 0.793 0.02 . 1071 . 101 LEU HG H 1.524 0.02 . 1072 . 102 LYS H H 8.289 0.005 . 1073 . 102 LYS N N 123.036 0.115 . 1074 . 102 LYS CA C 56.16 0.225 . 1075 . 102 LYS HA H 4.216 0.007 . 1076 . 102 LYS C C 176.695 0.02 . 1077 . 102 LYS CB C 32.869 0.124 . 1078 . 102 LYS HB2 H 1.744 0.03 . 1079 . 102 LYS HB3 H 1.629 0.02 . 1080 . 102 LYS CG C 24.62 0.02 . 1081 . 102 LYS HG2 H 1.378 0.02 . 1082 . 102 LYS HG3 H 1.382 0.004 . 1083 . 102 LYS CD C 28.98 0.02 . 1084 . 102 LYS HD2 H 1.51 0.02 . 1085 . 102 LYS HD3 H 1.507 0.02 . 1086 . 102 LYS CE C 41.85 0.02 . 1087 . 103 GLU H H 8.385 0.004 . 1088 . 103 GLU N N 122.979 0.127 . 1089 . 103 GLU CA C 56.487 0.02 . 1090 . 103 GLU HA H 4.177 0.02 . 1091 . 103 GLU C C 177.513 0.02 . 1092 . 103 GLU CB C 30.362 0.02 . 1093 . 103 GLU HB2 H 1.964 0.02 . 1094 . 103 GLU HB3 H 1.883 0.02 . 1095 . 103 GLU CG C 36.16 0.02 . 1096 . 103 GLU HG2 H 2.189 0.02 . 1097 . 103 GLU HG3 H 2.19 0.02 . 1098 . 104 LYS H H 8.253 0.004 . 1099 . 104 LYS N N 122.969 0.023 . 1100 . 104 LYS CA C 56.073 0.055 . 1101 . 104 LYS HA H 4.241 0.061 . 1102 . 104 LYS C C 176.149 0.02 . 1103 . 104 LYS CB C 33.007 0.032 . 1104 . 104 LYS HB2 H 1.757 0.02 . 1105 . 104 LYS HB3 H 1.688 0.02 . 1106 . 104 LYS CG C 24.56 0.02 . 1107 . 104 LYS HG2 H 1.307 0.02 . 1108 . 104 LYS HG3 H 1.307 0.02 . 1109 . 104 LYS CD C 28.92 0.02 . 1110 . 104 LYS CE C 41.87 0.02 . 1111 . 104 LYS HE2 H 2.86 0.02 . 1112 . 104 LYS HE3 H 2.86 0.02 . 1113 . 105 ALA H H 8.341 0.003 . 1114 . 105 ALA N N 127.046 0.101 . 1115 . 105 ALA CA C 52.326 0.155 . 1116 . 105 ALA HA H 4.258 0.003 . 1117 . 105 ALA C C 176.516 0.02 . 1118 . 105 ALA CB C 19.125 0.153 . 1119 . 105 ALA HB H 1.29 0.001 . 1120 . 106 VAL H H 8.255 0.005 . 1121 . 106 VAL N N 122.995 0.117 . 1122 . 106 VAL CA C 59.824 0.02 . 1123 . 106 VAL HA H 4.015 0.004 . 1124 . 106 VAL CB C 32.656 0.02 . 1125 . 106 VAL HB H 2.01 0.02 . 1126 . 106 VAL CG1 C 20.87 0.02 . 1127 . 106 VAL HG1 H 0.876 0.02 . 1128 . 106 VAL CG2 C 20.87 0.02 . 1129 . 106 VAL HG2 H 0.895 0.02 . 1130 . 107 PRO CA C 62.783 0.065 . 1131 . 107 PRO HA H 4.34 0.02 . 1132 . 107 PRO C C 176.547 0.02 . 1133 . 107 PRO CB C 32.129 0.052 . 1134 . 107 PRO HB2 H 2.198 0.02 . 1135 . 107 PRO CG C 27.2 0.02 . 1136 . 107 PRO CD C 50.34 0.02 . 1137 . 107 PRO HD2 H 3.377 0.02 . 1138 . 107 PRO HD3 H 3.377 0.02 . 1139 . 108 ILE H H 8.358 0.004 . 1140 . 108 ILE N N 124.135 0.09 . 1141 . 108 ILE CA C 58.708 0.02 . 1142 . 108 ILE HA H 4.352 0.012 . 1143 . 108 ILE CB C 38.429 0.02 . 1144 . 108 ILE HB H 1.79 0.02 . 1145 . 108 ILE CG2 C 17.07 0.02 . 1146 . 108 ILE HG2 H 0.907 0.02 . 1147 . 108 ILE CG1 C 26.82 0.02 . 1148 . 108 ILE HG12 H 1.504 0.02 . 1149 . 108 ILE HG13 H 1.138 0.02 . 1150 . 108 ILE CD1 C 12.67 0.02 . 1151 . 108 ILE HD1 H 0.834 0.02 . 1152 . 109 PRO CA C 63.063 0.046 . 1153 . 109 PRO HA H 4.308 0.002 . 1154 . 109 PRO C C 176.903 0.02 . 1155 . 109 PRO CB C 32.247 0.139 . 1156 . 110 GLU H H 8.575 0.005 . 1157 . 110 GLU N N 122.493 0.102 . 1158 . 110 GLU CA C 56.545 0.088 . 1159 . 110 GLU HA H 4.109 0.004 . 1160 . 110 GLU C C 176.695 0.02 . 1161 . 110 GLU CB C 30.156 0.057 . 1162 . 110 GLU HB2 H 1.969 0.02 . 1163 . 110 GLU HB3 H 1.939 0.045 . 1164 . 110 GLU CG C 36.13 0.02 . 1165 . 110 GLU HG2 H 2.234 0.02 . 1166 . 111 ALA H H 8.477 0.003 . 1167 . 111 ALA N N 126.545 0.079 . 1168 . 111 ALA CA C 52.871 0.05 . 1169 . 111 ALA HA H 4.223 0.003 . 1170 . 111 ALA C C 178.097 0.02 . 1171 . 111 ALA CB C 19.202 0.016 . 1172 . 111 ALA HB H 1.352 0.02 . 1173 . 112 SER H H 8.339 0.003 . 1174 . 112 SER N N 115.731 0.079 . 1175 . 112 SER CA C 58.326 0.077 . 1176 . 112 SER HA H 4.312 0.002 . 1177 . 112 SER C C 174.916 0.02 . 1178 . 112 SER CB C 63.84 0.158 . 1179 . 112 SER HB2 H 3.823 0.02 . 1180 . 112 SER HB3 H 3.756 0.02 . 1181 . 113 SER H H 8.269 0.012 . 1182 . 113 SER N N 118.893 0.066 . 1183 . 113 SER CA C 58.411 0.165 . 1184 . 113 SER HA H 4.316 0.005 . 1185 . 113 SER C C 174.07 0.02 . 1186 . 113 SER CB C 63.851 0.231 . 1187 . 113 SER HB2 H 3.712 0.02 . 1188 . 113 SER HB3 H 3.712 0.02 . 1189 . 114 PHE H H 8.037 0.004 . 1190 . 114 PHE N N 122.324 0.141 . 1191 . 114 PHE CA C 57.68 0.183 . 1192 . 114 PHE HA H 4.277 0.225 . 1193 . 114 PHE C C 175.164 0.02 . 1194 . 114 PHE CB C 39.521 0.044 . 1195 . 114 PHE HB2 H 2.968 0.02 . 1196 . 114 PHE HB3 H 2.861 0.02 . 1197 . 114 PHE HD1 H 7.091 0.02 . 1198 . 114 PHE HD2 H 7.091 0.02 . 1199 . 114 PHE HE1 H 7.545 0.02 . 1200 . 114 PHE HE2 H 7.545 0.02 . 1201 . 115 PHE H H 8.028 0.005 . 1202 . 115 PHE N N 122.459 0.057 . 1203 . 115 PHE CA C 57.629 0.045 . 1204 . 115 PHE HA H 4.47 0.015 . 1205 . 115 PHE C C 174.923 0.02 . 1206 . 115 PHE CB C 39.862 0.02 . 1207 . 115 PHE HB2 H 2.923 0.03 . 1208 . 115 PHE HB3 H 2.875 0.02 . 1209 . 115 PHE HD1 H 7.08 0.02 . 1210 . 115 PHE HD2 H 7.08 0.02 . 1211 . 115 PHE HE1 H 7.251 0.02 . 1212 . 115 PHE HE2 H 7.251 0.02 . 1213 . 116 ILE H H 7.906 0.002 . 1214 . 116 ILE N N 124.44 0.075 . 1215 . 116 ILE CA C 60.542 0.042 . 1216 . 116 ILE HA H 3.97 0.001 . 1217 . 116 ILE C C 175.325 0.02 . 1218 . 116 ILE CB C 39.051 0.208 . 1219 . 116 ILE HB H 1.619 0.004 . 1220 . 116 ILE CG2 C 17.08 0.02 . 1221 . 116 ILE HG2 H 0.707 0.02 . 1222 . 116 ILE CG1 C 26.99 0.02 . 1223 . 116 ILE HG12 H 1.329 0.02 . 1224 . 116 ILE HG13 H 1.017 0.02 . 1225 . 116 ILE CD1 C 12.42 0.02 . 1226 . 116 ILE HD1 H 0.711 0.001 . 1227 . 117 PHE H H 8.333 0.002 . 1228 . 117 PHE N N 126.278 0.13 . 1229 . 117 PHE CA C 57.707 0.06 . 1230 . 117 PHE HA H 4.494 0.002 . 1231 . 117 PHE C C 175.28 0.02 . 1232 . 117 PHE CB C 39.71 0.096 . 1233 . 117 PHE HB2 H 2.982 0.02 . 1234 . 117 PHE HB3 H 2.982 0.02 . 1235 . 118 SER H H 8.181 0.002 . 1236 . 118 SER N N 121.091 0.072 . 1237 . 118 SER CA C 55.465 0.02 . 1238 . 118 SER HA H 4.637 0.02 . 1239 . 118 SER CB C 63.174 0.02 . 1240 . 118 SER HB2 H 3.688 0.02 . 1241 . 118 SER HB3 H 3.688 0.02 . 1242 . 119 PRO CA C 63.233 0.035 . 1243 . 119 PRO HA H 4.354 0.001 . 1244 . 119 PRO C C 177.219 0.02 . 1245 . 119 PRO CB C 32.21 0.02 . 1246 . 119 PRO HG2 H 2.016 0.02 . 1247 . 119 PRO HG3 H 1.931 0.02 . 1248 . 120 THR H H 8.152 0.002 . 1249 . 120 THR N N 113.913 0.071 . 1250 . 120 THR CA C 61.894 0.1 . 1251 . 120 THR HA H 4.225 0.002 . 1252 . 120 THR C C 174.423 0.02 . 1253 . 120 THR CB C 69.563 0.022 . 1254 . 120 THR HB H 4.164 0.02 . 1255 . 120 THR HG2 H 1.141 0.02 . 1256 . 121 ASN H H 8.283 0.003 . 1257 . 121 ASN N N 122.075 0.082 . 1258 . 121 ASN CA C 53.11 0.054 . 1259 . 121 ASN HA H 4.646 0.002 . 1260 . 121 ASN C C 177.559 0.02 . 1261 . 121 ASN CB C 38.926 0.117 . 1262 . 121 ASN HB2 H 2.697 0.02 . 1263 . 121 ASN HB3 H 2.697 0.02 . 1264 . 122 LYS H H 8.285 0.004 . 1265 . 122 LYS N N 123.053 0.037 . 1266 . 122 LYS CA C 56.109 0.047 . 1267 . 122 LYS HA H 4.258 0.005 . 1268 . 122 LYS C C 176.423 0.02 . 1269 . 122 LYS CB C 33.786 0.02 . 1270 . 122 LYS HB2 H 1.738 0.022 . 1271 . 122 LYS HB3 H 1.65 0.021 . 1272 . 122 LYS CG C 24.8 0.02 . 1273 . 122 LYS HG2 H 1.378 0.02 . 1274 . 122 LYS HG3 H 1.378 0.02 . 1275 . 122 LYS CD C 29.57 0.02 . 1276 . 122 LYS HD2 H 1.507 0.02 . 1277 . 122 LYS HD3 H 1.507 0.02 . 1278 . 122 LYS CE C 41.88 0.02 . 1279 . 122 LYS HE2 H 2.878 0.02 . 1280 . 122 LYS HE3 H 2.878 0.02 . 1281 . 123 VAL H H 8.192 0.003 . 1282 . 123 VAL N N 123.336 0.032 . 1283 . 123 VAL CA C 62.264 0.028 . 1284 . 123 VAL HA H 3.985 0.002 . 1285 . 123 VAL C C 175.795 0.02 . 1286 . 123 VAL CB C 32.932 0.27 . 1287 . 123 VAL HB H 1.961 0.02 . 1288 . 123 VAL CG1 C 20.89 0.02 . 1289 . 123 VAL HG1 H 0.872 0.02 . 1290 . 123 VAL CG2 C 20.89 0.02 . 1291 . 123 VAL HG2 H 0.857 0.015 . 1292 . 124 ARG H H 8.471 0.002 . 1293 . 124 ARG N N 127.373 0.077 . 1294 . 124 ARG CA C 55.876 0.042 . 1295 . 124 ARG HA H 4.271 0.011 . 1296 . 124 ARG C C 175.794 0.02 . 1297 . 124 ARG CB C 31.012 0.044 . 1298 . 124 ARG HB2 H 1.686 0.025 . 1299 . 124 ARG HB3 H 1.661 0.02 . 1300 . 124 ARG CG C 27.01 0.02 . 1301 . 124 ARG HG2 H 1.568 0.02 . 1302 . 124 ARG HG3 H 1.466 0.02 . 1303 . 124 ARG CD C 43.58 0.02 . 1304 . 124 ARG HD2 H 3.098 0.02 . 1305 . 124 ARG HD3 H 3.098 0.02 . 1306 . 125 VAL H H 8.371 0.003 . 1307 . 125 VAL N N 125.16 0.056 . 1308 . 125 VAL CA C 62.386 0.02 . 1309 . 125 VAL HA H 4.019 0.02 . 1310 . 125 VAL C C 175.243 0.02 . 1311 . 125 VAL CB C 32.636 0.02 . 1312 . 125 VAL HB H 1.981 0.02 . 1313 . 125 VAL CG1 C 20.88 0.02 . 1314 . 125 VAL HG1 H 0.875 0.02 . 1315 . 125 VAL CG2 C 20.88 0.02 . 1316 . 125 VAL HG2 H 0.899 0.02 . 1317 . 126 LEU H H 8.017 0.002 . 1318 . 126 LEU N N 133.4 0.135 . 1319 . 126 LEU CA C 56.63 0.02 . 1320 . 126 LEU HA H 4.116 0.02 . 1321 . 126 LEU CB C 43.26 0.02 . 1322 . 126 LEU CG C 26.98 0.02 . 1323 . 126 LEU CD1 C 24.73 0.02 . 1324 . 126 LEU HD1 H 0.816 0.02 . 1325 . 126 LEU CD2 C 24.58 0.02 . 1326 . 126 LEU HD2 H 0.835 0.02 . 1327 . 126 LEU HG H 1.522 0.02 . stop_ save_