data_25859 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Productive complex between MMP-12 and synthetic triple-helical collagen, revealed through paramagnetic NMR ; _BMRB_accession_number 25859 _BMRB_flat_file_name bmr25859.str _Entry_type original _Submission_date 2015-10-24 _Accession_date 2015-10-24 _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 Prior Stephen H. . 2 VanDoren Steven R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 799 "13C chemical shifts" 635 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-22 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 7089 'Uncomplexed form.' stop_ _Original_release_date 2016-02-22 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N peak assignments and secondary structure of human macrophage metalloelastase (MMP-12) in its inhibitor-free state ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16855860 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bhaskaran Rajagopalan . . 2 VanDoren Steven R. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 1' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 55 _Page_last 55 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'complex between MMP-12 and synthetic triple-helical collagen' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MMP-12 $MMP-12 THP_1 $THP THP_2 $THP THP_3 $THP 'ZINC ION_1' $entity_ZN 'ZINC ION_2' $entity_ZN 'CALCIUM ION_1' $entity_CA 'CALCIUM ION_2' $entity_CA 'CALCIUM ION_3' $entity_CA water $entity_HOH stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'degrades elastin and alpha1-antitrypsin' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MMP-12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MMP-12 _Molecular_mass 18235.561 _Mol_thiol_state 'not present' loop_ _Biological_function 'Protease- Degrades Elastin and alpha1-antitrypsin' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; FREMPGGPVWRKHYITYRIN NYTPDMNREDVDYAIRKAFQ VWSNVTPLKFSKINTGMADI LVVFARGAHGDFHAFDGKGG ILAHAFGPGSGIGGDAHFDE DEFWTTHSGGTNLFLTAVHE IGHSLGLGHSSDPKAVMFPT YKYVDINTFRLSADDIRGIQ SLYG ; loop_ _Residue_seq_code _Residue_label 1 PHE 2 ARG 3 GLU 4 MET 5 PRO 6 GLY 7 GLY 8 PRO 9 VAL 10 TRP 11 ARG 12 LYS 13 HIS 14 TYR 15 ILE 16 THR 17 TYR 18 ARG 19 ILE 20 ASN 21 ASN 22 TYR 23 THR 24 PRO 25 ASP 26 MET 27 ASN 28 ARG 29 GLU 30 ASP 31 VAL 32 ASP 33 TYR 34 ALA 35 ILE 36 ARG 37 LYS 38 ALA 39 PHE 40 GLN 41 VAL 42 TRP 43 SER 44 ASN 45 VAL 46 THR 47 PRO 48 LEU 49 LYS 50 PHE 51 SER 52 LYS 53 ILE 54 ASN 55 THR 56 GLY 57 MET 58 ALA 59 ASP 60 ILE 61 LEU 62 VAL 63 VAL 64 PHE 65 ALA 66 ARG 67 GLY 68 ALA 69 HIS 70 GLY 71 ASP 72 PHE 73 HIS 74 ALA 75 PHE 76 ASP 77 GLY 78 LYS 79 GLY 80 GLY 81 ILE 82 LEU 83 ALA 84 HIS 85 ALA 86 PHE 87 GLY 88 PRO 89 GLY 90 SER 91 GLY 92 ILE 93 GLY 94 GLY 95 ASP 96 ALA 97 HIS 98 PHE 99 ASP 100 GLU 101 ASP 102 GLU 103 PHE 104 TRP 105 THR 106 THR 107 HIS 108 SER 109 GLY 110 GLY 111 THR 112 ASN 113 LEU 114 PHE 115 LEU 116 THR 117 ALA 118 VAL 119 HIS 120 GLU 121 ILE 122 GLY 123 HIS 124 SER 125 LEU 126 GLY 127 LEU 128 GLY 129 HIS 130 SER 131 SER 132 ASP 133 PRO 134 LYS 135 ALA 136 VAL 137 MET 138 PHE 139 PRO 140 THR 141 TYR 142 LYS 143 TYR 144 VAL 145 ASP 146 ILE 147 ASN 148 THR 149 PHE 150 ARG 151 LEU 152 SER 153 ALA 154 ASP 155 ASP 156 ILE 157 ARG 158 GLY 159 ILE 160 GLN 161 SER 162 LEU 163 TYR 164 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_THP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common THP _Molecular_mass 3291.483 _Mol_thiol_state 'not present' _Details . _Residue_count 36 _Mol_residue_sequence ; GPXGPXGPXGPXGPPGVVGE QGEQGPXGPXGPXGPX ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 HYP 4 GLY 5 PRO 6 HYP 7 GLY 8 PRO 9 HYP 10 GLY 11 PRO 12 HYP 13 GLY 14 PRO 15 PRO 16 GLY 17 VAL 18 VAL 19 GLY 20 GLU 21 GLN 22 GLY 23 GLU 24 GLN 25 GLY 26 PRO 27 HYP 28 GLY 29 PRO 30 HYP 31 GLY 32 PRO 33 HYP 34 GLY 35 PRO 36 HYP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_HYP _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common 4-HYDROXYPROLINE _BMRB_code HYP _PDB_code HYP _Standard_residue_derivative . _Molecular_mass 131.130 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? OD1 OD1 O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG HG H . 0 . ? HD22 HD22 H . 0 . ? HD23 HD23 H . 0 . ? HD1 HD1 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N CD ? ? SING N H ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG OD1 ? ? SING CG HG ? ? SING CD HD22 ? ? SING CD HD23 ? ? SING OD1 HD1 ? ? SING OXT HXT ? ? stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CA (CALCIUM ION)" _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MMP-12 Human 9606 Eukaryota Metazoa Homo sapiens $THP 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 $MMP-12 'recombinant technology' . . . BL21(DE3)RIL pET-22b $THP 'chemical synthesis' . . . . . $entity_ZN 'obtained from a vendor' . . . . . $entity_CA 'obtained from a vendor' . . . . . $entity_HOH 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Unprimed _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MMP-12 0.4 mM '[U-99% 15N]' $THP 0.6 mM 'TOAC labelled in P5 position' stop_ save_ save_Primed _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MMP-12 0.25 mM '[U-100% 12C; U-100% 15N; U-100% 2H; U-100% 13CH3]' $THP 0.38 mM "TOAC labelled in P8' position" stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_HADDOCK _Saveframe_category software _Name HADDOCK _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Alexandre Bonvin' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_q_test-py _Saveframe_category software _Name q_test.py _Version . loop_ _Vendor _Address _Electronic_address 'Stephen H. Prior' . . stop_ loop_ _Task 'structure solution' stop_ _Details In-house save_ save_GROMOS _Saveframe_category software _Name GROMOS _Version . loop_ _Vendor _Address _Electronic_address 'van Gunsteren and Berendsen' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 600 save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Unprimed save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Primed save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $Primed save_ ####################### # Sample conditions # ####################### save_sample_conditions_Unprimed _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 0.05 pH temperature 299 1 K stop_ save_ save_sample_conditions_Primed _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 0.05 pH temperature 299 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $Unprimed stop_ _Sample_conditions_label $sample_conditions_Unprimed _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name MMP-12 _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 1 101 2 ARG H H 9.060 0.04 1 2 101 2 ARG HA H 4.550 0.04 1 3 101 2 ARG HB3 H 1.820 0.04 2 4 101 2 ARG HG2 H 1.670 0.04 2 5 101 2 ARG HD3 H 3.110 0.04 2 6 101 2 ARG C C 175.600 0.30 1 7 101 2 ARG CA C 57.880 0.30 1 8 101 2 ARG CB C 29.530 0.30 1 9 101 2 ARG CG C 26.900 0.30 1 10 101 2 ARG CD C 41.500 0.30 1 11 101 2 ARG N N 118.080 0.40 1 12 102 3 GLU H H 8.950 0.04 1 13 102 3 GLU HA H 4.220 0.04 1 14 102 3 GLU HB3 H 1.570 0.04 2 15 102 3 GLU HG3 H 2.360 0.04 2 16 102 3 GLU C C 173.300 0.30 1 17 102 3 GLU CA C 61.720 0.30 1 18 102 3 GLU CB C 35.300 0.30 1 19 102 3 GLU CG C 39.600 0.30 1 20 102 3 GLU N N 124.230 0.40 1 21 103 4 MET H H 7.620 0.04 1 22 103 4 MET HA H 4.690 0.04 1 23 103 4 MET HB2 H 1.690 0.04 2 24 103 4 MET HB3 H 1.470 0.04 2 25 103 4 MET CA C 53.600 0.30 1 26 103 4 MET CE C 19.000 0.30 1 27 103 4 MET N N 130.090 0.40 1 28 104 5 PRO HA H 4.350 0.04 1 29 104 5 PRO HB3 H 2.310 0.04 2 30 104 5 PRO HG3 H 1.990 0.04 2 31 104 5 PRO HD3 H 3.700 0.04 2 32 104 5 PRO C C 177.400 0.30 1 33 104 5 PRO CA C 63.540 0.30 1 34 104 5 PRO CB C 32.450 0.30 1 35 104 5 PRO CG C 27.400 0.30 1 36 104 5 PRO CD C 47.600 0.30 1 37 105 6 GLY H H 8.420 0.04 1 38 105 6 GLY HA2 H 3.920 0.04 2 39 105 6 GLY HA3 H 4.380 0.04 2 40 105 6 GLY CA C 45.360 0.30 1 41 105 6 GLY N N 109.410 0.40 1 42 106 7 GLY H H 7.960 0.04 1 43 106 7 GLY HA2 H 3.890 0.04 2 44 106 7 GLY HA3 H 4.090 0.04 2 45 106 7 GLY CA C 44.490 0.30 1 46 106 7 GLY N N 108.230 0.40 1 47 107 8 PRO HA H 3.830 0.04 1 48 107 8 PRO HB2 H 2.220 0.04 2 49 107 8 PRO HB3 H 2.000 0.04 2 50 107 8 PRO HG3 H 1.750 0.04 2 51 107 8 PRO HD2 H 3.600 0.04 2 52 107 8 PRO HD3 H 3.490 0.04 2 53 107 8 PRO CA C 64.520 0.30 1 54 107 8 PRO CB C 35.000 0.30 1 55 108 9 VAL H H 7.010 0.04 1 56 108 9 VAL HA H 4.630 0.04 1 57 108 9 VAL HB H 1.740 0.04 1 58 108 9 VAL HG1 H 0.690 0.04 2 59 108 9 VAL HG2 H 0.600 0.04 2 60 108 9 VAL CA C 59.040 0.30 1 61 108 9 VAL N N 109.090 0.40 1 62 109 10 TRP HB2 H 2.950 0.04 2 63 109 10 TRP HB3 H 2.810 0.04 2 64 109 10 TRP HD1 H 7.200 0.04 1 65 109 10 TRP HE1 H 10.100 0.04 1 66 109 10 TRP HE3 H 7.800 0.04 1 67 109 10 TRP HZ2 H 7.430 0.04 1 68 109 10 TRP HH2 H 7.190 0.04 1 69 109 10 TRP CB C 27.000 0.30 1 70 109 10 TRP CD1 C 122.500 0.30 1 71 109 10 TRP CE3 C 119.000 0.30 1 72 109 10 TRP CZ2 C 112.000 0.30 1 73 109 10 TRP CH2 C 122.300 0.30 1 74 109 10 TRP NE1 N 130.000 0.40 1 75 110 11 ARG H H 8.550 0.04 1 76 110 11 ARG HA H 4.560 0.04 1 77 110 11 ARG HB3 H 1.720 0.04 2 78 110 11 ARG HG2 H 1.560 0.04 2 79 110 11 ARG HD2 H 3.170 0.04 2 80 110 11 ARG HD3 H 2.970 0.04 2 81 110 11 ARG C C 176.500 0.30 1 82 110 11 ARG CA C 55.600 0.30 1 83 110 11 ARG CB C 28.800 0.30 1 84 110 11 ARG CG C 27.300 0.30 1 85 110 11 ARG CD C 43.300 0.30 1 86 110 11 ARG N N 118.180 0.40 1 87 111 12 LYS H H 7.530 0.04 1 88 111 12 LYS HA H 4.540 0.04 1 89 111 12 LYS HB2 H 2.130 0.04 2 90 111 12 LYS HB3 H 1.970 0.04 2 91 111 12 LYS HG2 H 1.400 0.04 2 92 111 12 LYS HG3 H 1.190 0.04 2 93 111 12 LYS HD2 H 1.750 0.04 2 94 111 12 LYS HE2 H 3.470 0.04 2 95 111 12 LYS C C 174.100 0.30 1 96 111 12 LYS CA C 54.530 0.30 1 97 111 12 LYS CB C 26.800 0.30 1 98 111 12 LYS CG C 22.500 0.30 1 99 111 12 LYS CD C 27.600 0.30 1 100 111 12 LYS N N 115.550 0.40 1 101 112 13 HIS H H 8.390 0.04 1 102 112 13 HIS HA H 4.820 0.04 1 103 112 13 HIS HB2 H 2.800 0.04 2 104 112 13 HIS HB3 H 3.310 0.04 2 105 112 13 HIS HD2 H 6.680 0.04 1 106 112 13 HIS HE1 H 8.110 0.04 1 107 112 13 HIS C C 173.300 0.30 1 108 112 13 HIS CA C 54.600 0.30 1 109 112 13 HIS CB C 31.500 0.30 1 110 112 13 HIS CD2 C 114.300 0.30 1 111 112 13 HIS CE1 C 136.300 0.30 1 112 112 13 HIS N N 114.390 0.40 1 113 113 14 TYR H H 7.000 0.04 1 114 113 14 TYR HA H 4.540 0.04 1 115 113 14 TYR HB2 H 2.740 0.04 2 116 113 14 TYR HB3 H 2.860 0.04 2 117 113 14 TYR HD2 H 7.170 0.04 1 118 113 14 TYR HE2 H 6.690 0.04 1 119 113 14 TYR C C 173.900 0.30 1 120 113 14 TYR CA C 56.850 0.30 1 121 113 14 TYR CB C 38.640 0.30 1 122 113 14 TYR CD2 C 131.100 0.30 1 123 113 14 TYR CE2 C 116.100 0.30 1 124 113 14 TYR N N 120.160 0.40 1 125 114 15 ILE H H 8.320 0.04 1 126 114 15 ILE HA H 4.180 0.04 1 127 114 15 ILE HB H 2.220 0.04 1 128 114 15 ILE HG12 H 1.100 0.04 2 129 114 15 ILE HG13 H 1.370 0.04 2 130 114 15 ILE HG2 H 0.750 0.04 1 131 114 15 ILE HD1 H 0.420 0.04 1 132 114 15 ILE C C 175.400 0.30 1 133 114 15 ILE CA C 59.030 0.30 1 134 114 15 ILE CB C 40.830 0.30 1 135 114 15 ILE CG1 C 27.900 0.30 1 136 114 15 ILE CG2 C 17.000 0.30 1 137 114 15 ILE N N 128.600 0.40 1 138 115 16 THR H H 9.270 0.04 1 139 115 16 THR HA H 5.320 0.04 1 140 115 16 THR HB H 4.110 0.04 1 141 115 16 THR HG2 H 1.100 0.04 1 142 115 16 THR C C 174.600 0.30 1 143 115 16 THR CA C 58.900 0.30 1 144 115 16 THR CB C 72.400 0.30 1 145 115 16 THR CG2 C 22.100 0.30 1 146 115 16 THR N N 117.430 0.40 1 147 116 17 TYR H H 8.660 0.04 1 148 116 17 TYR HA H 5.860 0.04 1 149 116 17 TYR HB2 H 2.330 0.04 2 150 116 17 TYR HB3 H 2.960 0.04 2 151 116 17 TYR HD2 H 6.890 0.04 1 152 116 17 TYR HE2 H 6.850 0.04 1 153 116 17 TYR C C 171.900 0.30 1 154 116 17 TYR CA C 55.190 0.30 1 155 116 17 TYR CB C 43.640 0.30 1 156 116 17 TYR CD2 C 129.600 0.30 1 157 116 17 TYR CE2 C 116.200 0.30 1 158 116 17 TYR N N 117.440 0.40 1 159 117 18 ARG H H 8.360 0.04 1 160 117 18 ARG HA H 4.700 0.04 1 161 117 18 ARG HB3 H 1.770 0.04 2 162 117 18 ARG HG2 H 1.530 0.04 2 163 117 18 ARG HD3 H 3.030 0.04 2 164 117 18 ARG C C 174.200 0.30 1 165 117 18 ARG CA C 54.740 0.30 1 166 117 18 ARG CB C 35.790 0.30 1 167 117 18 ARG CG C 27.000 0.30 1 168 117 18 ARG CD C 43.900 0.30 1 169 117 18 ARG N N 119.030 0.40 1 170 118 19 ILE H H 9.180 0.04 1 171 118 19 ILE HA H 4.340 0.04 1 172 118 19 ILE HB H 2.170 0.04 1 173 118 19 ILE HG12 H 1.570 0.04 2 174 118 19 ILE HG13 H 1.760 0.04 2 175 118 19 ILE HG2 H 0.990 0.04 1 176 118 19 ILE HD1 H 0.870 0.04 1 177 118 19 ILE C C 175.200 0.30 1 178 118 19 ILE CA C 61.550 0.30 1 179 118 19 ILE CB C 37.120 0.30 1 180 118 19 ILE CG1 C 28.000 0.30 1 181 118 19 ILE CG2 C 16.900 0.30 1 182 118 19 ILE N N 127.200 0.40 1 183 119 20 ASN H H 9.690 0.04 1 184 119 20 ASN HA H 4.340 0.04 1 185 119 20 ASN HB2 H 2.530 0.04 2 186 119 20 ASN HB3 H 3.090 0.04 2 187 119 20 ASN HD21 H 7.600 0.04 2 188 119 20 ASN HD22 H 6.990 0.04 2 189 119 20 ASN C C 173.900 0.30 1 190 119 20 ASN CA C 56.530 0.30 1 191 119 20 ASN CB C 41.990 0.30 1 192 119 20 ASN N N 128.510 0.40 1 193 119 20 ASN ND2 N 111.400 0.40 1 194 120 21 ASN H H 7.820 0.04 1 195 120 21 ASN HA H 4.670 0.04 1 196 120 21 ASN HB2 H 3.080 0.04 2 197 120 21 ASN HB3 H 2.940 0.04 2 198 120 21 ASN HD21 H 7.540 0.04 2 199 120 21 ASN HD22 H 7.050 0.04 2 200 120 21 ASN C C 169.800 0.30 1 201 120 21 ASN CA C 52.080 0.30 1 202 120 21 ASN CB C 39.030 0.30 1 203 120 21 ASN N N 113.290 0.40 1 204 120 21 ASN ND2 N 114.200 0.40 1 205 121 22 TYR H H 8.580 0.04 1 206 121 22 TYR HA H 4.110 0.04 1 207 121 22 TYR HB2 H 2.600 0.04 2 208 121 22 TYR HB3 H 2.850 0.04 2 209 121 22 TYR HD2 H 6.950 0.04 1 210 121 22 TYR HE2 H 6.850 0.04 1 211 121 22 TYR C C 176.300 0.30 1 212 121 22 TYR CA C 58.650 0.30 1 213 121 22 TYR CB C 41.170 0.30 1 214 121 22 TYR CD2 C 131.200 0.30 1 215 121 22 TYR CE2 C 115.900 0.30 1 216 121 22 TYR N N 114.590 0.40 1 217 123 24 PRO HA H 4.640 0.04 1 218 123 24 PRO HB2 H 2.110 0.04 2 219 123 24 PRO HB3 H 2.250 0.04 2 220 123 24 PRO HG2 H 1.930 0.04 2 221 123 24 PRO HG3 H 2.070 0.04 2 222 123 24 PRO HD2 H 3.590 0.04 2 223 123 24 PRO HD3 H 3.420 0.04 2 224 123 24 PRO CA C 63.000 0.30 1 225 123 24 PRO CB C 32.000 0.30 1 226 123 24 PRO CG C 27.300 0.30 1 227 123 24 PRO CD C 49.900 0.30 1 228 124 25 ASP H H 8.830 0.04 1 229 124 25 ASP HA H 4.100 0.04 1 230 124 25 ASP HB2 H 2.550 0.04 2 231 124 25 ASP HB3 H 2.760 0.04 2 232 124 25 ASP C C 175.900 0.30 1 233 124 25 ASP CA C 56.180 0.30 1 234 124 25 ASP CB C 41.800 0.30 1 235 124 25 ASP N N 121.860 0.40 1 236 125 26 MET H H 6.970 0.04 1 237 125 26 MET HA H 4.620 0.04 1 238 125 26 MET HB2 H 1.770 0.04 2 239 125 26 MET HB3 H 2.090 0.04 2 240 125 26 MET HG2 H 2.270 0.04 2 241 125 26 MET HE H 1.400 0.04 1 242 125 26 MET C C 174.900 0.30 1 243 125 26 MET CA C 53.650 0.30 1 244 125 26 MET CB C 39.350 0.30 1 245 125 26 MET CG C 31.900 0.30 1 246 125 26 MET CE C 20.800 0.30 1 247 125 26 MET N N 113.330 0.40 1 248 126 27 ASN H H 8.930 0.04 1 249 126 27 ASN HA H 4.610 0.04 1 250 126 27 ASN HB2 H 2.860 0.04 2 251 126 27 ASN HB3 H 2.620 0.04 2 252 126 27 ASN HD21 H 7.470 0.04 2 253 126 27 ASN HD22 H 6.840 0.04 2 254 126 27 ASN C C 177.300 0.30 1 255 126 27 ASN CA C 53.500 0.30 1 256 126 27 ASN CB C 38.650 0.30 1 257 126 27 ASN N N 118.800 0.40 1 258 126 27 ASN ND2 N 112.100 0.40 1 259 127 28 ARG H H 8.980 0.04 1 260 127 28 ARG HA H 4.760 0.04 1 261 127 28 ARG HB2 H 1.360 0.04 2 262 127 28 ARG HB3 H 1.460 0.04 2 263 127 28 ARG HG3 H 1.000 0.04 2 264 127 28 ARG HD3 H 3.760 0.04 2 265 127 28 ARG C C 178.000 0.30 1 266 127 28 ARG CA C 60.530 0.30 1 267 127 28 ARG CB C 30.250 0.30 1 268 127 28 ARG CG C 26.600 0.30 1 269 127 28 ARG CD C 43.600 0.30 1 270 127 28 ARG N N 126.020 0.40 1 271 128 29 GLU H H 9.090 0.04 1 272 128 29 GLU HA H 4.130 0.04 1 273 128 29 GLU HB2 H 1.940 0.04 2 274 128 29 GLU HB3 H 2.000 0.04 2 275 128 29 GLU HG3 H 2.330 0.04 2 276 128 29 GLU C C 179.400 0.30 1 277 128 29 GLU CA C 59.700 0.30 1 278 128 29 GLU CB C 28.800 0.30 1 279 128 29 GLU CG C 36.300 0.30 1 280 128 29 GLU N N 116.400 0.40 1 281 129 30 ASP H H 7.500 0.04 1 282 129 30 ASP HA H 4.660 0.04 1 283 129 30 ASP HB2 H 2.860 0.04 2 284 129 30 ASP HB3 H 2.630 0.04 2 285 129 30 ASP C C 179.200 0.30 1 286 129 30 ASP CA C 57.230 0.30 1 287 129 30 ASP CB C 41.800 0.30 1 288 129 30 ASP N N 119.790 0.40 1 289 130 31 VAL H H 7.790 0.04 1 290 130 31 VAL HA H 4.130 0.04 1 291 130 31 VAL HB H 2.320 0.04 1 292 130 31 VAL HG1 H 0.990 0.04 2 293 130 31 VAL HG2 H 0.800 0.04 2 294 130 31 VAL C C 177.400 0.30 1 295 130 31 VAL CA C 66.960 0.30 1 296 130 31 VAL CB C 31.450 0.30 1 297 130 31 VAL CG1 C 24.100 0.30 1 298 130 31 VAL CG2 C 21.500 0.30 1 299 130 31 VAL N N 123.990 0.40 1 300 131 32 ASP H H 8.420 0.04 1 301 131 32 ASP HA H 4.360 0.04 1 302 131 32 ASP HB2 H 2.630 0.04 2 303 131 32 ASP HB3 H 2.820 0.04 2 304 131 32 ASP C C 179.700 0.30 1 305 131 32 ASP CA C 58.080 0.30 1 306 131 32 ASP CB C 40.600 0.30 1 307 131 32 ASP N N 118.590 0.40 1 308 132 33 TYR H H 8.230 0.04 1 309 132 33 TYR HA H 4.200 0.04 1 310 132 33 TYR HB2 H 3.310 0.04 2 311 132 33 TYR HB3 H 3.120 0.04 2 312 132 33 TYR HD2 H 6.970 0.04 1 313 132 33 TYR HE2 H 6.730 0.04 1 314 132 33 TYR C C 176.300 0.30 1 315 132 33 TYR CA C 61.720 0.30 1 316 132 33 TYR CB C 38.860 0.30 1 317 132 33 TYR CD2 C 131.100 0.30 1 318 132 33 TYR CE2 C 116.120 0.30 1 319 132 33 TYR N N 119.720 0.40 1 320 133 34 ALA H H 8.080 0.04 1 321 133 34 ALA HA H 3.920 0.04 1 322 133 34 ALA HB H 1.500 0.04 1 323 133 34 ALA C C 179.400 0.30 1 324 133 34 ALA CA C 55.720 0.30 1 325 133 34 ALA CB C 18.800 0.30 1 326 133 34 ALA N N 121.470 0.40 1 327 134 35 ILE H H 8.090 0.04 1 328 134 35 ILE HA H 3.530 0.04 1 329 134 35 ILE HB H 2.170 0.04 1 330 134 35 ILE HG12 H 1.500 0.04 2 331 134 35 ILE HG13 H 1.640 0.04 2 332 134 35 ILE HG2 H 0.780 0.04 1 333 134 35 ILE HD1 H 0.320 0.04 1 334 134 35 ILE C C 177.300 0.30 1 335 134 35 ILE CA C 62.220 0.30 1 336 134 35 ILE CB C 35.740 0.30 1 337 134 35 ILE CG1 C 27.600 0.30 1 338 134 35 ILE CG2 C 19.100 0.30 1 339 134 35 ILE N N 114.080 0.40 1 340 135 36 ARG H H 8.290 0.04 1 341 135 36 ARG HA H 4.130 0.04 1 342 135 36 ARG HB2 H 2.060 0.04 2 343 135 36 ARG HB3 H 1.780 0.04 2 344 135 36 ARG HG2 H 1.520 0.04 2 345 135 36 ARG HG3 H 1.620 0.04 2 346 135 36 ARG HD3 H 3.330 0.04 2 347 135 36 ARG C C 179.800 0.30 1 348 135 36 ARG CA C 60.310 0.30 1 349 135 36 ARG CB C 30.540 0.30 1 350 135 36 ARG CG C 27.200 0.30 1 351 135 36 ARG CD C 44.100 0.30 1 352 135 36 ARG N N 119.830 0.40 1 353 136 37 LYS H H 8.550 0.04 1 354 136 37 LYS HA H 3.910 0.04 1 355 136 37 LYS HB2 H 2.510 0.04 2 356 136 37 LYS HB3 H 2.270 0.04 2 357 136 37 LYS HG2 H 1.290 0.04 2 358 136 37 LYS HD3 H 1.540 0.04 2 359 136 37 LYS HE2 H 2.920 0.04 2 360 136 37 LYS C C 178.700 0.30 1 361 136 37 LYS CA C 58.400 0.30 1 362 136 37 LYS CB C 31.560 0.30 1 363 136 37 LYS CG C 24.700 0.30 1 364 136 37 LYS CD C 28.100 0.30 1 365 136 37 LYS CE C 41.800 0.30 1 366 136 37 LYS N N 119.290 0.40 1 367 137 38 ALA H H 8.000 0.04 1 368 137 38 ALA HA H 3.920 0.04 1 369 137 38 ALA HB H 1.100 0.04 1 370 137 38 ALA C C 178.600 0.30 1 371 137 38 ALA CA C 55.650 0.30 1 372 137 38 ALA CB C 19.000 0.30 1 373 137 38 ALA N N 123.200 0.40 1 374 138 39 PHE H H 7.720 0.04 1 375 138 39 PHE HA H 3.750 0.04 1 376 138 39 PHE HB2 H 2.270 0.04 2 377 138 39 PHE HB3 H 2.580 0.04 2 378 138 39 PHE HD2 H 5.600 0.04 1 379 138 39 PHE HE2 H 5.900 0.04 1 380 138 39 PHE HZ H 6.400 0.04 1 381 138 39 PHE C C 178.700 0.30 1 382 138 39 PHE CA C 63.890 0.30 1 383 138 39 PHE CB C 38.670 0.30 1 384 138 39 PHE CD2 C 129.200 0.30 1 385 138 39 PHE CE2 C 127.800 0.30 1 386 138 39 PHE CZ C 124.000 0.30 1 387 138 39 PHE N N 113.900 0.40 1 388 139 40 GLN H H 8.110 0.04 1 389 139 40 GLN HA H 4.190 0.04 1 390 139 40 GLN HB2 H 2.280 0.04 2 391 139 40 GLN HB3 H 2.070 0.04 2 392 139 40 GLN HG2 H 2.580 0.04 2 393 139 40 GLN HG3 H 2.460 0.04 2 394 139 40 GLN HE21 H 6.920 0.04 2 395 139 40 GLN HE22 H 7.620 0.04 2 396 139 40 GLN C C 177.900 0.30 1 397 139 40 GLN CA C 58.540 0.30 1 398 139 40 GLN CB C 28.820 0.30 1 399 139 40 GLN CG C 34.100 0.30 1 400 139 40 GLN N N 119.100 0.40 1 401 139 40 GLN NE2 N 112.600 0.40 1 402 140 41 VAL H H 7.700 0.04 1 403 140 41 VAL HA H 3.630 0.04 1 404 140 41 VAL HB H 2.060 0.04 1 405 140 41 VAL HG1 H 1.120 0.04 2 406 140 41 VAL HG2 H 0.470 0.04 2 407 140 41 VAL C C 178.200 0.30 1 408 140 41 VAL CA C 66.070 0.30 1 409 140 41 VAL CB C 31.300 0.30 1 410 140 41 VAL CG1 C 21.700 0.30 1 411 140 41 VAL CG2 C 23.100 0.30 1 412 140 41 VAL N N 117.170 0.40 1 413 141 42 TRP H H 6.730 0.04 1 414 141 42 TRP HA H 4.370 0.04 1 415 141 42 TRP HB2 H 3.070 0.04 2 416 141 42 TRP HB3 H 3.190 0.04 2 417 141 42 TRP HD1 H 7.360 0.04 1 418 141 42 TRP HE1 H 9.920 0.04 1 419 141 42 TRP HE3 H 6.70 0.04 1 420 141 42 TRP HZ2 H 6.950 0.04 1 421 141 42 TRP HZ3 H 6.870 0.04 1 422 141 42 TRP HH2 H 6.380 0.04 1 423 141 42 TRP C C 180.700 0.30 1 424 141 42 TRP CA C 58.590 0.30 1 425 141 42 TRP CB C 30.420 0.30 1 426 141 42 TRP CD1 C 120.700 0.30 1 427 141 42 TRP CE3 C 119.00 0.30 1 428 141 42 TRP CZ2 C 114.200 0.30 1 429 141 42 TRP CZ3 C 126.00 0.30 1 430 141 42 TRP CH2 C 128.00 0.30 1 431 141 42 TRP N N 116.910 0.40 1 432 141 42 TRP NE1 N 127.600 0.40 1 433 142 43 SER H H 9.080 0.04 1 434 142 43 SER HA H 4.370 0.04 1 435 142 43 SER HB2 H 4.190 0.04 2 436 142 43 SER C C 175.700 0.30 1 437 142 43 SER CA C 61.490 0.30 1 438 142 43 SER CB C 63.720 0.30 1 439 142 43 SER N N 118.490 0.40 1 440 143 44 ASN H H 7.970 0.04 1 441 143 44 ASN HA H 4.730 0.04 1 442 143 44 ASN HB2 H 2.840 0.04 2 443 143 44 ASN HB3 H 2.990 0.04 2 444 143 44 ASN HD21 H 7.960 0.04 2 445 143 44 ASN HD22 H 6.910 0.04 2 446 143 44 ASN C C 176.700 0.30 1 447 143 44 ASN CA C 55.040 0.30 1 448 143 44 ASN CB C 39.210 0.30 1 449 143 44 ASN N N 115.220 0.40 1 450 143 44 ASN ND2 N 114.400 0.40 1 451 144 45 VAL H H 7.170 0.04 1 452 144 45 VAL HA H 4.860 0.04 1 453 144 45 VAL HB H 2.680 0.04 1 454 144 45 VAL HG1 H 1.160 0.04 2 455 144 45 VAL HG2 H 0.940 0.04 2 456 144 45 VAL C C 174.600 0.30 1 457 144 45 VAL CA C 60.440 0.30 1 458 144 45 VAL CB C 32.940 0.30 1 459 144 45 VAL CG1 C 19.200 0.30 1 460 144 45 VAL CG2 C 21.700 0.30 1 461 144 45 VAL N N 106.340 0.40 1 462 145 46 THR H H 7.490 0.04 1 463 145 46 THR HA H 4.370 0.04 1 464 145 46 THR HB H 4.010 0.04 1 465 145 46 THR HG2 H 1.450 0.04 1 466 145 46 THR C C 173.400 0.30 1 467 145 46 THR CA C 59.760 0.30 1 468 145 46 THR CB C 72.630 0.30 1 469 145 46 THR N N 110.440 0.40 1 470 146 47 PRO HA H 4.370 0.04 1 471 146 47 PRO HB3 H 2.740 0.04 2 472 146 47 PRO HG2 H 2.100 0.04 2 473 146 47 PRO HG3 H 1.970 0.04 2 474 146 47 PRO HD2 H 3.310 0.04 2 475 146 47 PRO HD3 H 3.710 0.04 2 476 146 47 PRO C C 176.100 0.30 1 477 146 47 PRO CA C 62.370 0.30 1 478 146 47 PRO CB C 31.100 0.30 1 479 146 47 PRO CG C 26.800 0.30 1 480 146 47 PRO CD C 50.700 0.30 1 481 147 48 LEU H H 7.010 0.04 1 482 147 48 LEU HA H 4.140 0.04 1 483 147 48 LEU HB2 H 1.330 0.04 2 484 147 48 LEU HB3 H 1.440 0.04 2 485 147 48 LEU HG H 1.100 0.04 1 486 147 48 LEU HD1 H 0.470 0.04 2 487 147 48 LEU HD2 H 0.270 0.04 2 488 147 48 LEU C C 176.300 0.30 1 489 147 48 LEU CA C 54.930 0.30 1 490 147 48 LEU CB C 43.230 0.30 1 491 147 48 LEU CG C 27.400 0.30 1 492 147 48 LEU CD1 C 22.000 0.30 1 493 147 48 LEU CD2 C 25.200 0.30 1 494 147 48 LEU N N 116.360 0.40 1 495 148 49 LYS H H 8.250 0.04 1 496 148 49 LYS HA H 4.270 0.04 1 497 148 49 LYS HB2 H 1.620 0.04 2 498 148 49 LYS HG2 H 1.270 0.04 2 499 148 49 LYS HD2 H 1.390 0.04 2 500 148 49 LYS HE2 H 3.310 0.04 2 501 148 49 LYS C C 175.500 0.30 1 502 148 49 LYS CA C 54.300 0.30 1 503 148 49 LYS CB C 35.400 0.30 1 504 148 49 LYS CG C 24.700 0.30 1 505 148 49 LYS CD C 28.900 0.30 1 506 148 49 LYS CE C 42.500 0.30 1 507 148 49 LYS N N 122.800 0.40 1 508 149 50 PHE H H 8.240 0.04 1 509 149 50 PHE HA H 5.700 0.04 1 510 149 50 PHE HB2 H 2.210 0.04 2 511 149 50 PHE HB3 H 2.530 0.04 2 512 149 50 PHE HD1 H 7.160 0.04 1 513 149 50 PHE HE1 H 7.040 0.04 1 514 149 50 PHE HZ H 6.800 0.04 1 515 149 50 PHE C C 176.600 0.30 1 516 149 50 PHE CA C 55.700 0.30 1 517 149 50 PHE CB C 42.070 0.30 1 518 149 50 PHE CD1 C 131.400 0.30 1 519 149 50 PHE CE1 C 130.300 0.30 1 520 149 50 PHE CZ C 126.600 0.30 1 521 149 50 PHE N N 119.370 0.40 1 522 150 51 SER H H 8.100 0.04 1 523 150 51 SER HA H 4.620 0.04 1 524 150 51 SER HB2 H 3.430 0.04 2 525 150 51 SER HB3 H 3.540 0.04 2 526 150 51 SER C C 171.100 0.30 1 527 150 51 SER CA C 56.870 0.30 1 528 150 51 SER CB C 65.800 0.30 1 529 150 51 SER N N 116.770 0.40 1 530 151 52 LYS H H 8.150 0.04 1 531 151 52 LYS HA H 4.590 0.04 1 532 151 52 LYS HB2 H 1.420 0.04 2 533 151 52 LYS HB3 H 1.510 0.04 2 534 151 52 LYS HG2 H 1.120 0.04 2 535 151 52 LYS HD3 H 1.780 0.04 2 536 151 52 LYS HE2 H 3.040 0.04 2 537 151 52 LYS C C 176.600 0.30 1 538 151 52 LYS CA C 55.500 0.30 1 539 151 52 LYS CB C 33.440 0.30 1 540 151 52 LYS CG C 25.000 0.30 1 541 151 52 LYS CD C 30.100 0.30 1 542 151 52 LYS CE C 40.500 0.30 1 543 151 52 LYS N N 127.660 0.40 1 544 152 53 ILE H H 8.750 0.04 1 545 152 53 ILE HA H 4.640 0.04 1 546 152 53 ILE HB H 1.930 0.04 1 547 152 53 ILE HG12 H 1.120 0.04 2 548 152 53 ILE HG13 H 1.630 0.04 2 549 152 53 ILE HG2 H 0.920 0.04 1 550 152 53 ILE HD1 H 0.800 0.04 1 551 152 53 ILE C C 175.400 0.30 1 552 152 53 ILE CA C 59.030 0.30 1 553 152 53 ILE CB C 38.300 0.30 1 554 152 53 ILE CG1 C 32.700 0.30 1 555 152 53 ILE CG2 C 17.300 0.30 1 556 152 53 ILE N N 123.710 0.40 1 557 153 54 ASN H H 8.840 0.04 1 558 153 54 ASN HA H 4.100 0.04 1 559 153 54 ASN HB2 H 2.720 0.04 2 560 153 54 ASN HB3 H 2.910 0.04 2 561 153 54 ASN HD21 H 7.930 0.04 2 562 153 54 ASN HD22 H 6.670 0.04 2 563 153 54 ASN C C 175.100 0.30 1 564 153 54 ASN CA C 53.850 0.30 1 565 153 54 ASN CB C 40.200 0.30 1 566 153 54 ASN N N 119.440 0.40 1 567 153 54 ASN ND2 N 110.000 0.40 1 568 154 55 THR H H 7.480 0.04 1 569 154 55 THR HA H 4.750 0.04 1 570 154 55 THR HB H 4.400 0.04 1 571 154 55 THR HG2 H 1.110 0.04 1 572 154 55 THR C C 172.600 0.30 1 573 154 55 THR CA C 60.430 0.30 1 574 154 55 THR CB C 70.900 0.30 1 575 154 55 THR CG2 C 20.800 0.30 1 576 154 55 THR N N 111.660 0.40 1 577 155 56 GLY H H 8.300 0.04 1 578 155 56 GLY HA2 H 3.750 0.04 2 579 155 56 GLY HA3 H 4.150 0.04 2 580 155 56 GLY C C 175.600 0.30 1 581 155 56 GLY CA C 44.210 0.30 1 582 155 56 GLY N N 109.870 0.40 1 583 156 57 MET H H 8.280 0.04 1 584 156 57 MET HA H 4.440 0.04 1 585 156 57 MET HB2 H 1.920 0.04 2 586 156 57 MET HB3 H 2.090 0.04 2 587 156 57 MET HG2 H 2.530 0.04 2 588 156 57 MET HE H 1.970 0.04 1 589 156 57 MET C C 175.000 0.30 1 590 156 57 MET CA C 55.300 0.30 1 591 156 57 MET CB C 31.700 0.30 1 592 156 57 MET CG C 30.200 0.30 1 593 156 57 MET CE C 20.800 0.30 1 594 156 57 MET N N 119.190 0.40 1 595 157 58 ALA H H 7.950 0.04 1 596 157 58 ALA HA H 4.550 0.04 1 597 157 58 ALA HB H 0.960 0.04 1 598 157 58 ALA C C 176.500 0.30 1 599 157 58 ALA CA C 50.080 0.30 1 600 157 58 ALA CB C 22.600 0.30 1 601 157 58 ALA N N 127.230 0.40 1 602 158 59 ASP H H 8.110 0.04 1 603 158 59 ASP HA H 4.540 0.04 1 604 158 59 ASP HB3 H 3.070 0.04 2 605 158 59 ASP C C 177.100 0.30 1 606 158 59 ASP CA C 58.070 0.30 1 607 158 59 ASP CB C 41.700 0.30 1 608 158 59 ASP N N 121.540 0.40 1 609 159 60 ILE H H 8.870 0.04 1 610 159 60 ILE HA H 4.220 0.04 1 611 159 60 ILE HB H 2.300 0.04 1 612 159 60 ILE HG12 H 1.870 0.04 2 613 159 60 ILE HG13 H 1.460 0.04 2 614 159 60 ILE HG2 H 1.140 0.04 1 615 159 60 ILE HD1 H 0.960 0.04 1 616 159 60 ILE C C 173.200 0.30 1 617 159 60 ILE CA C 61.830 0.30 1 618 159 60 ILE CB C 37.800 0.30 1 619 159 60 ILE CG2 C 19.200 0.30 1 620 159 60 ILE CD1 C 13.300 0.30 1 621 159 60 ILE N N 124.130 0.40 1 622 160 61 LEU H H 7.690 0.04 1 623 160 61 LEU HA H 5.080 0.04 1 624 160 61 LEU HB2 H 1.720 0.04 2 625 160 61 LEU HG H 1.460 0.04 1 626 160 61 LEU HD1 H 0.990 0.04 2 627 160 61 LEU HD2 H 1.140 0.04 2 628 160 61 LEU C C 175.700 0.30 1 629 160 61 LEU CA C 53.540 0.30 1 630 160 61 LEU CB C 43.600 0.30 1 631 160 61 LEU CG C 24.900 0.30 1 632 160 61 LEU CD1 C 24.200 0.30 1 633 160 61 LEU CD2 C 20.300 0.30 1 634 160 61 LEU N N 130.080 0.40 1 635 161 62 VAL H H 8.790 0.04 1 636 161 62 VAL HA H 5.220 0.04 1 637 161 62 VAL HB H 2.180 0.04 1 638 161 62 VAL HG1 H 0.880 0.04 2 639 161 62 VAL HG2 H 0.750 0.04 2 640 161 62 VAL C C 175.200 0.30 1 641 161 62 VAL CA C 61.830 0.30 1 642 161 62 VAL CB C 30.600 0.30 1 643 161 62 VAL CG1 C 20.300 0.30 1 644 161 62 VAL CG2 C 20.500 0.30 1 645 161 62 VAL N N 125.500 0.40 1 646 162 63 VAL H H 8.630 0.04 1 647 162 63 VAL HA H 4.570 0.04 1 648 162 63 VAL HB H 1.720 0.04 1 649 162 63 VAL HG1 H 0.870 0.04 2 650 162 63 VAL HG2 H 0.730 0.04 2 651 162 63 VAL C C 174.800 0.30 1 652 162 63 VAL CA C 60.720 0.30 1 653 162 63 VAL CB C 37.880 0.30 1 654 162 63 VAL CG1 C 20.900 0.30 1 655 162 63 VAL CG2 C 20.900 0.30 1 656 162 63 VAL N N 126.840 0.40 1 657 163 64 PHE H H 8.580 0.04 1 658 163 64 PHE HA H 5.370 0.04 1 659 163 64 PHE HB2 H 3.050 0.04 2 660 163 64 PHE HB3 H 2.740 0.04 2 661 163 64 PHE HD1 H 6.970 0.04 1 662 163 64 PHE HE1 H 6.500 0.04 1 663 163 64 PHE HZ H 6.060 0.04 1 664 163 64 PHE C C 176.100 0.30 1 665 163 64 PHE CA C 57.220 0.30 1 666 163 64 PHE CB C 41.030 0.30 1 667 163 64 PHE CD1 C 131.500 0.30 1 668 163 64 PHE CE1 C 129.500 0.30 1 669 163 64 PHE CZ C 127.200 0.30 1 670 163 64 PHE N N 125.680 0.40 1 671 164 65 ALA H H 9.110 0.04 1 672 164 65 ALA HA H 4.830 0.04 1 673 164 65 ALA HB H 0.910 0.04 1 674 164 65 ALA C C 174.800 0.30 1 675 164 65 ALA CA C 51.390 0.30 1 676 164 65 ALA CB C 22.900 0.30 1 677 164 65 ALA N N 126.020 0.40 1 678 165 66 ARG H H 8.840 0.04 1 679 165 66 ARG HA H 5.260 0.04 1 680 165 66 ARG HB3 H 1.920 0.04 2 681 165 66 ARG HG2 H 1.630 0.04 2 682 165 66 ARG HD3 H 3.090 0.04 2 683 165 66 ARG C C 175.700 0.30 1 684 165 66 ARG CA C 54.200 0.30 1 685 165 66 ARG CB C 34.170 0.30 1 686 165 66 ARG CG C 26.100 0.30 1 687 165 66 ARG CD C 43.400 0.30 1 688 165 66 ARG N N 118.190 0.40 1 689 166 67 GLY H H 9.530 0.04 1 690 166 67 GLY HA2 H 3.910 0.04 2 691 166 67 GLY HA3 H 3.790 0.04 2 692 166 67 GLY C C 175.500 0.30 1 693 166 67 GLY CA C 46.660 0.30 1 694 166 67 GLY N N 108.410 0.40 1 695 167 68 ALA H H 9.210 0.04 1 696 167 68 ALA HA H 4.760 0.04 1 697 167 68 ALA HB H 1.470 0.04 1 698 167 68 ALA CA C 53.340 0.30 1 699 167 68 ALA CB C 18.200 0.30 1 700 167 68 ALA N N 134.120 0.40 1 701 168 69 HIS H H 9.330 0.04 1 702 168 69 HIS HA H 4.760 0.04 1 703 168 69 HIS HB2 H 3.170 0.04 2 704 168 69 HIS HB3 H 3.440 0.04 2 705 168 69 HIS HD2 H 6.400 0.04 1 706 168 69 HIS HE1 H 6.820 0.04 1 707 168 69 HIS CD2 C 124.000 0.30 1 708 168 69 HIS CE1 C 137.600 0.30 1 709 168 69 HIS N N 120.790 0.40 1 710 169 70 GLY H H 8.600 0.04 1 711 169 70 GLY HA2 H 3.690 0.04 2 712 169 70 GLY HA3 H 3.330 0.04 2 713 169 70 GLY CA C 45.210 0.30 1 714 169 70 GLY N N 106.010 0.40 1 715 170 71 ASP H H 8.150 0.04 1 716 170 71 ASP HA H 4.250 0.04 1 717 170 71 ASP HB2 H 2.93 0.04 2 718 170 71 ASP HB3 H 3.07 0.04 2 719 170 71 ASP C C 176.300 0.30 1 720 170 71 ASP CA C 54.690 0.30 1 721 170 71 ASP CB C 42.800 0.30 1 722 170 71 ASP N N 120.950 0.40 1 723 171 72 PHE H H 8.220 0.04 1 724 171 72 PHE HA H 4.170 0.04 1 725 171 72 PHE HB2 H 2.940 0.04 2 726 171 72 PHE HB3 H 2.810 0.04 2 727 171 72 PHE HD2 H 7.030 0.04 1 728 171 72 PHE HE2 H 7.300 0.04 1 729 171 72 PHE HZ H 7.260 0.04 1 730 171 72 PHE C C 176.300 0.30 1 731 171 72 PHE CA C 54.730 0.30 1 732 171 72 PHE CB C 36.230 0.30 1 733 171 72 PHE CD2 C 130.100 0.30 1 734 171 72 PHE CE2 C 129.500 0.30 1 735 171 72 PHE CZ C 128.000 0.30 1 736 171 72 PHE N N 122.630 0.40 1 737 172 73 HIS H H 8.220 0.04 1 738 172 73 HIS HA H 4.634 0.04 1 739 172 73 HIS HB2 H 3.060 0.04 2 740 172 73 HIS HB3 H 3.470 0.04 2 741 172 73 HIS HD2 H 7.550 0.04 1 742 172 73 HIS HE1 H 8.410 0.04 1 743 172 73 HIS C C 174.700 0.30 1 744 172 73 HIS CA C 53.950 0.30 1 745 172 73 HIS CB C 26.900 0.30 1 746 172 73 HIS CD2 C 118.900 0.30 1 747 172 73 HIS CE1 C 135.000 0.30 1 748 172 73 HIS N N 122.000 0.40 1 749 173 74 ALA H H 8.300 0.04 1 750 173 74 ALA HA H 3.934 0.04 1 751 173 74 ALA HB H 1.372 0.04 1 752 173 74 ALA CA C 58.066 0.30 1 753 173 74 ALA CB C 18.600 0.30 1 754 173 74 ALA N N 123.300 0.40 1 755 174 75 PHE H H 8.270 0.04 1 756 174 75 PHE HA H 4.222 0.04 1 757 174 75 PHE HB2 H 3.05 0.04 2 758 174 75 PHE HB3 H 2.92 0.04 2 759 174 75 PHE HD2 H 7.310 0.04 1 760 174 75 PHE HE2 H 7.220 0.04 1 761 174 75 PHE HZ H 7.020 0.04 1 762 174 75 PHE C C 176.200 0.30 1 763 174 75 PHE CA C 57.430 0.30 1 764 174 75 PHE CB C 38.660 0.30 1 765 174 75 PHE CD2 C 129.500 0.30 1 766 174 75 PHE CE2 C 129.500 0.30 1 767 174 75 PHE CZ C 127.700 0.30 1 768 174 75 PHE N N 121.320 0.40 1 769 175 76 ASP H H 8.250 0.04 1 770 175 76 ASP HA H 4.880 0.04 1 771 175 76 ASP HB2 H 3.150 0.04 2 772 175 76 ASP HB3 H 3.04 0.04 2 773 175 76 ASP C C 177.300 0.30 1 774 175 76 ASP CA C 54.040 0.30 1 775 175 76 ASP CB C 41.700 0.30 1 776 175 76 ASP N N 116.500 0.40 1 777 176 77 GLY H H 8.800 0.04 1 778 176 77 GLY HA2 H 4.450 0.04 2 779 176 77 GLY HA3 H 4.290 0.04 2 780 176 77 GLY CA C 43.670 0.30 1 781 176 77 GLY N N 110.060 0.40 1 782 177 78 LYS H H 8.750 0.04 1 783 177 78 LYS HA H 3.460 0.04 1 784 177 78 LYS HB2 H 1.630 0.04 2 785 177 78 LYS HG3 H 1.330 0.04 2 786 177 78 LYS HD3 H 1.730 0.04 2 787 177 78 LYS HE2 H 2.540 0.04 2 788 177 78 LYS C C 177.900 0.30 1 789 177 78 LYS CA C 58.530 0.30 1 790 177 78 LYS CB C 32.280 0.30 1 791 177 78 LYS CG C 24.800 0.30 1 792 177 78 LYS CD C 29.300 0.30 1 793 177 78 LYS CE C 42.300 0.30 1 794 177 78 LYS N N 124.290 0.40 1 795 178 79 GLY H H 10.980 0.04 1 796 178 79 GLY HA2 H 4.210 0.04 2 797 178 79 GLY HA3 H 3.560 0.04 2 798 178 79 GLY C C 174.400 0.30 1 799 178 79 GLY CA C 43.010 0.30 1 800 178 79 GLY N N 121.280 0.40 1 801 179 80 GLY H H 8.540 0.04 1 802 179 80 GLY HA2 H 3.470 0.04 2 803 179 80 GLY HA3 H 4.080 0.04 2 804 179 80 GLY CA C 46.750 0.30 1 805 179 80 GLY N N 110.400 0.40 1 806 180 81 ILE H H 10.790 0.04 1 807 180 81 ILE HA H 3.934 0.04 1 808 180 81 ILE HB H 2.070 0.04 1 809 180 81 ILE HG12 H 1.320 0.04 2 810 180 81 ILE HG13 H 1.720 0.04 2 811 180 81 ILE HG2 H 1.200 0.04 1 812 180 81 ILE HD1 H 0.970 0.04 1 813 180 81 ILE CA C 62.350 0.30 1 814 180 81 ILE CB C 33.400 0.30 1 815 180 81 ILE CG1 C 25.000 0.30 1 816 180 81 ILE CG2 C 20.800 0.30 1 817 180 81 ILE CD1 C 17.500 0.30 1 818 180 81 ILE N N 132.140 0.40 1 819 181 82 LEU H H 8.310 0.04 1 820 181 82 LEU HA H 5.030 0.04 1 821 181 82 LEU C C 176.600 0.30 1 822 181 82 LEU CA C 52.400 0.30 1 823 181 82 LEU CB C 43.000 0.30 1 824 181 82 LEU CG C 26.900 0.30 1 825 181 82 LEU CD1 C 19.300 0.30 1 826 181 82 LEU CD2 C 22.000 0.30 1 827 181 82 LEU N N 126.600 0.40 1 828 182 83 ALA H H 8.370 0.04 1 829 182 83 ALA HA H 3.730 0.04 1 830 182 83 ALA HB H 1.500 0.04 1 831 182 83 ALA CA C 54.000 0.30 1 832 182 83 ALA CB C 17.900 0.30 1 833 182 83 ALA N N 120.930 0.40 1 834 183 84 HIS H H 8.860 0.04 1 835 183 84 HIS HA H 3.970 0.04 1 836 183 84 HIS HB2 H 3.220 0.04 2 837 183 84 HIS HB3 H 3.460 0.04 2 838 183 84 HIS HD2 H 7.130 0.04 1 839 183 84 HIS HE1 H 7.830 0.04 1 840 183 84 HIS C C 174.800 0.30 1 841 183 84 HIS CA C 55.300 0.30 1 842 183 84 HIS CB C 30.000 0.30 1 843 183 84 HIS CD2 C 120.000 0.30 1 844 183 84 HIS CE1 C 136.000 0.30 1 845 183 84 HIS N N 115.900 0.40 1 846 184 85 ALA H H 9.080 0.04 1 847 184 85 ALA HA H 4.140 0.04 1 848 184 85 ALA HB H 1.400 0.04 1 849 184 85 ALA CA C 52.150 0.30 1 850 184 85 ALA CB C 21.800 0.30 1 851 184 85 ALA N N 121.080 0.40 1 852 185 86 PHE H H 11.780 0.04 1 853 185 86 PHE HA H 4.690 0.04 1 854 185 86 PHE HB2 H 3.300 0.04 2 855 185 86 PHE HB3 H 3.570 0.04 2 856 185 86 PHE C C 180.500 0.30 1 857 185 86 PHE CA C 59.400 0.30 1 858 185 86 PHE CB C 37.000 0.30 1 859 185 86 PHE N N 135.900 0.40 1 860 186 87 GLY H H 8.320 0.04 1 861 186 87 GLY HA2 H 4.110 0.04 2 862 186 87 GLY HA3 H 4.210 0.04 2 863 186 87 GLY CA C 48.000 0.30 1 864 186 87 GLY N N 108.200 0.40 1 865 187 88 PRO CA C 63.870 0.30 1 866 187 88 PRO CB C 27.000 0.30 1 867 187 88 PRO CG C 29.100 0.30 1 868 188 89 GLY H H 5.750 0.04 1 869 188 89 GLY HA2 H 3.920 0.04 2 870 188 89 GLY HA3 H 3.520 0.04 2 871 188 89 GLY C C 179.400 0.30 1 872 188 89 GLY CA C 44.200 0.30 1 873 188 89 GLY N N 109.990 0.40 1 874 189 90 SER H H 8.090 0.04 1 875 189 90 SER HA H 4.360 0.04 1 876 189 90 SER HB2 H 4.190 0.04 2 877 189 90 SER HB3 H 3.990 0.04 2 878 189 90 SER CA C 58.850 0.30 1 879 189 90 SER CB C 64.600 0.30 1 880 189 90 SER N N 114.650 0.40 1 881 190 91 GLY H H 9.240 0.04 1 882 190 91 GLY HA3 H 3.800 0.04 2 883 190 91 GLY CA C 47.350 0.30 1 884 190 91 GLY N N 111.350 0.40 1 885 191 92 ILE H H 9.040 0.04 1 886 191 92 ILE HA H 4.020 0.04 1 887 191 92 ILE HB H 2.120 0.04 1 888 191 92 ILE HG13 H 1.460 0.04 2 889 191 92 ILE HG2 H 0.510 0.04 1 890 191 92 ILE HD1 H 0.460 0.04 1 891 191 92 ILE CA C 62.340 0.30 1 892 191 92 ILE CB C 38.000 0.30 1 893 191 92 ILE CG1 C 27.500 0.30 1 894 191 92 ILE CG2 C 22.600 0.30 1 895 191 92 ILE CD1 C 16.500 0.30 1 896 191 92 ILE N N 133.470 0.40 1 897 192 93 GLY H H 7.810 0.04 1 898 192 93 GLY HA3 H 3.800 0.04 2 899 192 93 GLY CA C 46.100 0.30 1 900 192 93 GLY N N 105.280 0.40 1 901 193 94 GLY H H 8.130 0.04 1 902 193 94 GLY HA2 H 3.900 0.04 2 903 193 94 GLY HA3 H 4.290 0.04 2 904 193 94 GLY CA C 46.400 0.30 1 905 193 94 GLY N N 115.850 0.40 1 906 194 95 ASP H H 8.280 0.04 1 907 194 95 ASP HA H 4.312 0.04 1 908 194 95 ASP HB2 H 2.990 0.04 2 909 194 95 ASP C C 175.000 0.30 1 910 194 95 ASP CA C 56.580 0.30 1 911 194 95 ASP CB C 39.500 0.30 1 912 194 95 ASP N N 122.470 0.40 1 913 195 96 ALA H H 8.630 0.04 1 914 195 96 ALA HA H 4.770 0.04 1 915 195 96 ALA HB H 1.040 0.04 1 916 195 96 ALA CA C 51.100 0.30 1 917 195 96 ALA N N 119.890 0.40 1 918 196 97 HIS H H 9.000 0.04 1 919 196 97 HIS HA H 4.810 0.04 1 920 196 97 HIS HB2 H 2.530 0.04 2 921 196 97 HIS HB3 H 3.360 0.04 2 922 196 97 HIS HD2 H 6.520 0.04 1 923 196 97 HIS HE1 H 8.460 0.04 1 924 196 97 HIS C C 172.900 0.30 1 925 196 97 HIS CA C 50.500 0.30 1 926 196 97 HIS CB C 34.100 0.30 1 927 196 97 HIS CD2 C 122.100 0.30 1 928 196 97 HIS CE1 C 140.300 0.30 1 929 196 97 HIS N N 120.880 0.40 1 930 197 98 PHE H H 9.140 0.04 1 931 197 98 PHE HA H 4.320 0.04 1 932 197 98 PHE HB2 H 1.720 0.04 2 933 197 98 PHE HB3 H 2.250 0.04 2 934 197 98 PHE HD2 H 6.250 0.04 1 935 197 98 PHE HE2 H 6.510 0.04 1 936 197 98 PHE HZ H 6.380 0.04 1 937 197 98 PHE C C 174.200 0.30 1 938 197 98 PHE CA C 57.040 0.30 1 939 197 98 PHE CB C 41.480 0.30 1 940 197 98 PHE CD2 C 129.800 0.30 1 941 197 98 PHE CE2 C 126.600 0.30 1 942 197 98 PHE CZ C 123.700 0.30 1 943 197 98 PHE N N 122.750 0.40 1 944 198 99 ASP H H 8.040 0.04 1 945 198 99 ASP HA H 4.340 0.04 1 946 198 99 ASP HB2 H 3.120 0.04 2 947 198 99 ASP HB3 H 3.470 0.04 2 948 198 99 ASP C C 179.400 0.30 1 949 198 99 ASP CA C 54.260 0.30 1 950 198 99 ASP CB C 40.500 0.30 1 951 198 99 ASP N N 122.570 0.40 1 952 199 100 GLU H H 9.560 0.04 1 953 199 100 GLU HA H 4.490 0.04 1 954 199 100 GLU HB3 H 1.740 0.04 2 955 199 100 GLU HG2 H 2.050 0.04 2 956 199 100 GLU C C 176.600 0.30 1 957 199 100 GLU CA C 56.380 0.30 1 958 199 100 GLU CB C 31.800 0.30 1 959 199 100 GLU CG C 36.400 0.30 1 960 199 100 GLU N N 130.440 0.40 1 961 200 101 ASP H H 9.080 0.04 1 962 200 101 ASP HA H 4.810 0.04 1 963 200 101 ASP HB2 H 2.690 0.04 2 964 200 101 ASP HB3 H 2.560 0.04 2 965 200 101 ASP C C 177.300 0.30 1 966 200 101 ASP CA C 56.910 0.30 1 967 200 101 ASP CB C 39.600 0.30 1 968 200 101 ASP N N 119.500 0.40 1 969 201 102 GLU H H 7.390 0.04 1 970 201 102 GLU HA H 4.470 0.04 1 971 201 102 GLU HB2 H 1.650 0.04 2 972 201 102 GLU HB3 H 1.770 0.04 2 973 201 102 GLU HG3 H 1.940 0.04 2 974 201 102 GLU C C 175.100 0.30 1 975 201 102 GLU CA C 54.020 0.30 1 976 201 102 GLU CB C 27.100 0.30 1 977 201 102 GLU CG C 35.700 0.30 1 978 201 102 GLU N N 116.700 0.40 1 979 202 103 PHE H H 8.440 0.04 1 980 202 103 PHE HA H 4.930 0.04 1 981 202 103 PHE HB2 H 2.700 0.04 2 982 202 103 PHE HB3 H 2.860 0.04 2 983 202 103 PHE HD1 H 7.080 0.04 1 984 202 103 PHE HE1 H 7.310 0.04 1 985 202 103 PHE HZ H 6.900 0.04 1 986 202 103 PHE C C 172.800 0.30 1 987 202 103 PHE CA C 55.620 0.30 1 988 202 103 PHE CB C 38.900 0.30 1 989 202 103 PHE CD1 C 129.300 0.30 1 990 202 103 PHE CE1 C 128.000 0.30 1 991 202 103 PHE CZ C 127.500 0.30 1 992 202 103 PHE N N 126.330 0.40 1 993 203 104 TRP H H 9.240 0.04 1 994 203 104 TRP HA H 5.000 0.04 1 995 203 104 TRP HB2 H 2.570 0.04 2 996 203 104 TRP HB3 H 3.220 0.04 2 997 203 104 TRP HD1 H 7.380 0.04 1 998 203 104 TRP HE1 H 10.200 0.04 1 999 203 104 TRP HE3 H 7.350 0.04 1 1000 203 104 TRP HZ2 H 7.130 0.04 1 1001 203 104 TRP HZ3 H 7.230 0.04 1 1002 203 104 TRP HH2 H 7.500 0.04 1 1003 203 104 TRP C C 176.800 0.30 1 1004 203 104 TRP CA C 56.690 0.30 1 1005 203 104 TRP CB C 31.000 0.30 1 1006 203 104 TRP CD1 C 126.100 0.30 1 1007 203 104 TRP CE3 C 116.000 0.30 1 1008 203 104 TRP CZ2 C 112.000 0.30 1 1009 203 104 TRP CZ3 C 125.000 0.30 1 1010 203 104 TRP CH2 C 122.500 0.30 1 1011 203 104 TRP N N 131.500 0.40 1 1012 203 104 TRP NE1 N 127.200 0.40 1 1013 204 105 THR H H 8.300 0.04 1 1014 204 105 THR HA H 4.400 0.04 1 1015 204 105 THR HB H 4.150 0.04 1 1016 204 105 THR HG2 H 1.110 0.04 1 1017 204 105 THR C C 176.100 0.30 1 1018 204 105 THR CA C 59.990 0.30 1 1019 204 105 THR CB C 70.680 0.30 1 1020 204 105 THR CG2 C 20.800 0.30 1 1021 204 105 THR N N 109.610 0.40 1 1022 205 106 THR H H 8.330 0.04 1 1023 205 106 THR HA H 4.600 0.04 1 1024 205 106 THR HB H 4.380 0.04 1 1025 205 106 THR HG2 H 1.340 0.04 1 1026 205 106 THR C C 175.600 0.30 1 1027 205 106 THR CA C 62.400 0.30 1 1028 205 106 THR CB C 69.400 0.30 1 1029 205 106 THR CG2 C 22.500 0.30 1 1030 205 106 THR N N 109.830 0.40 1 1031 206 107 HIS H H 8.000 0.04 1 1032 206 107 HIS HA H 4.320 0.04 1 1033 206 107 HIS HB2 H 3.110 0.04 2 1034 206 107 HIS HB3 H 3.470 0.04 2 1035 206 107 HIS HD2 H 7.170 0.04 1 1036 206 107 HIS HE1 H 7.820 0.04 1 1037 206 107 HIS C C 174.200 0.30 1 1038 206 107 HIS CA C 55.530 0.30 1 1039 206 107 HIS CB C 31.600 0.30 1 1040 206 107 HIS CD2 C 117.800 0.30 1 1041 206 107 HIS CE1 C 137.300 0.30 1 1042 206 107 HIS N N 122.640 0.40 1 1043 207 108 SER H H 7.990 0.04 1 1044 207 108 SER HA H 4.170 0.04 1 1045 207 108 SER HB2 H 3.42 0.04 2 1046 207 108 SER HB3 H 3.50 0.04 2 1047 207 108 SER C C 176.000 0.30 1 1048 207 108 SER CA C 58.800 0.30 1 1049 207 108 SER CB C 64.600 0.30 1 1050 207 108 SER N N 114.390 0.40 1 1051 208 109 GLY H H 9.020 0.04 1 1052 208 109 GLY HA2 H 3.740 0.04 2 1053 208 109 GLY HA3 H 3.960 0.04 2 1054 208 109 GLY CA C 45.300 0.30 1 1055 208 109 GLY N N 112.330 0.40 1 1056 209 110 GLY H H 8.000 0.04 1 1057 209 110 GLY HA2 H 4.150 0.04 2 1058 209 110 GLY HA3 H 3.840 0.04 2 1059 209 110 GLY C C 174.000 0.30 1 1060 209 110 GLY CA C 46.400 0.30 1 1061 209 110 GLY N N 108.040 0.40 1 1062 210 111 THR H H 9.170 0.04 1 1063 210 111 THR HA H 4.000 0.04 1 1064 210 111 THR HB H 3.790 0.04 1 1065 210 111 THR HG2 H 0.560 0.04 1 1066 210 111 THR C C 172.700 0.30 1 1067 210 111 THR CA C 62.690 0.30 1 1068 210 111 THR CB C 69.420 0.30 1 1069 210 111 THR CG2 C 21.000 0.30 1 1070 210 111 THR N N 124.630 0.40 1 1071 211 112 ASN H H 8.410 0.04 1 1072 211 112 ASN HA H 4.774 0.04 1 1073 211 112 ASN HB2 H 3.170 0.04 2 1074 211 112 ASN HB3 H 3.100 0.04 2 1075 211 112 ASN HD21 H 7.990 0.04 2 1076 211 112 ASN HD22 H 6.370 0.04 2 1077 211 112 ASN C C 176.700 0.30 1 1078 211 112 ASN CA C 55.880 0.30 1 1079 211 112 ASN CB C 41.860 0.30 1 1080 211 112 ASN N N 125.650 0.40 1 1081 211 112 ASN ND2 N 110.800 0.40 1 1082 212 113 LEU H H 8.700 0.04 1 1083 212 113 LEU HA H 4.400 0.04 1 1084 212 113 LEU HB2 H 1.590 0.04 2 1085 212 113 LEU HB3 H 1.860 0.04 2 1086 212 113 LEU HG H 1.490 0.04 1 1087 212 113 LEU HD1 H 0.800 0.04 2 1088 212 113 LEU HD2 H 1.070 0.04 2 1089 212 113 LEU C C 176.500 0.30 1 1090 212 113 LEU CA C 58.840 0.30 1 1091 212 113 LEU CB C 41.120 0.30 1 1092 212 113 LEU CG C 27.900 0.30 1 1093 212 113 LEU CD1 C 17.600 0.30 1 1094 212 113 LEU CD2 C 18.100 0.30 1 1095 212 113 LEU N N 132.060 0.40 1 1096 213 114 PHE H H 9.370 0.04 1 1097 213 114 PHE HA H 3.940 0.04 1 1098 213 114 PHE HB2 H 3.430 0.04 2 1099 213 114 PHE HB3 H 3.180 0.04 2 1100 213 114 PHE HD2 H 7.200 0.04 1 1101 213 114 PHE HE2 H 6.870 0.04 1 1102 213 114 PHE HZ H 6.500 0.04 1 1103 213 114 PHE C C 175.900 0.30 1 1104 213 114 PHE CA C 61.710 0.30 1 1105 213 114 PHE CB C 37.900 0.30 1 1106 213 114 PHE CD2 C 130.200 0.30 1 1107 213 114 PHE CE2 C 129.300 0.30 1 1108 213 114 PHE CZ C 128.900 0.30 1 1109 213 114 PHE N N 120.810 0.40 1 1110 214 115 LEU H H 9.090 0.04 1 1111 214 115 LEU HA H 4.360 0.04 1 1112 214 115 LEU HB2 H 1.520 0.04 2 1113 214 115 LEU HB3 H 1.820 0.04 2 1114 214 115 LEU HG H 1.080 0.04 1 1115 214 115 LEU HD1 H 0.450 0.04 2 1116 214 115 LEU HD2 H 0.810 0.04 2 1117 214 115 LEU C C 180.400 0.30 1 1118 214 115 LEU CA C 57.900 0.30 1 1119 214 115 LEU CB C 43.010 0.30 1 1120 214 115 LEU CG C 33.000 0.30 1 1121 214 115 LEU CD1 C 26.500 0.30 1 1122 214 115 LEU CD2 C 19.600 0.30 1 1123 214 115 LEU N N 118.040 0.40 1 1124 215 116 THR H H 7.660 0.04 1 1125 215 116 THR HA H 4.400 0.04 1 1126 215 116 THR HB H 4.080 0.04 1 1127 215 116 THR HG2 H 1.490 0.04 1 1128 215 116 THR C C 176.600 0.30 1 1129 215 116 THR CA C 67.030 0.30 1 1130 215 116 THR CB C 68.200 0.30 1 1131 215 116 THR CG2 C 21.500 0.30 1 1132 215 116 THR N N 115.530 0.40 1 1133 216 117 ALA H H 9.440 0.04 1 1134 216 117 ALA HA H 4.040 0.04 1 1135 216 117 ALA HB H 1.080 0.04 1 1136 216 117 ALA C C 178.400 0.30 1 1137 216 117 ALA CA C 55.580 0.30 1 1138 216 117 ALA CB C 17.300 0.30 1 1139 216 117 ALA N N 125.450 0.40 1 1140 217 118 VAL H H 8.560 0.04 1 1141 217 118 VAL HA H 4.580 0.04 1 1142 217 118 VAL HB H 1.560 0.04 1 1143 217 118 VAL HG1 H 0.980 0.04 2 1144 217 118 VAL HG2 H 1.110 0.04 2 1145 217 118 VAL CA C 68.030 0.30 1 1146 217 118 VAL CB C 31.200 0.30 1 1147 217 118 VAL CG1 C 23.100 0.30 1 1148 217 118 VAL CG2 C 23.600 0.30 1 1149 217 118 VAL N N 118.600 0.40 1 1150 218 119 HIS H H 6.880 0.04 1 1151 218 119 HIS HA H 4.280 0.04 1 1152 218 119 HIS HB2 H 3.390 0.04 2 1153 218 119 HIS HB3 H 3.070 0.04 2 1154 218 119 HIS HD2 H 7.060 0.04 1 1155 218 119 HIS HE1 H 7.770 0.04 1 1156 218 119 HIS C C 175.900 0.30 1 1157 218 119 HIS CA C 58.560 0.30 1 1158 218 119 HIS CB C 31.000 0.30 1 1159 218 119 HIS CD2 C 118.100 0.30 1 1160 218 119 HIS CE1 C 135.700 0.30 1 1161 218 119 HIS N N 116.930 0.40 1 1162 220 121 ILE H H 8.920 0.04 1 1163 220 121 ILE HA H 3.550 0.04 1 1164 220 121 ILE HB H 2.350 0.04 1 1165 220 121 ILE HG12 H 1.450 0.04 2 1166 220 121 ILE HG13 H 1.120 0.04 2 1167 220 121 ILE HD1 H 1.040 0.04 1 1168 220 121 ILE C C 177.200 0.30 1 1169 220 121 ILE CA C 63.440 0.30 1 1170 220 121 ILE CB C 37.800 0.30 1 1171 220 121 ILE CG1 C 27.100 0.30 1 1172 220 121 ILE CG2 C 17.600 0.30 1 1173 220 121 ILE CD1 C 13.900 0.30 1 1174 220 121 ILE N N 115.890 0.40 1 1175 221 122 GLY H H 7.490 0.04 1 1176 221 122 GLY HA2 H 3.690 0.04 2 1177 221 122 GLY HA3 H 3.600 0.04 2 1178 221 122 GLY CA C 47.950 0.30 1 1179 221 122 GLY N N 108.560 0.40 1 1180 222 123 HIS H H 6.990 0.04 1 1181 222 123 HIS HA H 4.280 0.04 1 1182 222 123 HIS HB2 H 3.880 0.04 1 1183 222 123 HIS HB3 H 3.880 0.04 1 1184 222 123 HIS HD2 H 7.400 0.04 1 1185 222 123 HIS HE1 H 7.770 0.04 1 1186 222 123 HIS CA C 56.410 0.30 1 1187 222 123 HIS CB C 30.400 0.30 1 1188 222 123 HIS CD2 C 125.000 0.30 1 1189 222 123 HIS CE1 C 134.700 0.30 1 1190 222 123 HIS N N 118.500 0.40 1 1191 223 124 SER H H 8.460 0.04 1 1192 223 124 SER HA H 4.310 0.04 1 1193 223 124 SER HB3 H 4.050 0.04 2 1194 223 124 SER C C 175.800 0.30 1 1195 223 124 SER CA C 56.330 0.30 1 1196 223 124 SER CB C 62.360 0.30 1 1197 223 124 SER N N 122.000 0.40 1 1198 224 125 LEU H H 7.800 0.04 1 1199 224 125 LEU HA H 4.530 0.04 1 1200 224 125 LEU HB3 H 2.800 0.04 2 1201 224 125 LEU HG H 2.660 0.04 1 1202 224 125 LEU HD2 H 1.390 0.04 2 1203 224 125 LEU CA C 52.900 0.30 1 1204 224 125 LEU CB C 41.000 0.30 1 1205 224 125 LEU CG C 32.300 0.30 1 1206 224 125 LEU CD1 C 23.000 0.30 1 1207 224 125 LEU CD2 C 19.000 0.30 1 1208 224 125 LEU N N 114.580 0.40 1 1209 225 126 GLY H H 7.890 0.04 1 1210 225 126 GLY HA2 H 4.240 0.04 2 1211 225 126 GLY HA3 H 3.960 0.04 2 1212 225 126 GLY C C 176.600 0.30 1 1213 225 126 GLY CA C 46.300 0.30 1 1214 225 126 GLY N N 119.510 0.40 1 1215 226 127 LEU H H 8.130 0.04 1 1216 226 127 LEU HA H 3.960 0.04 1 1217 226 127 LEU HB2 H 2.660 0.04 2 1218 226 127 LEU HG H 1.800 0.04 1 1219 226 127 LEU HD1 H 1.500 0.04 2 1220 226 127 LEU CA C 54.000 0.30 1 1221 226 127 LEU CB C 41.800 0.30 1 1222 226 127 LEU CG C 33.000 0.30 1 1223 226 127 LEU CD1 C 31.000 0.30 1 1224 226 127 LEU N N 120.940 0.40 1 1225 227 128 GLY H H 8.830 0.04 1 1226 227 128 GLY HA2 H 3.600 0.04 2 1227 227 128 GLY HA3 H 3.500 0.04 2 1228 227 128 GLY CA C 43.700 0.30 1 1229 227 128 GLY N N 110.080 0.40 1 1230 228 129 HIS H H 8.540 0.04 1 1231 228 129 HIS HA H 5.220 0.04 1 1232 228 129 HIS HB2 H 3.210 0.04 2 1233 228 129 HIS HB3 H 3.050 0.04 2 1234 228 129 HIS HD2 H 6.650 0.04 1 1235 228 129 HIS HE1 H 8.290 0.04 1 1236 228 129 HIS CA C 56.340 0.30 1 1237 228 129 HIS CB C 30.000 0.30 1 1238 228 129 HIS CD2 C 122.500 0.30 1 1239 228 129 HIS CE1 C 139.000 0.30 1 1240 228 129 HIS N N 115.580 0.40 1 1241 229 130 SER H H 7.120 0.04 1 1242 229 130 SER HA H 4.750 0.04 1 1243 229 130 SER HB3 H 4.220 0.04 2 1244 229 130 SER C C 175.600 0.30 1 1245 229 130 SER CA C 55.580 0.30 1 1246 229 130 SER CB C 65.100 0.30 1 1247 229 130 SER N N 114.530 0.40 1 1248 230 131 SER H H 8.870 0.04 1 1249 230 131 SER HA H 4.760 0.04 1 1250 230 131 SER HB2 H 4.090 0.04 2 1251 230 131 SER HB3 H 3.980 0.04 2 1252 230 131 SER C C 173.500 0.30 1 1253 230 131 SER CA C 58.740 0.30 1 1254 230 131 SER CB C 64.220 0.30 1 1255 230 131 SER N N 120.140 0.40 1 1256 231 132 ASP H H 8.940 0.04 1 1257 231 132 ASP HA H 4.840 0.04 1 1258 231 132 ASP HB2 H 3.040 0.04 2 1259 231 132 ASP HB3 H 3.220 0.04 2 1260 231 132 ASP C C 174.900 0.30 1 1261 231 132 ASP CA C 51.430 0.30 1 1262 231 132 ASP CB C 42.500 0.30 1 1263 231 132 ASP N N 126.560 0.40 1 1264 232 133 PRO HA H 4.850 0.04 1 1265 232 133 PRO HB3 H 2.140 0.04 2 1266 232 133 PRO HD2 H 3.800 0.04 2 1267 232 133 PRO HD3 H 3.93 0.04 2 1268 232 133 PRO C C 177.800 0.30 1 1269 232 133 PRO CA C 63.200 0.30 1 1270 232 133 PRO CB C 32.000 0.30 1 1271 232 133 PRO CG C 27.400 0.30 1 1272 232 133 PRO CD C 50.70 0.30 1 1273 233 134 LYS H H 8.310 0.04 1 1274 233 134 LYS HA H 4.130 0.04 1 1275 233 134 LYS HB2 H 1.66 0.04 2 1276 233 134 LYS HB3 H 1.77 0.04 2 1277 233 134 LYS HG3 H 1.360 0.04 2 1278 233 134 LYS HD3 H 1.500 0.04 2 1279 233 134 LYS HE2 H 3.030 0.04 2 1280 233 134 LYS C C 176.800 0.30 1 1281 233 134 LYS CA C 56.440 0.30 1 1282 233 134 LYS CB C 28.700 0.30 1 1283 233 134 LYS CG C 24.200 0.30 1 1284 233 134 LYS CD C 31.900 0.30 1 1285 233 134 LYS CE C 41.100 0.30 1 1286 233 134 LYS N N 116.890 0.40 1 1287 234 135 ALA H H 8.190 0.04 1 1288 234 135 ALA HA H 4.560 0.04 1 1289 234 135 ALA HB H 1.800 0.04 1 1290 234 135 ALA C C 179.500 0.30 1 1291 234 135 ALA CA C 52.080 0.30 1 1292 234 135 ALA CB C 20.000 0.30 1 1293 234 135 ALA N N 123.950 0.40 1 1294 235 136 VAL H H 11.380 0.04 1 1295 235 136 VAL HA H 4.250 0.04 1 1296 235 136 VAL HB H 2.330 0.04 1 1297 235 136 VAL HG1 H 1.140 0.04 2 1298 235 136 VAL HG2 H 0.960 0.04 2 1299 235 136 VAL CA C 64.950 0.30 1 1300 235 136 VAL CB C 31.370 0.30 1 1301 235 136 VAL CG1 C 20.400 0.30 1 1302 235 136 VAL CG2 C 23.900 0.30 1 1303 235 136 VAL N N 131.320 0.40 1 1304 236 137 MET H H 7.910 0.04 1 1305 236 137 MET HA H 4.220 0.04 1 1306 236 137 MET HB2 H 2.040 0.04 2 1307 236 137 MET HB3 H 2.180 0.04 2 1308 236 137 MET HG3 H 2.960 0.04 2 1309 236 137 MET HE H 1.790 0.04 1 1310 236 137 MET C C 177.700 0.30 1 1311 236 137 MET CA C 53.760 0.30 1 1312 236 137 MET CB C 27.340 0.30 1 1313 236 137 MET CG C 30.500 0.30 1 1314 236 137 MET CE C 20.500 0.30 1 1315 236 137 MET N N 115.150 0.40 1 1316 237 138 PHE H H 8.010 0.04 1 1317 237 138 PHE HA H 3.860 0.04 1 1318 237 138 PHE HB2 H 3.210 0.04 2 1319 237 138 PHE HB3 H 3.030 0.04 2 1320 237 138 PHE HD1 H 7.300 0.04 1 1321 237 138 PHE HE1 H 7.360 0.04 1 1322 237 138 PHE HZ H 7.070 0.04 1 1323 237 138 PHE C C 176.800 0.30 1 1324 237 138 PHE CA C 57.840 0.30 1 1325 237 138 PHE CB C 40.250 0.30 1 1326 237 138 PHE CD1 C 129.900 0.30 1 1327 237 138 PHE CE1 C 128.900 0.30 1 1328 237 138 PHE CZ C 129.400 0.30 1 1329 237 138 PHE N N 128.350 0.40 1 1330 238 139 PRO HA H 4.330 0.04 1 1331 238 139 PRO HB3 H 2.050 0.04 2 1332 238 139 PRO HG2 H 1.560 0.04 2 1333 238 139 PRO HG3 H 1.410 0.04 2 1334 238 139 PRO HD2 H 3.510 0.04 2 1335 238 139 PRO HD3 H 3.500 0.04 2 1336 238 139 PRO C C 176.300 0.30 1 1337 238 139 PRO CA C 65.610 0.30 1 1338 238 139 PRO CB C 29.300 0.30 1 1339 238 139 PRO CG C 25.660 0.30 1 1340 238 139 PRO CD C 50.400 0.30 1 1341 239 140 THR H H 6.390 0.04 1 1342 239 140 THR HA H 4.120 0.04 1 1343 239 140 THR HB H 4.060 0.04 1 1344 239 140 THR HG2 H 1.240 0.04 1 1345 239 140 THR C C 173.500 0.30 1 1346 239 140 THR CA C 61.420 0.30 1 1347 239 140 THR CB C 69.700 0.30 1 1348 239 140 THR CG2 C 21.800 0.30 1 1349 239 140 THR N N 111.880 0.40 1 1350 240 141 TYR H H 8.410 0.04 1 1351 240 141 TYR HA H 4.280 0.04 1 1352 240 141 TYR HB2 H 3.020 0.04 2 1353 240 141 TYR HB3 H 2.760 0.04 2 1354 240 141 TYR HD2 H 7.200 0.04 1 1355 240 141 TYR HE2 H 6.980 0.04 1 1356 240 141 TYR C C 174.600 0.30 1 1357 240 141 TYR CA C 59.060 0.30 1 1358 240 141 TYR CB C 39.420 0.30 1 1359 240 141 TYR CD2 C 129.700 0.30 1 1360 240 141 TYR CE2 C 115.900 0.30 1 1361 240 141 TYR N N 127.950 0.40 1 1362 241 142 LYS H H 7.420 0.04 1 1363 241 142 LYS HA H 4.030 0.04 1 1364 241 142 LYS HB2 H 1.630 0.04 2 1365 241 142 LYS HE2 H 3.000 0.04 2 1366 241 142 LYS C C 173.700 0.30 1 1367 241 142 LYS CA C 55.360 0.30 1 1368 241 142 LYS CB C 35.010 0.30 1 1369 241 142 LYS CG C 23.900 0.30 1 1370 241 142 LYS CD C 29.300 0.30 1 1371 241 142 LYS CE C 42.400 0.30 1 1372 241 142 LYS N N 127.450 0.40 1 1373 242 143 TYR H H 8.540 0.04 1 1374 242 143 TYR HA H 3.860 0.04 1 1375 242 143 TYR HB2 H 2.740 0.04 2 1376 242 143 TYR HB3 H 3.050 0.04 2 1377 242 143 TYR HD1 H 6.990 0.04 1 1378 242 143 TYR HE1 H 6.740 0.04 1 1379 242 143 TYR C C 175.200 0.30 1 1380 242 143 TYR CA C 60.900 0.30 1 1381 242 143 TYR CB C 38.500 0.30 1 1382 242 143 TYR CD1 C 131.000 0.30 1 1383 242 143 TYR CE1 C 116.100 0.30 1 1384 242 143 TYR N N 123.250 0.40 1 1385 243 144 VAL H H 5.870 0.04 1 1386 243 144 VAL HA H 3.880 0.04 1 1387 243 144 VAL HB H 1.900 0.04 1 1388 243 144 VAL HG1 H 0.820 0.04 2 1389 243 144 VAL HG2 H 1.080 0.04 2 1390 243 144 VAL C C 172.200 0.30 1 1391 243 144 VAL CA C 59.530 0.30 1 1392 243 144 VAL CB C 35.400 0.30 1 1393 243 144 VAL CG1 C 19.500 0.30 1 1394 243 144 VAL CG2 C 21.400 0.30 1 1395 243 144 VAL N N 124.130 0.40 1 1396 244 145 ASP H H 7.850 0.04 1 1397 244 145 ASP HA H 4.280 0.04 1 1398 244 145 ASP HB2 H 2.740 0.04 2 1399 244 145 ASP HB3 H 2.720 0.04 2 1400 244 145 ASP C C 179.100 0.30 1 1401 244 145 ASP CA C 55.260 0.30 1 1402 244 145 ASP CB C 42.100 0.30 1 1403 244 145 ASP N N 118.510 0.40 1 1404 245 146 ILE H H 7.770 0.04 1 1405 245 146 ILE HA H 3.840 0.04 1 1406 245 146 ILE HB H 1.960 0.04 1 1407 245 146 ILE HG2 H 1.280 0.04 1 1408 245 146 ILE HD1 H 0.800 0.04 1 1409 245 146 ILE C C 177.400 0.30 1 1410 245 146 ILE CA C 64.650 0.30 1 1411 245 146 ILE CB C 37.900 0.30 1 1412 245 146 ILE CG1 C 27.000 0.30 1 1413 245 146 ILE CG2 C 18.200 0.30 1 1414 245 146 ILE CD1 C 14.000 0.30 1 1415 245 146 ILE N N 124.230 0.40 1 1416 246 147 ASN H H 8.590 0.04 1 1417 246 147 ASN HA H 4.580 0.04 1 1418 246 147 ASN HB2 H 2.840 0.04 2 1419 246 147 ASN HB3 H 2.980 0.04 2 1420 246 147 ASN HD21 H 7.050 0.04 2 1421 246 147 ASN HD22 H 7.950 0.04 2 1422 246 147 ASN C C 176.500 0.30 1 1423 246 147 ASN CA C 55.600 0.30 1 1424 246 147 ASN CB C 38.420 0.30 1 1425 246 147 ASN N N 118.560 0.40 1 1426 246 147 ASN ND2 N 115.000 0.40 1 1427 247 148 THR H H 7.540 0.04 1 1428 247 148 THR HA H 4.400 0.04 1 1429 247 148 THR HB H 3.830 0.04 1 1430 247 148 THR HG2 H 1.140 0.04 1 1431 247 148 THR C C 173.900 0.30 1 1432 247 148 THR CA C 60.950 0.30 1 1433 247 148 THR CB C 69.270 0.30 1 1434 247 148 THR CG2 C 21.500 0.30 1 1435 247 148 THR N N 108.860 0.40 1 1436 248 149 PHE H H 7.190 0.04 1 1437 248 149 PHE HA H 4.154 0.04 1 1438 248 149 PHE HB2 H 2.850 0.04 2 1439 248 149 PHE HB3 H 3.110 0.04 2 1440 248 149 PHE HD1 H 7.320 0.04 1 1441 248 149 PHE HE1 H 7.040 0.04 1 1442 248 149 PHE HZ H 6.970 0.04 1 1443 248 149 PHE C C 174.600 0.30 1 1444 248 149 PHE CA C 60.000 0.30 1 1445 248 149 PHE CB C 40.030 0.30 1 1446 248 149 PHE CD1 C 132.000 0.30 1 1447 248 149 PHE CE1 C 131.500 0.30 1 1448 248 149 PHE CZ C 131.100 0.30 1 1449 248 149 PHE N N 123.200 0.40 1 1450 249 150 ARG H H 7.180 0.04 1 1451 249 150 ARG HA H 4.130 0.04 1 1452 249 150 ARG HB2 H 1.660 0.04 2 1453 249 150 ARG HG2 H 1.460 0.04 2 1454 249 150 ARG HD2 H 3.090 0.04 2 1455 249 150 ARG C C 174.600 0.30 1 1456 249 150 ARG CA C 54.340 0.30 1 1457 249 150 ARG CB C 33.510 0.30 1 1458 249 150 ARG CG C 26.200 0.30 1 1459 249 150 ARG CD C 43.500 0.30 1 1460 249 150 ARG N N 126.250 0.40 1 1461 250 151 LEU H H 8.180 0.04 1 1462 250 151 LEU HA H 3.920 0.04 1 1463 250 151 LEU HB2 H 1.460 0.04 2 1464 250 151 LEU HB3 H 1.300 0.04 2 1465 250 151 LEU HG H 1.670 0.04 1 1466 250 151 LEU HD1 H 0.330 0.04 2 1467 250 151 LEU HD2 H 0.110 0.04 2 1468 250 151 LEU C C 177.000 0.30 1 1469 250 151 LEU CA C 54.970 0.30 1 1470 250 151 LEU CB C 43.100 0.30 1 1471 250 151 LEU CG C 26.900 0.30 1 1472 250 151 LEU CD1 C 22.500 0.30 1 1473 250 151 LEU N N 120.940 0.40 1 1474 251 152 SER H H 9.000 0.04 1 1475 251 152 SER HA H 4.200 0.04 1 1476 251 152 SER HB2 H 3.880 0.04 2 1477 251 152 SER C C 175.100 0.30 1 1478 251 152 SER CA C 57.830 0.30 1 1479 251 152 SER CB C 65.800 0.30 1 1480 251 152 SER N N 118.210 0.40 1 1481 252 153 ALA H H 8.860 0.04 1 1482 252 153 ALA HA H 4.540 0.04 1 1483 252 153 ALA HB H 1.500 0.04 1 1484 252 153 ALA C C 180.300 0.30 1 1485 252 153 ALA CA C 55.710 0.30 1 1486 252 153 ALA CB C 18.200 0.30 1 1487 252 153 ALA N N 123.680 0.40 1 1488 253 154 ASP H H 8.300 0.04 1 1489 253 154 ASP HA H 4.380 0.04 1 1490 253 154 ASP HB2 H 2.510 0.04 2 1491 253 154 ASP HB3 H 2.860 0.04 2 1492 253 154 ASP C C 178.600 0.30 1 1493 253 154 ASP CA C 58.360 0.30 1 1494 253 154 ASP CB C 43.800 0.30 1 1495 253 154 ASP N N 117.490 0.40 1 1496 254 155 ASP H H 7.430 0.04 1 1497 254 155 ASP HA H 4.760 0.04 1 1498 254 155 ASP HB2 H 2.790 0.04 2 1499 254 155 ASP HB3 H 3.090 0.04 2 1500 254 155 ASP C C 177.700 0.30 1 1501 254 155 ASP CA C 57.810 0.30 1 1502 254 155 ASP CB C 44.300 0.30 1 1503 254 155 ASP N N 118.830 0.40 1 1504 255 156 ILE H H 7.920 0.04 1 1505 255 156 ILE HA H 3.690 0.04 1 1506 255 156 ILE HB H 1.770 0.04 1 1507 255 156 ILE HG12 H 1.610 0.04 2 1508 255 156 ILE HG13 H 1.430 0.04 2 1509 255 156 ILE HG2 H 0.890 0.04 1 1510 255 156 ILE HD1 H 0.780 0.04 1 1511 255 156 ILE C C 177.600 0.30 1 1512 255 156 ILE CA C 65.520 0.30 1 1513 255 156 ILE CB C 38.490 0.30 1 1514 255 156 ILE CG1 C 27.200 0.30 1 1515 255 156 ILE CD1 C 17.000 0.30 1 1516 255 156 ILE N N 118.800 0.40 1 1517 256 157 ARG H H 8.480 0.04 1 1518 256 157 ARG HA H 4.130 0.04 1 1519 256 157 ARG HB3 H 1.960 0.04 2 1520 256 157 ARG HG3 H 1.760 0.04 2 1521 256 157 ARG HD3 H 3.260 0.04 2 1522 256 157 ARG C C 180.500 0.30 1 1523 256 157 ARG CA C 59.400 0.30 1 1524 256 157 ARG CB C 29.850 0.30 1 1525 256 157 ARG CG C 27.300 0.30 1 1526 256 157 ARG CD C 43.500 0.30 1 1527 256 157 ARG N N 119.230 0.40 1 1528 257 158 GLY H H 8.310 0.04 1 1529 257 158 GLY HA2 H 3.970 0.04 2 1530 257 158 GLY HA3 H 3.820 0.04 2 1531 257 158 GLY C C 177.000 0.30 1 1532 257 158 GLY CA C 47.400 0.30 1 1533 257 158 GLY N N 108.170 0.40 1 1534 258 159 ILE H H 8.580 0.04 1 1535 258 159 ILE HA H 4.530 0.04 1 1536 258 159 ILE HB H 2.170 0.04 1 1537 258 159 ILE HG12 H 1.590 0.04 2 1538 258 159 ILE HG2 H 0.890 0.04 1 1539 258 159 ILE HD1 H 0.720 0.04 1 1540 258 159 ILE C C 177.800 0.30 1 1541 258 159 ILE CA C 61.110 0.30 1 1542 258 159 ILE CB C 31.900 0.30 1 1543 258 159 ILE CG1 C 24.200 0.30 1 1544 258 159 ILE CG2 C 20.600 0.30 1 1545 258 159 ILE N N 123.360 0.40 1 1546 259 160 GLN H H 8.680 0.04 1 1547 259 160 GLN HA H 4.510 0.04 1 1548 259 160 GLN HB2 H 2.040 0.04 2 1549 259 160 GLN HB3 H 2.270 0.04 2 1550 259 160 GLN HG2 H 2.760 0.04 2 1551 259 160 GLN HG3 H 2.960 0.04 2 1552 259 160 GLN HE21 H 7.750 0.04 2 1553 259 160 GLN HE22 H 6.970 0.04 2 1554 259 160 GLN C C 179.300 0.30 1 1555 259 160 GLN CA C 58.780 0.30 1 1556 259 160 GLN CB C 27.000 0.30 1 1557 259 160 GLN CG C 35.000 0.30 1 1558 259 160 GLN N N 123.720 0.40 1 1559 259 160 GLN NE2 N 113.800 0.40 1 1560 260 161 SER H H 7.980 0.04 1 1561 260 161 SER HA H 4.290 0.04 1 1562 260 161 SER HB2 H 4.020 0.04 2 1563 260 161 SER HB3 H 4.120 0.04 2 1564 260 161 SER C C 175.100 0.30 1 1565 260 161 SER CA C 61.420 0.30 1 1566 260 161 SER CB C 62.850 0.30 1 1567 260 161 SER N N 115.850 0.40 1 1568 261 162 LEU H H 6.980 0.04 1 1569 261 162 LEU HA H 4.490 0.04 1 1570 261 162 LEU HB2 H 1.730 0.04 2 1571 261 162 LEU HB3 H 1.880 0.04 2 1572 261 162 LEU HG H 1.58 0.04 1 1573 261 162 LEU HD1 H 0.650 0.04 2 1574 261 162 LEU HD2 H 0.800 0.04 2 1575 261 162 LEU C C 177.600 0.30 1 1576 261 162 LEU CA C 56.690 0.30 1 1577 261 162 LEU CB C 43.460 0.30 1 1578 261 162 LEU CG C 26.00 0.30 1 1579 261 162 LEU CD1 C 19.700 0.30 1 1580 261 162 LEU CD2 C 23.000 0.30 1 1581 261 162 LEU N N 119.000 0.40 1 1582 262 163 TYR H H 7.750 0.04 1 1583 262 163 TYR HA H 4.710 0.04 1 1584 262 163 TYR HB2 H 3.110 0.04 2 1585 262 163 TYR HB3 H 2.790 0.04 2 1586 262 163 TYR HD1 H 7.310 0.04 1 1587 262 163 TYR HE1 H 6.860 0.04 1 1588 262 163 TYR C C 174.500 0.30 1 1589 262 163 TYR CA C 59.000 0.30 1 1590 262 163 TYR CB C 40.780 0.30 1 1591 262 163 TYR CD1 C 131.600 0.30 1 1592 262 163 TYR CE1 C 116.000 0.30 1 1593 262 163 TYR N N 114.630 0.40 1 1594 263 164 GLY H H 8.150 0.04 1 1595 263 164 GLY HA2 H 4.490 0.04 2 1596 263 164 GLY HA3 H 3.870 0.04 2 1597 263 164 GLY C C 174.600 0.30 1 1598 263 164 GLY CA C 47.400 0.30 1 1599 263 164 GLY N N 115.840 0.40 1 stop_ save_