data_17890 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the lectin CCL2 (free) ; _BMRB_accession_number 17890 _BMRB_flat_file_name bmr17890.str _Entry_type original _Submission_date 2011-08-29 _Accession_date 2011-08-29 _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 Schubert Mario . . 2 Walti Martin A. . 3 Egloff Pascal . . 4 Bleuler-Martinez Silvia . . 5 Aebi Markus . . 6 Allain Frederic F. . 7 Kunzler Markus . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 821 "13C chemical shifts" 605 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-04 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17902 'lectin CCL2 (+carbohydrate)' stop_ _Original_release_date 2012-06-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Plasticity of the beta-Trefoil Protein Fold in the Recognition and Control of Invertebrate Predators and Parasites by a Fungal Defence System' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22615566 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schubert Mario . . 2 Bleuler-Martinez Silvia . . 3 Butschi Alex . . 4 Walti Martin A. . 5 Egloff Pascal . . 6 Stutz Katrin . . 7 Yan Shi . . 8 Wilson Iain B.H. . 9 Hengartner Michael O. . 10 Aebi Markus . . 11 Allain Frederic H.-T. . 12 Kunzler Markus . . stop_ _Journal_abbreviation 'PLoS Pathog.' _Journal_volume 8 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1002706 _Page_last e1002706 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CCL2 (free)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CCL2 (free)' $CCL2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CCL2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CCL2 (free)' _Molecular_mass 16604.430 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; MGHHHHHHHHSGDSPAVTLS AGNYIIYNRVLSPRGEKLAL TYPGRQRTPVTVSPLDGSSE QAWILRSYDSNSNTWTISPV GSPNSQIGWGAGNVPVVLPP NNYVWTLTLTSGGYNIQDGK RTVSWSLNNATAGEEVSIGA DATFSGRWVIEKV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 HIS 4 4 HIS 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 HIS 10 10 HIS 11 11 SER 12 12 GLY 13 13 ASP 14 14 SER 15 15 PRO 16 16 ALA 17 17 VAL 18 18 THR 19 19 LEU 20 20 SER 21 21 ALA 22 22 GLY 23 23 ASN 24 24 TYR 25 25 ILE 26 26 ILE 27 27 TYR 28 28 ASN 29 29 ARG 30 30 VAL 31 31 LEU 32 32 SER 33 33 PRO 34 34 ARG 35 35 GLY 36 36 GLU 37 37 LYS 38 38 LEU 39 39 ALA 40 40 LEU 41 41 THR 42 42 TYR 43 43 PRO 44 44 GLY 45 45 ARG 46 46 GLN 47 47 ARG 48 48 THR 49 49 PRO 50 50 VAL 51 51 THR 52 52 VAL 53 53 SER 54 54 PRO 55 55 LEU 56 56 ASP 57 57 GLY 58 58 SER 59 59 SER 60 60 GLU 61 61 GLN 62 62 ALA 63 63 TRP 64 64 ILE 65 65 LEU 66 66 ARG 67 67 SER 68 68 TYR 69 69 ASP 70 70 SER 71 71 ASN 72 72 SER 73 73 ASN 74 74 THR 75 75 TRP 76 76 THR 77 77 ILE 78 78 SER 79 79 PRO 80 80 VAL 81 81 GLY 82 82 SER 83 83 PRO 84 84 ASN 85 85 SER 86 86 GLN 87 87 ILE 88 88 GLY 89 89 TRP 90 90 GLY 91 91 ALA 92 92 GLY 93 93 ASN 94 94 VAL 95 95 PRO 96 96 VAL 97 97 VAL 98 98 LEU 99 99 PRO 100 100 PRO 101 101 ASN 102 102 ASN 103 103 TYR 104 104 VAL 105 105 TRP 106 106 THR 107 107 LEU 108 108 THR 109 109 LEU 110 110 THR 111 111 SER 112 112 GLY 113 113 GLY 114 114 TYR 115 115 ASN 116 116 ILE 117 117 GLN 118 118 ASP 119 119 GLY 120 120 LYS 121 121 ARG 122 122 THR 123 123 VAL 124 124 SER 125 125 TRP 126 126 SER 127 127 LEU 128 128 ASN 129 129 ASN 130 130 ALA 131 131 THR 132 132 ALA 133 133 GLY 134 134 GLU 135 135 GLU 136 136 VAL 137 137 SER 138 138 ILE 139 139 GLY 140 140 ALA 141 141 ASP 142 142 ALA 143 143 THR 144 144 PHE 145 145 SER 146 146 GLY 147 147 ARG 148 148 TRP 149 149 VAL 150 150 ILE 151 151 GLU 152 152 LYS 153 153 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 BMRB 17902 CCL2 100.00 153 100.00 100.00 5.05e-105 PDB 2LIE "Nmr Structure Of The Lectin Ccl2" 100.00 153 100.00 100.00 5.05e-105 PDB 2LIQ "Solution Structure Of Ccl2 In Complex With Glycan" 100.00 153 100.00 100.00 5.05e-105 PDB 4USO "X-ray Structure Of The Ccl2 Lectin In Complex With Sialyl Lewis X" 100.00 153 100.00 100.00 5.05e-105 PDB 4USP "X-ray Structure Of The Dimeric Ccl2 Lectin In Native Form" 100.00 153 100.00 100.00 5.05e-105 GB ACD88750 "CCL2 lectin [Coprinopsis cinerea]" 92.16 142 100.00 100.00 2.15e-94 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CCL2 'Coprinopsis cinerea' 5346 Eukaryota Fungi Coprinopsis cinerea 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 $CCL2 'recombinant technology' . Escherichia coli . pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CCL2 1 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CCL2 1 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CCL2 1 mM '[U-100% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CCL2 1 mM '[U-100% 15N]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 5.7 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 . 'separate tube (no insert) similar to the experimental sample tube' . 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_CCL2_free _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CCL2 (free)' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HE H 2.083 0.005 1 2 1 1 MET CE C 16.872 0.029 1 3 2 2 GLY HA2 H 3.806 0.001 1 4 2 2 GLY HA3 H 3.806 0.001 1 5 2 2 GLY CA C 43.294 0.145 1 6 8 8 HIS HA H 4.622 0.009 1 7 8 8 HIS HB2 H 3.102 0.005 2 8 8 8 HIS HB3 H 3.026 0.004 2 9 8 8 HIS HD2 H 7.073 0.010 1 10 8 8 HIS HE1 H 8.227 0.013 1 11 8 8 HIS CA C 55.661 0.100 1 12 8 8 HIS CB C 29.880 0.067 1 13 8 8 HIS CD2 C 119.890 0.100 1 14 8 8 HIS CE1 C 137.298 0.100 1 15 9 9 HIS HA H 4.646 0.011 1 16 9 9 HIS HB2 H 3.108 0.010 2 17 9 9 HIS HB3 H 3.032 0.010 2 18 9 9 HIS HD2 H 7.119 0.008 1 19 9 9 HIS HE1 H 8.236 0.029 1 20 9 9 HIS CA C 55.684 0.034 1 21 9 9 HIS CB C 29.831 0.056 1 22 9 9 HIS CD2 C 119.975 0.100 1 23 9 9 HIS CE1 C 137.281 0.100 1 24 10 10 HIS H H 8.583 0.004 1 25 10 10 HIS HA H 4.680 0.012 1 26 10 10 HIS HB2 H 3.228 0.003 2 27 10 10 HIS HB3 H 3.140 0.010 2 28 10 10 HIS HD2 H 7.173 0.006 1 29 10 10 HIS HE1 H 8.276 0.024 1 30 10 10 HIS C C 174.875 0.010 1 31 10 10 HIS CA C 55.746 0.053 1 32 10 10 HIS CB C 29.889 0.068 1 33 10 10 HIS CD2 C 120.175 0.084 1 34 10 10 HIS CE1 C 137.199 0.100 1 35 10 10 HIS N N 120.811 0.014 1 36 11 11 SER H H 8.438 0.004 1 37 11 11 SER HA H 4.424 0.005 1 38 11 11 SER HB2 H 3.860 0.010 1 39 11 11 SER HB3 H 3.860 0.010 1 40 11 11 SER C C 174.962 0.100 1 41 11 11 SER CA C 58.660 0.131 1 42 11 11 SER CB C 63.822 0.161 1 43 11 11 SER N N 118.009 0.018 1 44 12 12 GLY H H 8.433 0.006 1 45 12 12 GLY HA2 H 3.990 0.006 1 46 12 12 GLY HA3 H 3.990 0.006 1 47 12 12 GLY C C 173.907 0.100 1 48 12 12 GLY CA C 45.421 0.064 1 49 12 12 GLY N N 111.011 0.017 1 50 13 13 ASP H H 8.153 0.004 1 51 13 13 ASP HA H 4.662 0.002 1 52 13 13 ASP HB2 H 2.690 0.003 2 53 13 13 ASP HB3 H 2.620 0.001 2 54 13 13 ASP C C 176.115 0.100 1 55 13 13 ASP CA C 54.303 0.081 1 56 13 13 ASP CB C 41.465 0.024 1 57 13 13 ASP N N 120.291 0.008 1 58 14 14 SER H H 8.210 0.005 1 59 14 14 SER HA H 4.754 0.006 1 60 14 14 SER HB2 H 3.870 0.006 2 61 14 14 SER HB3 H 3.822 0.004 2 62 14 14 SER CA C 56.469 0.074 1 63 14 14 SER CB C 63.553 0.124 1 64 14 14 SER N N 116.987 0.016 1 65 15 15 PRO HA H 4.442 0.006 1 66 15 15 PRO HB2 H 2.289 0.002 2 67 15 15 PRO HB3 H 1.927 0.002 2 68 15 15 PRO HG2 H 1.996 0.010 1 69 15 15 PRO HG3 H 1.996 0.010 1 70 15 15 PRO HD2 H 3.781 0.003 2 71 15 15 PRO HD3 H 3.697 0.003 2 72 15 15 PRO C C 176.424 0.100 1 73 15 15 PRO CA C 63.233 0.022 1 74 15 15 PRO CB C 32.148 0.031 1 75 15 15 PRO CG C 27.380 0.047 1 76 15 15 PRO CD C 50.722 0.071 1 77 16 16 ALA H H 8.284 0.005 1 78 16 16 ALA HA H 4.350 0.007 1 79 16 16 ALA HB H 1.387 0.002 1 80 16 16 ALA C C 177.552 0.100 1 81 16 16 ALA CA C 52.433 0.054 1 82 16 16 ALA CB C 19.319 0.074 1 83 16 16 ALA N N 124.219 0.014 1 84 17 17 VAL H H 8.046 0.005 1 85 17 17 VAL HA H 4.249 0.007 1 86 17 17 VAL HB H 2.159 0.002 1 87 17 17 VAL HG1 H 1.038 0.004 1 88 17 17 VAL HG2 H 1.020 0.002 1 89 17 17 VAL C C 176.322 0.100 1 90 17 17 VAL CA C 62.278 0.015 1 91 17 17 VAL CB C 32.957 0.031 1 92 17 17 VAL CG1 C 21.462 0.029 1 93 17 17 VAL CG2 C 20.755 0.036 1 94 17 17 VAL N N 119.504 0.020 1 95 18 18 THR H H 8.276 0.004 1 96 18 18 THR HA H 4.473 0.004 1 97 18 18 THR HB H 4.277 0.009 1 98 18 18 THR HG2 H 1.277 0.004 1 99 18 18 THR C C 174.248 0.100 1 100 18 18 THR CA C 61.565 0.067 1 101 18 18 THR CB C 70.165 0.129 1 102 18 18 THR CG2 C 21.753 0.071 1 103 18 18 THR N N 118.186 0.018 1 104 19 19 LEU H H 8.091 0.009 1 105 19 19 LEU HA H 4.293 0.005 1 106 19 19 LEU HB2 H 1.397 0.002 2 107 19 19 LEU HB3 H 0.975 0.007 2 108 19 19 LEU HG H 1.190 0.004 1 109 19 19 LEU HD1 H -0.119 0.006 1 110 19 19 LEU HD2 H -0.001 0.006 1 111 19 19 LEU C C 175.689 0.100 1 112 19 19 LEU CA C 55.427 0.101 1 113 19 19 LEU CB C 43.279 0.064 1 114 19 19 LEU CG C 26.270 0.015 1 115 19 19 LEU CD1 C 24.720 0.021 1 116 19 19 LEU CD2 C 23.539 0.019 1 117 19 19 LEU N N 125.265 0.015 1 118 20 20 SER H H 7.316 0.007 1 119 20 20 SER HA H 4.947 0.005 1 120 20 20 SER HB2 H 3.990 0.004 1 121 20 20 SER HB3 H 3.990 0.004 1 122 20 20 SER C C 174.220 0.100 1 123 20 20 SER CA C 56.583 0.100 1 124 20 20 SER CB C 65.653 0.058 1 125 20 20 SER N N 114.622 0.039 1 126 21 21 ALA H H 8.993 0.004 1 127 21 21 ALA HA H 4.668 0.007 1 128 21 21 ALA HB H 1.752 0.003 1 129 21 21 ALA C C 177.960 0.100 1 130 21 21 ALA CA C 54.010 0.127 1 131 21 21 ALA CB C 19.225 0.042 1 132 21 21 ALA N N 125.517 0.029 1 133 22 22 GLY H H 8.411 0.009 1 134 22 22 GLY HA2 H 4.229 0.010 2 135 22 22 GLY HA3 H 3.960 0.006 2 136 22 22 GLY C C 170.422 0.100 1 137 22 22 GLY CA C 45.381 0.086 1 138 22 22 GLY N N 109.543 0.022 1 139 23 23 ASN H H 8.092 0.003 1 140 23 23 ASN HA H 5.887 0.006 1 141 23 23 ASN HB2 H 2.688 0.008 2 142 23 23 ASN HB3 H 2.171 0.007 2 143 23 23 ASN HD21 H 6.379 0.005 2 144 23 23 ASN HD22 H 7.215 0.003 2 145 23 23 ASN C C 175.207 0.100 1 146 23 23 ASN CA C 51.821 0.046 1 147 23 23 ASN CB C 38.755 0.065 1 148 23 23 ASN N N 119.649 0.028 1 149 23 23 ASN ND2 N 108.755 0.059 1 150 24 24 TYR H H 9.914 0.008 1 151 24 24 TYR HA H 5.255 0.012 1 152 24 24 TYR HB2 H 2.966 0.008 2 153 24 24 TYR HB3 H 2.236 0.010 2 154 24 24 TYR HD1 H 6.831 0.008 3 155 24 24 TYR HD2 H 6.831 0.008 3 156 24 24 TYR HE1 H 6.625 0.007 3 157 24 24 TYR HE2 H 6.625 0.007 3 158 24 24 TYR C C 175.667 0.100 1 159 24 24 TYR CA C 58.113 0.080 1 160 24 24 TYR CB C 43.826 0.113 1 161 24 24 TYR CD1 C 133.933 0.029 3 162 24 24 TYR CE1 C 117.181 0.063 3 163 24 24 TYR N N 120.889 0.030 1 164 25 25 ILE H H 9.216 0.008 1 165 25 25 ILE HA H 5.086 0.008 1 166 25 25 ILE HB H 1.960 0.006 1 167 25 25 ILE HG12 H 1.734 0.004 2 168 25 25 ILE HG13 H 1.354 0.005 2 169 25 25 ILE HG2 H 1.174 0.003 1 170 25 25 ILE HD1 H 1.015 0.005 1 171 25 25 ILE C C 175.200 0.100 1 172 25 25 ILE CA C 60.545 0.043 1 173 25 25 ILE CB C 41.122 0.084 1 174 25 25 ILE CG1 C 27.100 0.083 1 175 25 25 ILE CG2 C 17.794 0.015 1 176 25 25 ILE CD1 C 14.575 0.012 1 177 25 25 ILE N N 115.978 0.020 1 178 26 26 ILE H H 9.559 0.009 1 179 26 26 ILE HA H 4.976 0.006 1 180 26 26 ILE HB H 1.422 0.003 1 181 26 26 ILE HG12 H 1.373 0.002 2 182 26 26 ILE HG13 H 0.618 0.010 2 183 26 26 ILE HG2 H 0.403 0.005 1 184 26 26 ILE HD1 H 0.133 0.005 1 185 26 26 ILE C C 174.810 0.100 1 186 26 26 ILE CA C 60.609 0.061 1 187 26 26 ILE CB C 41.122 0.084 1 188 26 26 ILE CG1 C 26.980 0.040 1 189 26 26 ILE CG2 C 16.660 0.039 1 190 26 26 ILE CD1 C 12.368 0.043 1 191 26 26 ILE N N 123.957 0.042 1 192 27 27 TYR H H 9.378 0.006 1 193 27 27 TYR HA H 6.190 0.010 1 194 27 27 TYR HB2 H 2.936 0.010 2 195 27 27 TYR HB3 H 2.559 0.012 2 196 27 27 TYR HD1 H 6.925 0.007 3 197 27 27 TYR HD2 H 6.925 0.007 3 198 27 27 TYR HE1 H 6.596 0.005 3 199 27 27 TYR HE2 H 6.596 0.005 3 200 27 27 TYR C C 173.963 0.100 1 201 27 27 TYR CA C 54.669 0.055 1 202 27 27 TYR CB C 41.698 0.117 1 203 27 27 TYR CD2 C 134.069 0.027 3 204 27 27 TYR CE2 C 117.901 0.008 3 205 27 27 TYR N N 121.371 0.015 1 206 28 28 ASN H H 8.466 0.006 1 207 28 28 ASN HA H 3.768 0.009 1 208 28 28 ASN HB2 H 2.554 0.003 2 209 28 28 ASN HB3 H 1.826 0.011 2 210 28 28 ASN HD21 H 2.664 0.011 2 211 28 28 ASN HD22 H 6.694 0.004 2 212 28 28 ASN C C 174.352 0.100 1 213 28 28 ASN CA C 55.120 0.135 1 214 28 28 ASN CB C 41.446 0.085 1 215 28 28 ASN N N 121.991 0.028 1 216 28 28 ASN ND2 N 105.530 0.047 1 217 29 29 ARG H H 7.756 0.008 1 218 29 29 ARG HA H 3.861 0.006 1 219 29 29 ARG HB2 H 1.828 0.003 2 220 29 29 ARG HB3 H 1.442 0.006 2 221 29 29 ARG HG2 H 1.564 0.002 2 222 29 29 ARG HG3 H 1.463 0.004 2 223 29 29 ARG HD2 H 3.278 0.005 2 224 29 29 ARG HD3 H 2.983 0.011 2 225 29 29 ARG HE H 6.662 0.009 1 226 29 29 ARG C C 173.635 0.100 1 227 29 29 ARG CA C 59.293 0.069 1 228 29 29 ARG CB C 30.399 0.114 1 229 29 29 ARG CG C 29.354 0.047 1 230 29 29 ARG CD C 45.133 0.027 1 231 29 29 ARG N N 121.103 0.034 1 232 29 29 ARG NE N 84.125 0.001 1 233 30 30 VAL H H 8.976 0.006 1 234 30 30 VAL HA H 3.944 0.005 1 235 30 30 VAL HB H 1.364 0.003 1 236 30 30 VAL HG1 H 0.241 0.009 1 237 30 30 VAL HG2 H 0.135 0.005 1 238 30 30 VAL C C 176.199 0.100 1 239 30 30 VAL CA C 62.577 0.102 1 240 30 30 VAL CB C 30.222 0.149 1 241 30 30 VAL CG1 C 21.455 0.019 1 242 30 30 VAL CG2 C 22.230 0.017 1 243 30 30 VAL N N 118.412 0.038 1 244 31 31 LEU H H 8.856 0.006 1 245 31 31 LEU HA H 4.485 0.010 1 246 31 31 LEU HB2 H 1.900 0.004 2 247 31 31 LEU HB3 H 1.344 0.008 2 248 31 31 LEU HD1 H 0.725 0.007 1 249 31 31 LEU HD2 H 1.098 0.007 1 250 31 31 LEU C C 179.123 0.100 1 251 31 31 LEU CA C 54.025 0.071 1 252 31 31 LEU CB C 45.581 0.240 1 253 31 31 LEU CD1 C 23.880 0.036 2 254 31 31 LEU CD2 C 27.048 0.040 2 255 31 31 LEU N N 125.418 0.032 1 256 32 32 SER H H 9.307 0.009 1 257 32 32 SER HA H 5.365 0.009 1 258 32 32 SER HB2 H 3.887 0.003 1 259 32 32 SER HB3 H 3.887 0.003 1 260 32 32 SER CA C 57.269 0.047 1 261 32 32 SER CB C 62.213 0.069 1 262 32 32 SER N N 116.890 0.025 1 263 33 33 PRO HA H 3.880 0.003 1 264 33 33 PRO HB2 H 2.260 0.012 2 265 33 33 PRO HB3 H 1.852 0.011 2 266 33 33 PRO HG2 H 2.331 0.007 2 267 33 33 PRO HG3 H 1.773 0.003 2 268 33 33 PRO HD2 H 4.364 0.011 2 269 33 33 PRO HD3 H 3.977 0.008 2 270 33 33 PRO C C 175.137 0.100 1 271 33 33 PRO CA C 65.285 0.046 1 272 33 33 PRO CB C 32.031 0.257 1 273 33 33 PRO CG C 28.812 0.081 1 274 33 33 PRO CD C 50.079 0.024 1 275 34 34 ARG H H 7.257 0.006 1 276 34 34 ARG HA H 4.492 0.008 1 277 34 34 ARG HB2 H 1.997 0.002 2 278 34 34 ARG HB3 H 1.571 0.006 2 279 34 34 ARG HG2 H 1.599 0.001 1 280 34 34 ARG HG3 H 1.599 0.001 1 281 34 34 ARG HD2 H 3.195 0.004 1 282 34 34 ARG HD3 H 3.195 0.004 1 283 34 34 ARG HE H 7.187 0.002 1 284 34 34 ARG C C 176.844 0.100 1 285 34 34 ARG CA C 54.436 0.076 1 286 34 34 ARG CB C 30.584 0.053 1 287 34 34 ARG CG C 27.413 0.013 1 288 34 34 ARG CD C 43.349 0.094 1 289 34 34 ARG N N 110.279 0.030 1 290 34 34 ARG NE N 84.510 0.100 1 291 35 35 GLY H H 8.589 0.009 1 292 35 35 GLY HA2 H 4.717 0.022 2 293 35 35 GLY HA3 H 3.618 0.005 2 294 35 35 GLY C C 173.336 0.100 1 295 35 35 GLY CA C 47.030 0.050 1 296 35 35 GLY N N 110.288 0.025 1 297 36 36 GLU H H 7.769 0.006 1 298 36 36 GLU HA H 4.348 0.005 1 299 36 36 GLU HB2 H 1.839 0.009 2 300 36 36 GLU HB3 H 1.436 0.010 2 301 36 36 GLU HG2 H 2.222 0.010 2 302 36 36 GLU HG3 H 1.910 0.005 2 303 36 36 GLU C C 176.915 0.100 1 304 36 36 GLU CA C 54.907 0.090 1 305 36 36 GLU CB C 30.415 0.041 1 306 36 36 GLU CG C 35.583 0.025 1 307 36 36 GLU N N 116.838 0.025 1 308 37 37 LYS H H 8.667 0.007 1 309 37 37 LYS HA H 4.423 0.006 1 310 37 37 LYS HB2 H 1.492 0.008 2 311 37 37 LYS HB3 H 0.821 0.004 2 312 37 37 LYS HG2 H 0.936 0.011 2 313 37 37 LYS HG3 H 0.700 0.010 2 314 37 37 LYS HD2 H 1.297 0.013 2 315 37 37 LYS HD3 H 0.345 0.009 2 316 37 37 LYS HE2 H 2.881 0.005 2 317 37 37 LYS HE3 H 2.789 0.006 2 318 37 37 LYS C C 176.067 0.100 1 319 37 37 LYS CA C 56.901 0.100 1 320 37 37 LYS CB C 33.674 0.158 1 321 37 37 LYS CG C 27.501 0.082 1 322 37 37 LYS CD C 29.598 0.074 1 323 37 37 LYS CE C 42.375 0.177 1 324 37 37 LYS N N 123.775 0.043 1 325 38 38 LEU H H 10.455 0.006 1 326 38 38 LEU HA H 4.227 0.007 1 327 38 38 LEU HB2 H 0.835 0.003 2 328 38 38 LEU HB3 H 1.796 0.010 2 329 38 38 LEU HG H 1.737 0.002 1 330 38 38 LEU HD1 H 0.385 0.006 1 331 38 38 LEU HD2 H 0.420 0.001 1 332 38 38 LEU C C 174.332 0.100 1 333 38 38 LEU CA C 53.343 0.076 1 334 38 38 LEU CB C 41.651 0.149 1 335 38 38 LEU CG C 25.052 0.045 1 336 38 38 LEU CD1 C 22.053 0.028 1 337 38 38 LEU CD2 C 25.185 0.046 1 338 38 38 LEU N N 126.658 0.043 1 339 39 39 ALA H H 8.773 0.005 1 340 39 39 ALA HA H 5.229 0.013 1 341 39 39 ALA HB H 1.562 0.003 1 342 39 39 ALA C C 178.694 0.100 1 343 39 39 ALA CA C 50.225 0.033 1 344 39 39 ALA CB C 21.349 0.231 1 345 39 39 ALA N N 127.018 0.055 1 346 40 40 LEU H H 9.665 0.008 1 347 40 40 LEU HA H 4.354 0.010 1 348 40 40 LEU HB2 H 1.834 0.002 2 349 40 40 LEU HB3 H 1.234 0.004 2 350 40 40 LEU HG H 1.164 0.003 1 351 40 40 LEU HD1 H 0.272 0.004 1 352 40 40 LEU HD2 H -0.379 0.004 1 353 40 40 LEU C C 178.309 0.100 1 354 40 40 LEU CA C 56.845 0.055 1 355 40 40 LEU CB C 43.323 0.234 1 356 40 40 LEU CG C 26.454 0.028 1 357 40 40 LEU CD1 C 25.625 0.018 1 358 40 40 LEU CD2 C 24.417 0.020 1 359 40 40 LEU N N 126.771 0.044 1 360 41 41 THR H H 9.802 0.010 1 361 41 41 THR HA H 4.916 0.008 1 362 41 41 THR HB H 3.999 0.003 1 363 41 41 THR HG2 H 1.003 0.008 1 364 41 41 THR C C 172.547 0.100 1 365 41 41 THR CA C 63.253 0.022 1 366 41 41 THR CB C 71.832 0.072 1 367 41 41 THR CG2 C 20.284 0.050 1 368 41 41 THR N N 126.578 0.027 1 369 42 42 TYR H H 9.428 0.006 1 370 42 42 TYR HA H 5.102 0.007 1 371 42 42 TYR HB2 H 3.046 0.009 2 372 42 42 TYR HB3 H 2.800 0.010 2 373 42 42 TYR HD1 H 7.180 0.009 3 374 42 42 TYR HD2 H 7.180 0.009 3 375 42 42 TYR HE1 H 6.706 0.010 3 376 42 42 TYR HE2 H 6.706 0.010 3 377 42 42 TYR CA C 53.986 0.037 1 378 42 42 TYR CB C 39.155 0.083 1 379 42 42 TYR CD1 C 132.550 0.046 3 380 42 42 TYR CE1 C 118.269 0.009 3 381 42 42 TYR N N 130.506 0.025 1 382 43 43 PRO HA H 4.490 0.003 1 383 43 43 PRO HB2 H 2.463 0.005 2 384 43 43 PRO HB3 H 1.828 0.003 2 385 43 43 PRO HG2 H 2.172 0.006 2 386 43 43 PRO HG3 H 1.791 0.009 2 387 43 43 PRO HD2 H 4.408 0.009 2 388 43 43 PRO HD3 H 3.859 0.006 2 389 43 43 PRO CA C 63.573 0.077 1 390 43 43 PRO CB C 32.644 0.077 1 391 43 43 PRO CG C 27.503 0.073 1 392 43 43 PRO CD C 52.351 0.099 1 393 44 44 GLY H H 8.337 0.002 1 394 44 44 GLY HA2 H 4.059 0.007 2 395 44 44 GLY HA3 H 3.129 0.006 2 396 44 44 GLY C C 171.790 0.100 1 397 44 44 GLY CA C 45.716 0.097 1 398 44 44 GLY N N 113.736 0.015 1 399 45 45 ARG H H 6.463 0.009 1 400 45 45 ARG HA H 4.576 0.002 1 401 45 45 ARG HB2 H 1.945 0.002 2 402 45 45 ARG HB3 H 1.640 0.004 2 403 45 45 ARG HG2 H 1.463 0.010 1 404 45 45 ARG HG3 H 1.463 0.010 1 405 45 45 ARG HD2 H 3.142 0.004 1 406 45 45 ARG HD3 H 3.142 0.004 1 407 45 45 ARG HE H 7.025 0.003 1 408 45 45 ARG C C 175.151 0.100 1 409 45 45 ARG CA C 54.165 0.061 1 410 45 45 ARG CB C 33.219 0.065 1 411 45 45 ARG CG C 25.643 0.030 1 412 45 45 ARG CD C 43.544 0.072 1 413 45 45 ARG N N 113.899 0.015 1 414 45 45 ARG NE N 85.021 0.100 1 415 46 46 GLN H H 8.683 0.007 1 416 46 46 GLN HA H 4.449 0.010 1 417 46 46 GLN HB2 H 2.418 0.005 2 418 46 46 GLN HB3 H 2.062 0.010 2 419 46 46 GLN HG2 H 2.642 0.007 2 420 46 46 GLN HG3 H 2.192 0.006 2 421 46 46 GLN HE21 H 6.677 0.007 2 422 46 46 GLN HE22 H 7.107 0.007 2 423 46 46 GLN C C 177.282 0.100 1 424 46 46 GLN CA C 56.613 0.090 1 425 46 46 GLN CB C 30.496 0.137 1 426 46 46 GLN CG C 35.002 0.068 1 427 46 46 GLN N N 119.000 0.015 1 428 46 46 GLN NE2 N 108.388 0.018 1 429 47 47 ARG H H 9.677 0.009 1 430 47 47 ARG HA H 3.530 0.004 1 431 47 47 ARG HB2 H 1.665 0.006 2 432 47 47 ARG HB3 H 1.625 0.001 2 433 47 47 ARG HG2 H 2.144 0.006 2 434 47 47 ARG HG3 H 2.053 0.006 2 435 47 47 ARG HD2 H 3.333 0.002 2 436 47 47 ARG HD3 H 3.254 0.002 2 437 47 47 ARG HE H 7.427 0.010 1 438 47 47 ARG C C 174.130 0.100 1 439 47 47 ARG CA C 58.816 0.085 1 440 47 47 ARG CB C 29.070 0.752 1 441 47 47 ARG CG C 27.818 0.090 1 442 47 47 ARG CD C 43.376 0.072 1 443 47 47 ARG N N 113.526 0.028 1 444 47 47 ARG NE N 85.235 0.100 1 445 48 48 THR H H 8.104 0.008 1 446 48 48 THR HA H 4.938 0.007 1 447 48 48 THR HB H 3.666 0.005 1 448 48 48 THR HG2 H 1.196 0.005 1 449 48 48 THR CA C 59.987 0.068 1 450 48 48 THR CB C 71.947 0.081 1 451 48 48 THR CG2 C 20.719 0.050 1 452 48 48 THR N N 114.672 0.044 1 453 49 49 PRO HA H 4.368 0.005 1 454 49 49 PRO HB2 H 2.083 0.002 2 455 49 49 PRO HB3 H 1.792 0.005 2 456 49 49 PRO HG2 H 2.172 0.008 2 457 49 49 PRO HG3 H 1.817 0.016 2 458 49 49 PRO HD2 H 3.981 0.004 2 459 49 49 PRO HD3 H 3.692 0.004 2 460 49 49 PRO C C 175.651 0.100 1 461 49 49 PRO CA C 64.181 0.023 1 462 49 49 PRO CB C 32.697 0.076 1 463 49 49 PRO CG C 27.972 0.143 1 464 49 49 PRO CD C 51.950 0.129 1 465 50 50 VAL H H 8.123 0.005 1 466 50 50 VAL HA H 3.947 0.006 1 467 50 50 VAL HB H 1.650 0.003 1 468 50 50 VAL HG1 H 0.962 0.003 1 469 50 50 VAL HG2 H 0.880 0.002 1 470 50 50 VAL C C 174.493 0.100 1 471 50 50 VAL CA C 63.811 0.090 1 472 50 50 VAL CB C 32.168 0.161 1 473 50 50 VAL CG1 C 22.174 0.040 1 474 50 50 VAL CG2 C 22.100 0.019 1 475 50 50 VAL N N 122.562 0.039 1 476 51 51 THR H H 7.057 0.011 1 477 51 51 THR HA H 5.372 0.008 1 478 51 51 THR HB H 3.983 0.002 1 479 51 51 THR HG2 H 1.062 0.003 1 480 51 51 THR C C 174.841 0.100 1 481 51 51 THR CA C 59.196 0.055 1 482 51 51 THR CB C 72.703 0.056 1 483 51 51 THR CG2 C 21.936 0.039 1 484 51 51 THR N N 113.549 0.021 1 485 52 52 VAL H H 8.062 0.008 1 486 52 52 VAL HA H 5.514 0.004 1 487 52 52 VAL HB H 1.820 0.005 1 488 52 52 VAL HG1 H 1.113 0.002 1 489 52 52 VAL HG2 H 0.980 0.012 1 490 52 52 VAL C C 175.697 0.100 1 491 52 52 VAL CA C 58.472 0.068 1 492 52 52 VAL CB C 34.774 0.108 1 493 52 52 VAL CG1 C 19.454 0.039 1 494 52 52 VAL CG2 C 22.124 0.079 1 495 52 52 VAL N N 107.374 0.022 1 496 53 53 SER H H 8.681 0.010 1 497 53 53 SER HA H 4.690 0.005 1 498 53 53 SER HB2 H 3.948 0.002 2 499 53 53 SER HB3 H 3.853 0.003 2 500 53 53 SER CA C 56.828 0.160 1 501 53 53 SER CB C 64.789 0.295 1 502 53 53 SER N N 114.662 0.038 1 503 54 54 PRO HA H 4.776 0.008 1 504 54 54 PRO HB2 H 2.138 0.001 2 505 54 54 PRO HB3 H 1.835 0.006 2 506 54 54 PRO HG2 H 2.144 0.007 2 507 54 54 PRO HG3 H 1.521 0.005 2 508 54 54 PRO HD2 H 3.695 0.005 2 509 54 54 PRO HD3 H 3.481 0.004 2 510 54 54 PRO C C 177.724 0.100 1 511 54 54 PRO CA C 63.425 0.074 1 512 54 54 PRO CB C 32.097 0.135 1 513 54 54 PRO CG C 28.265 0.025 1 514 54 54 PRO CD C 51.021 0.057 1 515 55 55 LEU H H 8.675 0.005 1 516 55 55 LEU HA H 4.527 0.006 1 517 55 55 LEU HB2 H 1.690 0.004 2 518 55 55 LEU HB3 H 1.169 0.011 2 519 55 55 LEU HG H 1.512 0.003 1 520 55 55 LEU HD1 H 0.826 0.001 1 521 55 55 LEU HD2 H 0.697 0.001 1 522 55 55 LEU C C 178.696 0.100 1 523 55 55 LEU CA C 56.246 0.044 1 524 55 55 LEU CB C 43.606 0.028 1 525 55 55 LEU CG C 27.209 0.017 1 526 55 55 LEU CD1 C 25.944 0.018 1 527 55 55 LEU CD2 C 25.950 0.033 1 528 55 55 LEU N N 128.655 0.096 1 529 56 56 ASP H H 9.683 0.010 1 530 56 56 ASP HA H 4.709 0.008 1 531 56 56 ASP HB2 H 2.994 0.009 2 532 56 56 ASP HB3 H 2.536 0.005 2 533 56 56 ASP C C 177.729 0.100 1 534 56 56 ASP CA C 53.623 0.039 1 535 56 56 ASP CB C 41.632 0.104 1 536 56 56 ASP N N 126.651 0.045 1 537 57 57 GLY H H 8.157 0.005 1 538 57 57 GLY HA2 H 4.103 0.007 2 539 57 57 GLY HA3 H 3.755 0.006 2 540 57 57 GLY C C 174.558 0.100 1 541 57 57 GLY CA C 45.955 0.082 1 542 57 57 GLY N N 109.299 0.029 1 543 58 58 SER H H 8.328 0.006 1 544 58 58 SER HA H 4.288 0.014 1 545 58 58 SER HB2 H 4.212 0.005 2 546 58 58 SER HB3 H 3.933 0.006 2 547 58 58 SER C C 177.252 0.100 1 548 58 58 SER CA C 58.737 0.063 1 549 58 58 SER CB C 64.576 0.133 1 550 58 58 SER N N 116.740 0.019 1 551 59 59 SER H H 9.020 0.005 1 552 59 59 SER HA H 4.046 0.011 1 553 59 59 SER HB2 H 3.804 0.005 1 554 59 59 SER HB3 H 3.804 0.005 1 555 59 59 SER C C 176.671 0.100 1 556 59 59 SER CA C 61.691 0.080 1 557 59 59 SER CB C 63.154 0.732 1 558 59 59 SER N N 119.768 0.032 1 559 60 60 GLU H H 8.832 0.005 1 560 60 60 GLU HA H 4.186 0.005 1 561 60 60 GLU HB2 H 2.446 0.008 2 562 60 60 GLU HB3 H 2.217 0.010 2 563 60 60 GLU HG2 H 2.669 0.003 2 564 60 60 GLU HG3 H 2.292 0.003 2 565 60 60 GLU C C 177.435 0.100 1 566 60 60 GLU CA C 60.033 0.108 1 567 60 60 GLU CB C 28.226 0.073 1 568 60 60 GLU CG C 38.158 0.041 1 569 60 60 GLU N N 119.133 0.010 1 570 61 61 GLN H H 7.648 0.008 1 571 61 61 GLN HA H 5.177 0.010 1 572 61 61 GLN HB2 H 2.399 0.006 2 573 61 61 GLN HB3 H 2.028 0.006 2 574 61 61 GLN HG2 H 2.428 0.010 2 575 61 61 GLN HG3 H 2.321 0.009 2 576 61 61 GLN HE21 H 6.191 0.013 2 577 61 61 GLN HE22 H 6.694 0.007 2 578 61 61 GLN C C 173.254 0.100 1 579 61 61 GLN CA C 54.373 0.063 1 580 61 61 GLN CB C 27.922 0.133 1 581 61 61 GLN CG C 34.108 0.088 1 582 61 61 GLN N N 118.818 0.023 1 583 61 61 GLN NE2 N 109.525 0.016 1 584 62 62 ALA H H 7.315 0.006 1 585 62 62 ALA HA H 5.064 0.008 1 586 62 62 ALA HB H 1.233 0.003 1 587 62 62 ALA C C 176.637 0.100 1 588 62 62 ALA CA C 51.179 0.075 1 589 62 62 ALA CB C 20.595 0.058 1 590 62 62 ALA N N 122.562 0.015 1 591 63 63 TRP H H 9.544 0.005 1 592 63 63 TRP HA H 4.964 0.003 1 593 63 63 TRP HB2 H 2.989 0.009 2 594 63 63 TRP HB3 H 2.673 0.009 2 595 63 63 TRP HD1 H 7.443 0.008 1 596 63 63 TRP HE1 H 9.220 0.006 1 597 63 63 TRP HE3 H 7.084 0.010 1 598 63 63 TRP HZ2 H 6.982 0.004 1 599 63 63 TRP HZ3 H 6.501 0.008 1 600 63 63 TRP HH2 H 6.733 0.006 1 601 63 63 TRP C C 174.351 0.100 1 602 63 63 TRP CA C 55.902 0.036 1 603 63 63 TRP CB C 32.117 0.092 1 604 63 63 TRP CD1 C 129.341 0.056 1 605 63 63 TRP CE3 C 120.608 0.100 1 606 63 63 TRP CZ2 C 114.163 0.071 1 607 63 63 TRP CZ3 C 120.156 0.100 1 608 63 63 TRP CH2 C 120.959 0.054 1 609 63 63 TRP N N 124.787 0.020 1 610 63 63 TRP NE1 N 128.321 0.024 1 611 64 64 ILE H H 10.235 0.006 1 612 64 64 ILE HA H 4.694 0.007 1 613 64 64 ILE HB H 1.793 0.001 1 614 64 64 ILE HG12 H 1.166 0.001 2 615 64 64 ILE HG13 H 1.470 0.007 2 616 64 64 ILE HG2 H 0.924 0.001 1 617 64 64 ILE HD1 H 0.896 0.002 1 618 64 64 ILE C C 177.078 0.100 1 619 64 64 ILE CA C 61.031 0.035 1 620 64 64 ILE CB C 40.369 0.122 1 621 64 64 ILE CG1 C 26.937 0.072 1 622 64 64 ILE CG2 C 17.716 0.017 1 623 64 64 ILE CD1 C 14.882 0.049 1 624 64 64 ILE N N 122.482 0.023 1 625 65 65 LEU H H 9.432 0.007 1 626 65 65 LEU HA H 5.465 0.006 1 627 65 65 LEU HB2 H 1.723 0.004 2 628 65 65 LEU HB3 H 1.569 0.012 2 629 65 65 LEU HG H 1.439 0.003 1 630 65 65 LEU HD1 H 0.177 0.003 1 631 65 65 LEU HD2 H 0.064 0.002 1 632 65 65 LEU C C 177.048 0.100 1 633 65 65 LEU CA C 54.349 0.045 1 634 65 65 LEU CB C 42.344 0.093 1 635 65 65 LEU CG C 29.175 0.072 1 636 65 65 LEU CD1 C 24.115 0.023 1 637 65 65 LEU CD2 C 24.854 0.034 1 638 65 65 LEU N N 132.183 0.059 1 639 66 66 ARG H H 8.491 0.014 1 640 66 66 ARG HA H 4.888 0.009 1 641 66 66 ARG HB2 H 1.874 0.010 2 642 66 66 ARG HB3 H 1.794 0.003 2 643 66 66 ARG HG2 H 1.736 0.003 2 644 66 66 ARG HG3 H 1.688 0.003 2 645 66 66 ARG HD2 H 3.271 0.011 2 646 66 66 ARG HD3 H 3.203 0.007 2 647 66 66 ARG HE H 7.333 0.010 1 648 66 66 ARG C C 175.275 0.100 1 649 66 66 ARG CA C 55.055 0.077 1 650 66 66 ARG CB C 32.991 0.085 1 651 66 66 ARG CG C 28.502 0.005 1 652 66 66 ARG CD C 43.697 0.167 1 653 66 66 ARG N N 120.807 0.071 1 654 66 66 ARG NE N 86.004 0.100 1 655 67 67 SER H H 8.557 0.005 1 656 67 67 SER HA H 3.186 0.005 1 657 67 67 SER HB2 H 3.238 0.009 2 658 67 67 SER HB3 H 2.979 0.007 2 659 67 67 SER C C 174.508 0.100 1 660 67 67 SER CA C 58.521 0.084 1 661 67 67 SER CB C 62.590 0.122 1 662 67 67 SER N N 119.709 0.029 1 663 68 68 TYR H H 8.531 0.008 1 664 68 68 TYR HA H 4.448 0.008 1 665 68 68 TYR HB2 H 2.627 0.003 2 666 68 68 TYR HB3 H 2.561 0.006 2 667 68 68 TYR HD1 H 6.958 0.007 3 668 68 68 TYR HD2 H 6.958 0.007 3 669 68 68 TYR HE1 H 6.704 0.005 3 670 68 68 TYR HE2 H 6.704 0.005 3 671 68 68 TYR C C 174.687 0.100 1 672 68 68 TYR CA C 59.765 0.073 1 673 68 68 TYR CB C 38.988 0.159 1 674 68 68 TYR CD2 C 133.237 0.035 3 675 68 68 TYR CE2 C 118.255 0.002 3 676 68 68 TYR N N 131.011 0.074 1 677 69 69 ASP H H 7.122 0.008 1 678 69 69 ASP HA H 4.625 0.004 1 679 69 69 ASP HB2 H 2.802 0.005 2 680 69 69 ASP HB3 H 2.379 0.009 2 681 69 69 ASP C C 176.455 0.100 1 682 69 69 ASP CA C 53.091 0.043 1 683 69 69 ASP CB C 42.147 0.058 1 684 69 69 ASP N N 117.066 0.041 1 685 70 70 SER H H 8.757 0.004 1 686 70 70 SER HA H 4.270 0.005 1 687 70 70 SER HB2 H 3.883 0.008 2 688 70 70 SER HB3 H 3.739 0.007 2 689 70 70 SER C C 177.010 0.100 1 690 70 70 SER CA C 60.837 0.065 1 691 70 70 SER CB C 62.722 0.303 1 692 70 70 SER N N 122.869 0.065 1 693 71 71 ASN H H 8.342 0.005 1 694 71 71 ASN HA H 4.571 0.015 1 695 71 71 ASN HB2 H 2.948 0.005 2 696 71 71 ASN HB3 H 2.818 0.006 2 697 71 71 ASN HD21 H 6.921 0.005 2 698 71 71 ASN HD22 H 7.788 0.003 2 699 71 71 ASN C C 176.226 0.100 1 700 71 71 ASN CA C 55.714 0.009 1 701 71 71 ASN CB C 38.641 0.057 1 702 71 71 ASN CG C 176.872 0.100 1 703 71 71 ASN N N 119.873 0.015 1 704 71 71 ASN ND2 N 114.354 0.016 1 705 72 72 SER H H 7.560 0.007 1 706 72 72 SER HA H 4.567 0.006 1 707 72 72 SER HB2 H 3.931 0.003 1 708 72 72 SER HB3 H 3.931 0.003 1 709 72 72 SER C C 173.789 0.100 1 710 72 72 SER CA C 57.816 0.073 1 711 72 72 SER CB C 63.935 0.127 1 712 72 72 SER N N 112.202 0.051 1 713 73 73 ASN H H 7.940 0.007 1 714 73 73 ASN HA H 4.534 0.004 1 715 73 73 ASN HB2 H 3.532 0.004 2 716 73 73 ASN HB3 H 2.805 0.006 2 717 73 73 ASN HD21 H 6.935 0.007 2 718 73 73 ASN HD22 H 7.759 0.001 2 719 73 73 ASN C C 173.647 0.100 1 720 73 73 ASN CA C 54.523 0.116 1 721 73 73 ASN CB C 37.213 0.050 1 722 73 73 ASN CG C 179.157 0.100 1 723 73 73 ASN N N 117.437 0.021 1 724 73 73 ASN ND2 N 113.291 0.015 1 725 74 74 THR H H 7.737 0.004 1 726 74 74 THR HA H 5.477 0.007 1 727 74 74 THR HB H 3.981 0.001 1 728 74 74 THR HG2 H 1.147 0.002 1 729 74 74 THR C C 176.824 0.100 1 730 74 74 THR CA C 59.768 0.066 1 731 74 74 THR CB C 71.985 0.101 1 732 74 74 THR CG2 C 23.226 0.149 1 733 74 74 THR N N 104.227 0.058 1 734 75 75 TRP H H 9.442 0.007 1 735 75 75 TRP HA H 5.207 0.012 1 736 75 75 TRP HB2 H 3.346 0.010 2 737 75 75 TRP HB3 H 2.526 0.007 2 738 75 75 TRP HD1 H 7.201 0.006 1 739 75 75 TRP HE1 H 10.083 0.009 1 740 75 75 TRP HE3 H 7.205 0.002 1 741 75 75 TRP HZ2 H 7.378 0.004 1 742 75 75 TRP HZ3 H 6.549 0.005 1 743 75 75 TRP HH2 H 6.843 0.005 1 744 75 75 TRP C C 175.876 0.100 1 745 75 75 TRP CA C 57.606 0.035 1 746 75 75 TRP CB C 33.516 0.067 1 747 75 75 TRP CD1 C 127.528 0.050 1 748 75 75 TRP CE3 C 120.276 0.005 1 749 75 75 TRP CZ2 C 114.557 0.013 1 750 75 75 TRP CZ3 C 120.521 0.103 1 751 75 75 TRP CH2 C 124.069 0.008 1 752 75 75 TRP N N 124.636 0.058 1 753 75 75 TRP NE1 N 128.659 0.031 1 754 76 76 THR H H 9.415 0.007 1 755 76 76 THR HA H 5.129 0.006 1 756 76 76 THR HB H 4.364 0.002 1 757 76 76 THR HG2 H 1.280 0.006 1 758 76 76 THR C C 174.506 0.100 1 759 76 76 THR CA C 60.561 0.080 1 760 76 76 THR CB C 71.688 0.218 1 761 76 76 THR CG2 C 21.108 0.060 1 762 76 76 THR N N 110.544 0.017 1 763 77 77 ILE H H 9.255 0.007 1 764 77 77 ILE HA H 5.139 0.005 1 765 77 77 ILE HB H 1.547 0.013 1 766 77 77 ILE HG12 H 1.598 0.007 2 767 77 77 ILE HG13 H 0.742 0.010 2 768 77 77 ILE HG2 H 0.633 0.004 1 769 77 77 ILE HD1 H 0.145 0.004 1 770 77 77 ILE C C 176.148 0.100 1 771 77 77 ILE CA C 61.708 0.121 1 772 77 77 ILE CB C 40.987 0.091 1 773 77 77 ILE CG1 C 26.145 0.067 1 774 77 77 ILE CG2 C 18.213 0.067 1 775 77 77 ILE CD1 C 12.608 0.101 1 776 77 77 ILE N N 121.567 0.060 1 777 78 78 SER H H 9.226 0.010 1 778 78 78 SER HA H 5.601 0.011 1 779 78 78 SER HB2 H 4.262 0.010 2 780 78 78 SER HB3 H 3.563 0.010 2 781 78 78 SER CA C 55.835 0.047 1 782 78 78 SER CB C 65.858 0.040 1 783 78 78 SER N N 122.269 0.034 1 784 79 79 PRO HA H 3.864 0.009 1 785 79 79 PRO HB2 H 1.081 0.005 2 786 79 79 PRO HB3 H 0.804 0.005 2 787 79 79 PRO HG2 H 1.580 0.011 2 788 79 79 PRO HG3 H 1.224 0.009 2 789 79 79 PRO HD2 H 3.900 0.006 2 790 79 79 PRO HD3 H 3.439 0.006 2 791 79 79 PRO C C 178.175 0.100 1 792 79 79 PRO CA C 62.884 0.186 1 793 79 79 PRO CB C 30.272 0.099 1 794 79 79 PRO CG C 27.315 0.077 1 795 79 79 PRO CD C 49.532 0.071 1 796 80 80 VAL H H 7.328 0.006 1 797 80 80 VAL HA H 3.581 0.007 1 798 80 80 VAL HB H 1.840 0.005 1 799 80 80 VAL HG1 H 0.782 0.005 1 800 80 80 VAL HG2 H 0.846 0.002 1 801 80 80 VAL C C 177.751 0.100 1 802 80 80 VAL CA C 66.067 0.047 1 803 80 80 VAL CB C 31.485 0.226 1 804 80 80 VAL CG1 C 21.063 0.029 1 805 80 80 VAL CG2 C 22.895 0.018 1 806 80 80 VAL N N 121.906 0.028 1 807 81 81 GLY H H 8.949 0.005 1 808 81 81 GLY HA2 H 3.940 0.012 2 809 81 81 GLY HA3 H 3.554 0.006 2 810 81 81 GLY C C 174.979 0.100 1 811 81 81 GLY CA C 45.088 0.078 1 812 81 81 GLY N N 104.643 0.018 1 813 82 82 SER H H 6.968 0.007 1 814 82 82 SER HA H 4.646 0.005 1 815 82 82 SER HB2 H 3.578 0.010 2 816 82 82 SER HB3 H 3.481 0.011 2 817 82 82 SER CA C 55.441 0.102 1 818 82 82 SER CB C 62.277 0.070 1 819 82 82 SER N N 111.865 0.034 1 820 83 83 PRO HA H 4.347 0.004 1 821 83 83 PRO HB2 H 2.171 0.003 2 822 83 83 PRO HB3 H 1.940 0.003 2 823 83 83 PRO HG2 H 1.989 0.003 2 824 83 83 PRO HG3 H 1.878 0.004 2 825 83 83 PRO HD2 H 3.644 0.007 2 826 83 83 PRO HD3 H 3.430 0.003 2 827 83 83 PRO C C 176.660 0.100 1 828 83 83 PRO CA C 65.203 0.118 1 829 83 83 PRO CB C 32.819 0.052 1 830 83 83 PRO CG C 27.011 0.065 1 831 83 83 PRO CD C 49.911 0.061 1 832 84 84 ASN H H 8.502 0.007 1 833 84 84 ASN HA H 5.001 0.007 1 834 84 84 ASN HB2 H 2.878 0.005 2 835 84 84 ASN HB3 H 2.719 0.007 2 836 84 84 ASN HD21 H 6.929 0.006 2 837 84 84 ASN HD22 H 7.510 0.003 2 838 84 84 ASN C C 175.825 0.100 1 839 84 84 ASN CA C 52.891 0.057 1 840 84 84 ASN CB C 38.744 0.051 1 841 84 84 ASN CG C 177.666 0.008 1 842 84 84 ASN N N 116.542 0.034 1 843 84 84 ASN ND2 N 113.115 0.022 1 844 85 85 SER H H 7.980 0.016 1 845 85 85 SER HA H 4.624 0.006 1 846 85 85 SER HB2 H 3.926 0.005 2 847 85 85 SER HB3 H 3.753 0.002 2 848 85 85 SER C C 172.963 0.100 1 849 85 85 SER CA C 59.210 0.097 1 850 85 85 SER CB C 64.697 0.074 1 851 85 85 SER N N 114.633 0.035 1 852 86 86 GLN H H 9.399 0.009 1 853 86 86 GLN HA H 5.446 0.006 1 854 86 86 GLN HB2 H 2.615 0.012 2 855 86 86 GLN HB3 H 2.299 0.011 2 856 86 86 GLN HG2 H 2.472 0.010 2 857 86 86 GLN HE21 H 7.166 0.003 2 858 86 86 GLN HE22 H 7.750 0.008 2 859 86 86 GLN CA C 54.452 0.055 1 860 86 86 GLN CB C 34.398 0.114 1 861 86 86 GLN CG C 34.025 0.121 1 862 86 86 GLN N N 119.016 0.028 1 863 86 86 GLN NE2 N 111.646 0.066 1 864 87 87 ILE H H 8.970 0.008 1 865 87 87 ILE HA H 4.575 0.001 1 866 87 87 ILE HB H 1.798 0.009 1 867 87 87 ILE HG12 H 1.786 0.003 2 868 87 87 ILE HG13 H 0.794 0.011 2 869 87 87 ILE HG2 H 0.842 0.002 1 870 87 87 ILE HD1 H 0.152 0.001 1 871 87 87 ILE C C 176.505 0.361 1 872 87 87 ILE CA C 63.494 0.038 1 873 87 87 ILE CB C 38.197 0.131 1 874 87 87 ILE CG1 C 28.687 0.057 1 875 87 87 ILE CG2 C 19.617 0.047 1 876 87 87 ILE CD1 C 14.302 0.028 1 877 87 87 ILE N N 119.691 0.027 1 878 88 88 GLY H H 9.752 0.016 1 879 88 88 GLY HA2 H 4.802 0.015 2 880 88 88 GLY HA3 H 2.920 0.009 2 881 88 88 GLY C C 171.397 0.100 1 882 88 88 GLY CA C 43.604 0.052 1 883 88 88 GLY N N 118.378 0.020 1 884 89 89 TRP H H 8.215 0.010 1 885 89 89 TRP HA H 4.598 0.008 1 886 89 89 TRP HB2 H 3.445 0.006 2 887 89 89 TRP HB3 H 3.207 0.006 2 888 89 89 TRP HD1 H 7.611 0.007 1 889 89 89 TRP HE1 H 10.556 0.006 1 890 89 89 TRP HE3 H 7.599 0.004 1 891 89 89 TRP HZ2 H 7.458 0.008 1 892 89 89 TRP HZ3 H 7.096 0.004 1 893 89 89 TRP HH2 H 7.185 0.004 1 894 89 89 TRP C C 175.924 0.100 1 895 89 89 TRP CA C 56.283 0.092 1 896 89 89 TRP CB C 30.086 0.132 1 897 89 89 TRP CD1 C 124.180 0.026 1 898 89 89 TRP CE3 C 120.244 0.042 1 899 89 89 TRP CZ2 C 114.360 0.002 1 900 89 89 TRP CZ3 C 122.215 0.004 1 901 89 89 TRP CH2 C 126.065 0.037 1 902 89 89 TRP N N 122.749 0.032 1 903 89 89 TRP NE1 N 128.727 0.100 1 904 90 90 GLY H H 8.922 0.006 1 905 90 90 GLY HA2 H 4.389 0.007 2 906 90 90 GLY HA3 H 3.766 0.008 2 907 90 90 GLY C C 173.725 0.100 1 908 90 90 GLY CA C 45.055 0.048 1 909 90 90 GLY N N 116.305 0.037 1 910 91 91 ALA H H 8.367 0.005 1 911 91 91 ALA HA H 4.243 0.003 1 912 91 91 ALA HB H 1.418 0.004 1 913 91 91 ALA C C 178.510 0.100 1 914 91 91 ALA CA C 53.490 0.064 1 915 91 91 ALA CB C 18.409 0.048 1 916 91 91 ALA N N 123.795 0.010 1 917 92 92 GLY H H 8.776 0.007 1 918 92 92 GLY HA2 H 4.080 0.007 2 919 92 92 GLY HA3 H 3.845 0.005 2 920 92 92 GLY C C 174.528 0.100 1 921 92 92 GLY CA C 45.258 0.037 1 922 92 92 GLY N N 108.871 0.025 1 923 93 93 ASN H H 8.647 0.006 1 924 93 93 ASN HA H 4.449 0.005 1 925 93 93 ASN HB2 H 3.519 0.004 2 926 93 93 ASN HB3 H 3.356 0.012 2 927 93 93 ASN HD21 H 7.144 0.005 2 928 93 93 ASN HD22 H 7.799 0.013 2 929 93 93 ASN C C 172.774 0.100 1 930 93 93 ASN CA C 54.973 0.142 1 931 93 93 ASN CB C 36.329 0.065 1 932 93 93 ASN N N 114.921 0.033 1 933 93 93 ASN ND2 N 115.200 0.037 1 934 94 94 VAL H H 6.989 0.008 1 935 94 94 VAL HA H 5.065 0.010 1 936 94 94 VAL HB H 2.054 0.008 1 937 94 94 VAL HG1 H 0.741 0.004 1 938 94 94 VAL HG2 H 0.987 0.005 1 939 94 94 VAL CA C 56.915 0.058 1 940 94 94 VAL CB C 34.155 0.056 1 941 94 94 VAL CG1 C 18.485 0.018 2 942 94 94 VAL CG2 C 21.399 0.046 2 943 94 94 VAL N N 112.437 0.027 1 944 95 95 PRO HA H 4.928 0.008 1 945 95 95 PRO HB2 H 1.211 0.011 2 946 95 95 PRO HB3 H 0.962 0.013 2 947 95 95 PRO HG2 H -0.029 0.006 2 948 95 95 PRO HG3 H 0.492 0.015 2 949 95 95 PRO HD2 H 3.396 0.010 2 950 95 95 PRO HD3 H 3.241 0.008 2 951 95 95 PRO C C 176.041 0.100 1 952 95 95 PRO CA C 61.201 0.145 1 953 95 95 PRO CB C 30.725 0.107 1 954 95 95 PRO CG C 25.766 0.075 1 955 95 95 PRO CD C 50.513 0.045 1 956 96 96 VAL H H 8.199 0.005 1 957 96 96 VAL HA H 4.735 0.011 1 958 96 96 VAL HB H 1.668 0.004 1 959 96 96 VAL HG1 H 0.700 0.005 1 960 96 96 VAL HG2 H 0.703 0.010 1 961 96 96 VAL C C 173.656 0.100 1 962 96 96 VAL CA C 58.853 0.024 1 963 96 96 VAL CB C 37.153 0.065 1 964 96 96 VAL CG1 C 21.361 0.029 2 965 96 96 VAL CG2 C 17.529 0.040 2 966 96 96 VAL N N 113.564 0.035 1 967 97 97 VAL H H 8.957 0.011 1 968 97 97 VAL HA H 4.631 0.005 1 969 97 97 VAL HB H 2.444 0.002 1 970 97 97 VAL HG1 H 1.097 0.002 1 971 97 97 VAL HG2 H 1.275 0.003 1 972 97 97 VAL C C 174.776 0.100 1 973 97 97 VAL CA C 63.657 0.049 1 974 97 97 VAL CB C 31.128 0.058 1 975 97 97 VAL CG1 C 23.713 0.035 1 976 97 97 VAL CG2 C 23.289 0.022 1 977 97 97 VAL N N 122.328 0.166 1 978 98 98 LEU H H 9.245 0.005 1 979 98 98 LEU HA H 5.050 0.007 1 980 98 98 LEU HB2 H 1.864 0.002 2 981 98 98 LEU HB3 H 1.659 0.004 2 982 98 98 LEU HG H 1.482 0.001 1 983 98 98 LEU HD1 H 0.560 0.004 1 984 98 98 LEU HD2 H 1.026 0.003 1 985 98 98 LEU CA C 52.823 0.074 1 986 98 98 LEU CB C 46.118 0.049 1 987 98 98 LEU CG C 26.899 0.094 1 988 98 98 LEU CD1 C 25.012 0.026 1 989 98 98 LEU CD2 C 23.380 0.015 1 990 98 98 LEU N N 130.258 0.039 1 991 99 99 PRO HA H 4.779 0.008 1 992 99 99 PRO HB2 H 2.562 0.004 2 993 99 99 PRO HB3 H 1.847 0.006 2 994 99 99 PRO HG2 H 2.196 0.003 2 995 99 99 PRO HD2 H 3.761 0.009 2 996 99 99 PRO HD3 H 3.714 0.013 2 997 99 99 PRO CA C 61.489 0.095 1 998 99 99 PRO CB C 30.454 0.074 1 999 99 99 PRO CG C 28.245 0.080 1 1000 99 99 PRO CD C 50.595 0.070 1 1001 100 100 PRO HA H 3.985 0.010 1 1002 100 100 PRO HB2 H 2.308 0.003 2 1003 100 100 PRO HB3 H 2.067 0.005 2 1004 100 100 PRO HG2 H 2.143 0.010 2 1005 100 100 PRO HG3 H 1.990 0.003 2 1006 100 100 PRO HD2 H 3.806 0.007 2 1007 100 100 PRO HD3 H 3.637 0.003 2 1008 100 100 PRO C C 177.309 0.100 1 1009 100 100 PRO CA C 63.824 0.072 1 1010 100 100 PRO CB C 32.105 0.151 1 1011 100 100 PRO CG C 28.305 0.052 1 1012 100 100 PRO CD C 50.119 0.051 1 1013 101 101 ASN H H 7.273 0.012 1 1014 101 101 ASN HA H 4.542 0.011 1 1015 101 101 ASN HB2 H 2.442 0.004 2 1016 101 101 ASN HB3 H 2.170 0.008 2 1017 101 101 ASN HD21 H 6.679 0.005 2 1018 101 101 ASN HD22 H 6.802 0.007 2 1019 101 101 ASN C C 171.920 0.100 1 1020 101 101 ASN CA C 53.200 0.085 1 1021 101 101 ASN CB C 37.625 0.058 1 1022 101 101 ASN N N 119.284 0.042 1 1023 101 101 ASN ND2 N 109.354 0.070 1 1024 102 102 ASN H H 8.197 0.006 1 1025 102 102 ASN HA H 3.918 0.006 1 1026 102 102 ASN HB2 H 2.733 0.009 2 1027 102 102 ASN HB3 H 2.519 0.007 2 1028 102 102 ASN HD21 H 6.703 0.004 2 1029 102 102 ASN HD22 H 7.429 0.004 2 1030 102 102 ASN C C 173.264 0.100 1 1031 102 102 ASN CA C 54.039 0.072 1 1032 102 102 ASN CB C 36.982 0.082 1 1033 102 102 ASN N N 115.674 0.013 1 1034 102 102 ASN ND2 N 114.436 0.029 1 1035 103 103 TYR H H 7.745 0.005 1 1036 103 103 TYR HA H 4.485 0.001 1 1037 103 103 TYR HB2 H 3.187 0.012 2 1038 103 103 TYR HB3 H 2.927 0.008 2 1039 103 103 TYR HD1 H 7.312 0.010 3 1040 103 103 TYR HD2 H 7.312 0.010 3 1041 103 103 TYR HE1 H 7.040 0.010 3 1042 103 103 TYR HE2 H 7.040 0.010 3 1043 103 103 TYR C C 175.248 0.100 1 1044 103 103 TYR CA C 57.490 0.121 1 1045 103 103 TYR CB C 37.532 0.098 1 1046 103 103 TYR CD2 C 132.932 0.019 3 1047 103 103 TYR CE2 C 119.213 0.100 3 1048 103 103 TYR N N 118.775 0.016 1 1049 104 104 VAL H H 7.498 0.008 1 1050 104 104 VAL HA H 4.977 0.005 1 1051 104 104 VAL HB H 1.706 0.005 1 1052 104 104 VAL HG1 H 0.440 0.003 1 1053 104 104 VAL HG2 H -0.022 0.004 1 1054 104 104 VAL C C 174.361 0.100 1 1055 104 104 VAL CA C 58.251 0.098 1 1056 104 104 VAL CB C 35.543 0.089 1 1057 104 104 VAL CG1 C 17.680 0.035 1 1058 104 104 VAL CG2 C 20.133 0.017 1 1059 104 104 VAL N N 116.205 0.027 1 1060 105 105 TRP H H 8.926 0.009 1 1061 105 105 TRP HA H 4.875 0.005 1 1062 105 105 TRP HB2 H 3.082 0.005 2 1063 105 105 TRP HB3 H 2.194 0.008 2 1064 105 105 TRP HD1 H 7.248 0.003 1 1065 105 105 TRP HE1 H 9.828 0.005 1 1066 105 105 TRP HE3 H 7.676 0.005 1 1067 105 105 TRP HZ2 H 7.023 0.004 1 1068 105 105 TRP HZ3 H 6.631 0.005 1 1069 105 105 TRP HH2 H 6.698 0.008 1 1070 105 105 TRP C C 175.526 0.100 1 1071 105 105 TRP CA C 54.884 0.040 1 1072 105 105 TRP CB C 32.539 0.034 1 1073 105 105 TRP CD1 C 129.459 0.037 1 1074 105 105 TRP CE3 C 123.584 0.086 1 1075 105 105 TRP CZ2 C 113.415 0.067 1 1076 105 105 TRP CZ3 C 118.120 0.005 1 1077 105 105 TRP CH2 C 122.818 0.013 1 1078 105 105 TRP N N 119.557 0.016 1 1079 105 105 TRP NE1 N 128.494 0.023 1 1080 106 106 THR H H 9.525 0.010 1 1081 106 106 THR HA H 4.966 0.007 1 1082 106 106 THR HB H 3.999 0.004 1 1083 106 106 THR HG2 H 1.302 0.005 1 1084 106 106 THR C C 174.177 0.100 1 1085 106 106 THR CA C 62.091 0.047 1 1086 106 106 THR CB C 69.649 0.272 1 1087 106 106 THR CG2 C 22.515 0.074 1 1088 106 106 THR N N 120.480 0.037 1 1089 107 107 LEU H H 7.591 0.008 1 1090 107 107 LEU HA H 4.827 0.010 1 1091 107 107 LEU HB2 H 1.364 0.007 2 1092 107 107 LEU HB3 H 0.785 0.008 2 1093 107 107 LEU HG H 1.126 0.004 1 1094 107 107 LEU HD1 H -0.129 0.002 1 1095 107 107 LEU HD2 H -0.026 0.003 1 1096 107 107 LEU CA C 53.709 0.017 1 1097 107 107 LEU CB C 41.523 0.067 1 1098 107 107 LEU CG C 27.736 0.067 1 1099 107 107 LEU CD1 C 24.478 0.047 1 1100 107 107 LEU CD2 C 25.476 0.052 1 1101 107 107 LEU N N 127.146 0.062 1 1102 108 108 THR H H 8.141 0.010 1 1103 108 108 THR HA H 4.411 0.007 1 1104 108 108 THR HB H 4.084 0.001 1 1105 108 108 THR HG2 H 1.135 0.003 1 1106 108 108 THR C C 173.319 0.100 1 1107 108 108 THR CA C 62.243 0.076 1 1108 108 108 THR CB C 70.138 0.226 1 1109 108 108 THR CG2 C 21.680 0.092 1 1110 108 108 THR N N 119.928 0.094 1 1111 109 109 LEU H H 8.924 0.008 1 1112 109 109 LEU HA H 3.545 0.008 1 1113 109 109 LEU HB2 H 1.686 0.007 2 1114 109 109 LEU HB3 H 0.896 0.009 2 1115 109 109 LEU HG H 1.139 0.004 1 1116 109 109 LEU HD1 H 0.751 0.004 1 1117 109 109 LEU HD2 H 0.205 0.006 1 1118 109 109 LEU C C 175.217 0.100 1 1119 109 109 LEU CA C 55.286 0.056 1 1120 109 109 LEU CB C 40.606 0.078 1 1121 109 109 LEU CG C 26.245 0.040 1 1122 109 109 LEU CD1 C 25.943 0.058 2 1123 109 109 LEU CD2 C 21.353 0.022 2 1124 109 109 LEU N N 130.557 0.073 1 1125 110 110 THR H H 7.677 0.007 1 1126 110 110 THR HA H 4.911 0.001 1 1127 110 110 THR HB H 4.584 0.006 1 1128 110 110 THR HG2 H 1.205 0.001 1 1129 110 110 THR CA C 60.141 0.100 1 1130 110 110 THR CB C 72.785 0.104 1 1131 110 110 THR CG2 C 21.530 0.020 1 1132 110 110 THR N N 120.160 0.035 1 1133 111 111 SER HA H 4.204 0.005 1 1134 111 111 SER HB2 H 3.983 0.007 2 1135 111 111 SER HB3 H 3.954 0.015 2 1136 111 111 SER C C 174.755 0.100 1 1137 111 111 SER CA C 60.710 0.056 1 1138 111 111 SER CB C 62.660 0.090 1 1139 112 112 GLY H H 8.249 0.006 1 1140 112 112 GLY HA2 H 4.394 0.007 2 1141 112 112 GLY HA3 H 3.698 0.007 2 1142 112 112 GLY C C 173.023 0.100 1 1143 112 112 GLY CA C 44.150 0.084 1 1144 112 112 GLY N N 107.313 0.018 1 1145 113 113 GLY H H 7.444 0.006 1 1146 113 113 GLY HA2 H 3.914 0.007 2 1147 113 113 GLY HA3 H 4.693 0.010 2 1148 113 113 GLY C C 175.844 0.100 1 1149 113 113 GLY CA C 42.759 0.073 1 1150 113 113 GLY N N 105.618 0.026 1 1151 114 114 TYR H H 9.677 0.004 1 1152 114 114 TYR HA H 4.852 0.012 1 1153 114 114 TYR HB2 H 2.787 0.017 2 1154 114 114 TYR HB3 H 2.200 0.007 2 1155 114 114 TYR HD1 H 6.712 0.009 3 1156 114 114 TYR HD2 H 6.712 0.009 3 1157 114 114 TYR HE1 H 6.676 0.010 3 1158 114 114 TYR HE2 H 6.676 0.010 3 1159 114 114 TYR C C 175.605 0.100 1 1160 114 114 TYR CA C 61.263 0.116 1 1161 114 114 TYR CB C 38.933 0.183 1 1162 114 114 TYR CD2 C 132.133 0.029 3 1163 114 114 TYR CE2 C 118.663 0.100 3 1164 114 114 TYR N N 121.548 0.040 1 1165 115 115 ASN H H 9.350 0.008 1 1166 115 115 ASN HA H 5.098 0.007 1 1167 115 115 ASN HB2 H 2.994 0.012 2 1168 115 115 ASN HB3 H 2.269 0.016 2 1169 115 115 ASN HD21 H 6.605 0.002 2 1170 115 115 ASN HD22 H 7.250 0.001 2 1171 115 115 ASN C C 174.355 0.100 1 1172 115 115 ASN CA C 51.046 0.038 1 1173 115 115 ASN CB C 40.349 0.231 1 1174 115 115 ASN N N 123.274 0.037 1 1175 115 115 ASN ND2 N 107.865 0.024 1 1176 116 116 ILE H H 9.473 0.014 1 1177 116 116 ILE HA H 4.239 0.004 1 1178 116 116 ILE HB H 0.467 0.006 1 1179 116 116 ILE HG12 H 0.954 0.007 2 1180 116 116 ILE HG13 H -0.026 0.010 2 1181 116 116 ILE HG2 H -1.447 0.006 1 1182 116 116 ILE HD1 H -0.866 0.006 1 1183 116 116 ILE C C 173.998 0.100 1 1184 116 116 ILE CA C 62.199 0.064 1 1185 116 116 ILE CB C 37.100 0.192 1 1186 116 116 ILE CG1 C 26.048 0.042 1 1187 116 116 ILE CG2 C 13.041 0.006 1 1188 116 116 ILE CD1 C 11.665 0.031 1 1189 116 116 ILE N N 130.611 0.022 1 1190 117 117 GLN H H 8.781 0.020 1 1191 117 117 GLN HA H 5.935 0.009 1 1192 117 117 GLN HB2 H 2.064 0.010 2 1193 117 117 GLN HB3 H 2.551 0.007 2 1194 117 117 GLN HG2 H 2.628 0.007 2 1195 117 117 GLN HG3 H 1.843 0.005 2 1196 117 117 GLN HE21 H 6.720 0.002 2 1197 117 117 GLN HE22 H 6.959 0.011 2 1198 117 117 GLN C C 177.902 0.100 1 1199 117 117 GLN CA C 53.320 0.036 1 1200 117 117 GLN CB C 37.457 0.075 1 1201 117 117 GLN CG C 35.539 0.052 1 1202 117 117 GLN N N 121.633 0.017 1 1203 117 117 GLN NE2 N 111.394 0.045 1 1204 118 118 ASP H H 9.330 0.006 1 1205 118 118 ASP HA H 4.783 0.008 1 1206 118 118 ASP HB2 H 3.078 0.007 2 1207 118 118 ASP HB3 H 2.691 0.001 2 1208 118 118 ASP C C 178.084 0.100 1 1209 118 118 ASP CA C 54.770 0.043 1 1210 118 118 ASP CB C 40.368 0.028 1 1211 118 118 ASP N N 116.836 0.019 1 1212 119 119 GLY H H 8.986 0.004 1 1213 119 119 GLY HA2 H 3.800 0.006 2 1214 119 119 GLY HA3 H 3.627 0.013 2 1215 119 119 GLY C C 174.196 0.100 1 1216 119 119 GLY CA C 46.976 0.097 1 1217 119 119 GLY N N 111.037 0.051 1 1218 120 120 LYS H H 7.045 0.008 1 1219 120 120 LYS HA H 4.349 0.006 1 1220 120 120 LYS HB2 H 2.035 0.008 2 1221 120 120 LYS HB3 H 1.832 0.004 2 1222 120 120 LYS HG2 H 1.526 0.005 2 1223 120 120 LYS HG3 H 1.393 0.009 2 1224 120 120 LYS HD2 H 1.683 0.003 2 1225 120 120 LYS HD3 H 1.683 0.003 2 1226 120 120 LYS HE2 H 2.991 0.007 2 1227 120 120 LYS HE3 H 2.991 0.007 2 1228 120 120 LYS C C 175.174 0.100 1 1229 120 120 LYS CA C 55.933 0.100 1 1230 120 120 LYS CB C 32.476 0.056 1 1231 120 120 LYS CG C 25.438 0.075 1 1232 120 120 LYS CD C 28.962 0.113 1 1233 120 120 LYS CE C 42.191 0.052 1 1234 120 120 LYS N N 114.809 0.024 1 1235 121 121 ARG H H 7.683 0.009 1 1236 121 121 ARG HA H 3.586 0.007 1 1237 121 121 ARG HB2 H 2.130 0.008 2 1238 121 121 ARG HB3 H 1.819 0.005 2 1239 121 121 ARG HG2 H 1.583 0.006 2 1240 121 121 ARG HG3 H 1.344 0.006 2 1241 121 121 ARG HD2 H 3.257 0.006 1 1242 121 121 ARG HD3 H 3.257 0.006 1 1243 121 121 ARG HE H 7.200 0.002 1 1244 121 121 ARG C C 175.097 0.100 1 1245 121 121 ARG CA C 58.069 0.066 1 1246 121 121 ARG CB C 26.623 0.070 1 1247 121 121 ARG CG C 27.296 0.046 1 1248 121 121 ARG CD C 43.946 0.127 1 1249 121 121 ARG N N 116.291 0.021 1 1250 121 121 ARG NE N 85.174 0.012 1 1251 122 122 THR H H 11.059 0.007 1 1252 122 122 THR HA H 4.540 0.005 1 1253 122 122 THR HB H 4.219 0.002 1 1254 122 122 THR HG2 H 1.192 0.005 1 1255 122 122 THR C C 175.302 0.100 1 1256 122 122 THR CA C 62.871 0.087 1 1257 122 122 THR CB C 71.552 0.053 1 1258 122 122 THR CG2 C 22.413 0.115 1 1259 122 122 THR N N 113.730 0.023 1 1260 123 123 VAL H H 8.181 0.007 1 1261 123 123 VAL HA H 4.810 0.008 1 1262 123 123 VAL HB H 2.077 0.004 1 1263 123 123 VAL HG1 H 1.009 0.005 1 1264 123 123 VAL HG2 H 0.557 0.006 1 1265 123 123 VAL C C 174.730 0.100 1 1266 123 123 VAL CA C 60.311 0.087 1 1267 123 123 VAL CB C 37.082 0.125 1 1268 123 123 VAL CG1 C 22.465 0.045 1 1269 123 123 VAL CG2 C 18.583 0.024 1 1270 123 123 VAL N N 118.350 0.034 1 1271 124 124 SER H H 9.138 0.005 1 1272 124 124 SER HA H 5.820 0.008 1 1273 124 124 SER HB2 H 4.181 0.008 2 1274 124 124 SER HB3 H 3.363 0.010 2 1275 124 124 SER C C 175.521 0.100 1 1276 124 124 SER CA C 58.087 0.037 1 1277 124 124 SER CB C 67.405 0.183 1 1278 124 124 SER N N 113.053 0.019 1 1279 125 125 TRP H H 8.843 0.011 1 1280 125 125 TRP HA H 5.610 0.005 1 1281 125 125 TRP HB2 H 2.906 0.010 1 1282 125 125 TRP HB3 H 2.906 0.010 1 1283 125 125 TRP HD1 H 6.231 0.006 1 1284 125 125 TRP HE1 H 6.074 0.012 1 1285 125 125 TRP HE3 H 5.733 0.003 1 1286 125 125 TRP HZ2 H 4.766 0.003 1 1287 125 125 TRP HZ3 H 5.791 0.004 1 1288 125 125 TRP HH2 H 5.868 0.002 1 1289 125 125 TRP C C 178.114 0.100 1 1290 125 125 TRP CA C 55.474 0.034 1 1291 125 125 TRP CB C 30.023 0.182 1 1292 125 125 TRP CD1 C 120.897 0.018 1 1293 125 125 TRP CE3 C 118.965 0.084 1 1294 125 125 TRP CZ2 C 111.689 0.100 1 1295 125 125 TRP CZ3 C 120.449 0.025 1 1296 125 125 TRP CH2 C 122.898 0.013 1 1297 125 125 TRP N N 124.900 0.054 1 1298 125 125 TRP NE1 N 123.911 0.021 1 1299 126 126 SER H H 9.835 0.008 1 1300 126 126 SER HA H 5.443 0.006 1 1301 126 126 SER HB2 H 3.865 0.009 2 1302 126 126 SER HB3 H 3.705 0.012 2 1303 126 126 SER C C 171.668 0.100 1 1304 126 126 SER CA C 58.696 0.044 1 1305 126 126 SER CB C 66.176 0.169 1 1306 126 126 SER N N 119.243 0.042 1 1307 127 127 LEU H H 6.559 0.011 1 1308 127 127 LEU HA H 5.155 0.008 1 1309 127 127 LEU HB2 H 1.838 0.005 2 1310 127 127 LEU HB3 H 1.239 0.006 2 1311 127 127 LEU HG H 1.607 0.003 1 1312 127 127 LEU HD1 H 1.048 0.009 1 1313 127 127 LEU HD2 H 0.701 0.006 1 1314 127 127 LEU C C 176.563 0.100 1 1315 127 127 LEU CA C 52.645 0.066 1 1316 127 127 LEU CB C 43.696 0.127 1 1317 127 127 LEU CG C 27.082 0.050 1 1318 127 127 LEU CD1 C 23.346 0.053 1 1319 127 127 LEU CD2 C 26.826 0.062 1 1320 127 127 LEU N N 113.708 0.069 1 1321 128 128 ASN H H 8.662 0.007 1 1322 128 128 ASN HA H 4.689 0.003 1 1323 128 128 ASN HB2 H 2.872 0.008 2 1324 128 128 ASN HB3 H 2.761 0.006 2 1325 128 128 ASN HD21 H 6.812 0.016 2 1326 128 128 ASN HD22 H 7.632 0.008 2 1327 128 128 ASN C C 175.452 0.100 1 1328 128 128 ASN CA C 56.007 0.048 1 1329 128 128 ASN CB C 39.291 0.089 1 1330 128 128 ASN CG C 176.370 0.002 1 1331 128 128 ASN N N 121.739 0.024 1 1332 128 128 ASN ND2 N 113.407 0.013 1 1333 129 129 ASN H H 10.962 0.009 1 1334 129 129 ASN HA H 4.997 0.007 1 1335 129 129 ASN HB2 H 2.686 0.006 2 1336 129 129 ASN HB3 H 2.589 0.007 2 1337 129 129 ASN HD21 H 6.892 0.006 2 1338 129 129 ASN HD22 H 7.496 0.006 2 1339 129 129 ASN C C 175.900 0.100 1 1340 129 129 ASN CA C 54.233 0.069 1 1341 129 129 ASN CB C 41.256 0.048 1 1342 129 129 ASN N N 119.586 0.029 1 1343 129 129 ASN ND2 N 114.327 0.045 1 1344 130 130 ALA H H 10.629 0.006 1 1345 130 130 ALA HA H 3.570 0.006 1 1346 130 130 ALA HB H 0.716 0.010 1 1347 130 130 ALA C C 172.620 0.100 1 1348 130 130 ALA CA C 52.639 0.048 1 1349 130 130 ALA CB C 16.100 0.062 1 1350 130 130 ALA N N 128.292 0.035 1 1351 131 131 THR H H 7.092 0.006 1 1352 131 131 THR HA H 4.462 0.005 1 1353 131 131 THR HB H 4.193 0.004 1 1354 131 131 THR HG2 H 0.972 0.007 1 1355 131 131 THR C C 173.552 0.100 1 1356 131 131 THR CA C 58.338 0.034 1 1357 131 131 THR CB C 71.569 0.078 1 1358 131 131 THR CG2 C 22.163 0.016 1 1359 131 131 THR N N 105.584 0.021 1 1360 132 132 ALA H H 8.952 0.006 1 1361 132 132 ALA HA H 3.749 0.007 1 1362 132 132 ALA HB H 1.419 0.007 1 1363 132 132 ALA C C 178.819 0.100 1 1364 132 132 ALA CA C 54.284 0.067 1 1365 132 132 ALA CB C 18.227 0.090 1 1366 132 132 ALA N N 121.773 0.042 1 1367 133 133 GLY H H 9.016 0.005 1 1368 133 133 GLY HA2 H 4.268 0.006 2 1369 133 133 GLY HA3 H 3.848 0.004 2 1370 133 133 GLY C C 173.453 0.100 1 1371 133 133 GLY CA C 45.166 0.057 1 1372 133 133 GLY N N 113.965 0.025 1 1373 134 134 GLU H H 7.598 0.006 1 1374 134 134 GLU HA H 3.958 0.007 1 1375 134 134 GLU HB2 H 2.113 0.001 2 1376 134 134 GLU HB3 H 2.153 0.008 2 1377 134 134 GLU HG2 H 2.805 0.006 2 1378 134 134 GLU HG3 H 2.323 0.004 2 1379 134 134 GLU C C 176.120 0.100 1 1380 134 134 GLU CA C 57.399 0.053 1 1381 134 134 GLU CB C 31.385 0.125 1 1382 134 134 GLU CG C 36.444 0.051 1 1383 134 134 GLU N N 123.460 0.014 1 1384 135 135 GLU H H 8.258 0.009 1 1385 135 135 GLU HA H 4.311 0.008 1 1386 135 135 GLU HB2 H 1.904 0.004 2 1387 135 135 GLU HB3 H 1.864 0.006 2 1388 135 135 GLU HG2 H 2.437 0.010 2 1389 135 135 GLU HG3 H 2.102 0.003 2 1390 135 135 GLU C C 176.014 0.100 1 1391 135 135 GLU CA C 56.182 0.062 1 1392 135 135 GLU CB C 29.453 0.085 1 1393 135 135 GLU CG C 36.241 0.055 1 1394 135 135 GLU N N 122.633 0.033 1 1395 136 136 VAL H H 7.267 0.010 1 1396 136 136 VAL HA H 3.692 0.005 1 1397 136 136 VAL HB H 1.064 0.006 1 1398 136 136 VAL HG1 H 0.687 0.004 1 1399 136 136 VAL HG2 H 0.427 0.003 1 1400 136 136 VAL C C 173.932 0.100 1 1401 136 136 VAL CA C 63.832 0.219 1 1402 136 136 VAL CB C 31.864 0.065 1 1403 136 136 VAL CG1 C 22.879 0.017 1 1404 136 136 VAL CG2 C 21.387 0.017 1 1405 136 136 VAL N N 123.635 0.022 1 1406 137 137 SER H H 8.454 0.008 1 1407 137 137 SER HA H 4.887 0.006 1 1408 137 137 SER HB2 H 3.749 0.003 2 1409 137 137 SER HB3 H 3.688 0.002 2 1410 137 137 SER C C 173.780 0.100 1 1411 137 137 SER CA C 57.895 0.026 1 1412 137 137 SER CB C 65.027 0.177 1 1413 137 137 SER N N 118.950 0.030 1 1414 138 138 ILE H H 7.915 0.010 1 1415 138 138 ILE HA H 4.248 0.012 1 1416 138 138 ILE HB H 0.976 0.004 1 1417 138 138 ILE HG12 H 0.835 0.008 2 1418 138 138 ILE HG13 H 0.067 0.001 2 1419 138 138 ILE HG2 H 0.024 0.010 1 1420 138 138 ILE HD1 H -0.049 0.006 1 1421 138 138 ILE C C 176.142 0.100 1 1422 138 138 ILE CA C 60.850 0.062 1 1423 138 138 ILE CB C 38.595 0.120 1 1424 138 138 ILE CG1 C 26.772 0.060 1 1425 138 138 ILE CG2 C 18.023 0.055 1 1426 138 138 ILE CD1 C 14.037 0.036 1 1427 138 138 ILE N N 123.511 0.057 1 1428 139 139 GLY H H 8.490 0.009 1 1429 139 139 GLY HA2 H 4.155 0.005 2 1430 139 139 GLY HA3 H 3.955 0.006 2 1431 139 139 GLY C C 171.947 0.100 1 1432 139 139 GLY CA C 47.086 0.061 1 1433 139 139 GLY N N 115.638 0.022 1 1434 140 140 ALA H H 8.531 0.008 1 1435 140 140 ALA HA H 4.396 0.005 1 1436 140 140 ALA HB H 1.448 0.006 1 1437 140 140 ALA C C 177.956 0.100 1 1438 140 140 ALA CA C 52.646 0.043 1 1439 140 140 ALA CB C 19.204 0.067 1 1440 140 140 ALA N N 128.563 0.028 1 1441 141 141 ASP H H 8.507 0.006 1 1442 141 141 ASP HA H 4.598 0.001 1 1443 141 141 ASP HB2 H 2.626 0.009 2 1444 141 141 ASP HB3 H 2.626 0.009 2 1445 141 141 ASP C C 175.411 0.100 1 1446 141 141 ASP CA C 53.916 0.110 1 1447 141 141 ASP CB C 40.692 0.098 1 1448 141 141 ASP N N 120.886 0.041 1 1449 142 142 ALA H H 7.894 0.006 1 1450 142 142 ALA HA H 4.517 0.013 1 1451 142 142 ALA HB H 1.362 0.004 1 1452 142 142 ALA C C 177.671 0.100 1 1453 142 142 ALA CA C 51.993 0.092 1 1454 142 142 ALA CB C 21.535 0.081 1 1455 142 142 ALA N N 125.604 0.017 1 1456 143 143 THR H H 8.268 0.007 1 1457 143 143 THR HA H 3.744 0.005 1 1458 143 143 THR HB H 3.852 0.008 1 1459 143 143 THR HG2 H 0.660 0.009 1 1460 143 143 THR C C 175.464 0.100 1 1461 143 143 THR CA C 64.548 0.078 1 1462 143 143 THR CB C 69.305 0.177 1 1463 143 143 THR CG2 C 21.195 0.072 1 1464 143 143 THR N N 118.085 0.050 1 1465 144 144 PHE H H 8.719 0.005 1 1466 144 144 PHE HA H 4.346 0.006 1 1467 144 144 PHE HB2 H 3.154 0.008 2 1468 144 144 PHE HB3 H 2.734 0.006 2 1469 144 144 PHE HD1 H 7.193 0.004 3 1470 144 144 PHE HD2 H 7.193 0.004 3 1471 144 144 PHE HE1 H 7.404 0.007 3 1472 144 144 PHE HE2 H 7.404 0.007 3 1473 144 144 PHE HZ H 7.276 0.007 1 1474 144 144 PHE C C 176.209 0.100 1 1475 144 144 PHE CA C 61.462 0.177 1 1476 144 144 PHE CB C 39.604 0.041 1 1477 144 144 PHE CD1 C 131.478 0.128 3 1478 144 144 PHE CE1 C 131.641 0.073 3 1479 144 144 PHE CZ C 130.478 0.124 1 1480 144 144 PHE N N 118.635 0.043 1 1481 145 145 SER H H 8.657 0.008 1 1482 145 145 SER HA H 4.866 0.005 1 1483 145 145 SER HB3 H 3.250 0.005 2 1484 145 145 SER C C 176.605 0.100 1 1485 145 145 SER CA C 59.432 0.032 1 1486 145 145 SER CB C 62.167 0.095 1 1487 145 145 SER N N 113.446 0.087 1 1488 146 146 GLY H H 7.467 0.012 1 1489 146 146 GLY HA2 H 5.149 0.011 2 1490 146 146 GLY HA3 H 4.016 0.010 2 1491 146 146 GLY C C 174.293 0.100 1 1492 146 146 GLY CA C 44.940 0.074 1 1493 146 146 GLY N N 109.277 0.021 1 1494 147 147 ARG H H 7.556 0.005 1 1495 147 147 ARG HA H 5.441 0.007 1 1496 147 147 ARG HB3 H 1.518 0.016 2 1497 147 147 ARG HD2 H 2.983 0.010 2 1498 147 147 ARG HE H 6.781 0.004 1 1499 147 147 ARG C C 173.849 0.100 1 1500 147 147 ARG CA C 52.227 0.039 1 1501 147 147 ARG CB C 32.597 0.065 1 1502 147 147 ARG CD C 43.328 0.100 1 1503 147 147 ARG N N 122.863 0.025 1 1504 147 147 ARG NE N 82.797 0.001 1 1505 148 148 TRP H H 8.709 0.010 1 1506 148 148 TRP HA H 4.846 0.009 1 1507 148 148 TRP HB2 H 2.951 0.011 2 1508 148 148 TRP HB3 H 2.405 0.009 2 1509 148 148 TRP HD1 H 7.473 0.008 1 1510 148 148 TRP HE1 H 9.418 0.010 1 1511 148 148 TRP HE3 H 7.199 0.003 1 1512 148 148 TRP HZ2 H 6.889 0.009 1 1513 148 148 TRP HZ3 H 6.850 0.003 1 1514 148 148 TRP HH2 H 6.833 0.001 1 1515 148 148 TRP C C 174.353 0.100 1 1516 148 148 TRP CA C 55.662 0.059 1 1517 148 148 TRP CB C 31.999 0.082 1 1518 148 148 TRP CD1 C 129.672 0.073 1 1519 148 148 TRP CE3 C 121.338 0.057 1 1520 148 148 TRP CZ2 C 112.737 0.040 1 1521 148 148 TRP CZ3 C 119.459 0.068 1 1522 148 148 TRP CH2 C 122.596 0.018 1 1523 148 148 TRP N N 118.465 0.060 1 1524 148 148 TRP NE1 N 129.589 0.021 1 1525 149 149 VAL H H 9.700 0.007 1 1526 149 149 VAL HA H 4.143 0.007 1 1527 149 149 VAL HB H 0.440 0.003 1 1528 149 149 VAL HG1 H 0.632 0.002 1 1529 149 149 VAL HG2 H 0.437 0.004 1 1530 149 149 VAL C C 173.613 0.100 1 1531 149 149 VAL CA C 61.740 0.054 1 1532 149 149 VAL CB C 32.383 0.154 1 1533 149 149 VAL CG1 C 21.796 0.034 1 1534 149 149 VAL CG2 C 19.365 0.046 1 1535 149 149 VAL N N 125.852 0.033 1 1536 150 150 ILE H H 7.747 0.005 1 1537 150 150 ILE HA H 4.862 0.006 1 1538 150 150 ILE HB H 1.058 0.001 1 1539 150 150 ILE HG12 H 0.984 0.013 2 1540 150 150 ILE HG13 H 0.508 0.001 2 1541 150 150 ILE HG2 H 0.127 0.004 1 1542 150 150 ILE HD1 H -0.546 0.003 1 1543 150 150 ILE C C 175.661 0.100 1 1544 150 150 ILE CA C 60.821 0.044 1 1545 150 150 ILE CB C 38.820 0.102 1 1546 150 150 ILE CG1 C 26.811 0.064 1 1547 150 150 ILE CG2 C 16.938 0.018 1 1548 150 150 ILE CD1 C 11.747 0.050 1 1549 150 150 ILE N N 125.140 0.061 1 1550 151 151 GLU H H 8.892 0.007 1 1551 151 151 GLU HA H 4.880 0.006 1 1552 151 151 GLU HB2 H 2.120 0.003 2 1553 151 151 GLU HB3 H 1.953 0.003 2 1554 151 151 GLU HG2 H 2.312 0.002 2 1555 151 151 GLU HG3 H 2.246 0.006 2 1556 151 151 GLU C C 174.424 0.100 1 1557 151 151 GLU CA C 54.796 0.063 1 1558 151 151 GLU CB C 34.251 0.048 1 1559 151 151 GLU CG C 36.831 0.042 1 1560 151 151 GLU N N 126.762 0.013 1 1561 152 152 LYS H H 8.640 0.006 1 1562 152 152 LYS HA H 3.861 0.007 1 1563 152 152 LYS HB2 H 1.734 0.002 2 1564 152 152 LYS HB3 H 1.607 0.006 2 1565 152 152 LYS HG2 H 1.334 0.003 2 1566 152 152 LYS HG3 H 1.223 0.002 2 1567 152 152 LYS HD2 H 1.588 0.004 1 1568 152 152 LYS HD3 H 1.588 0.004 1 1569 152 152 LYS HE2 H 2.982 0.009 1 1570 152 152 LYS HE3 H 2.982 0.009 1 1571 152 152 LYS C C 176.282 0.100 1 1572 152 152 LYS CA C 57.505 0.130 1 1573 152 152 LYS CB C 33.336 0.085 1 1574 152 152 LYS CG C 25.160 0.044 1 1575 152 152 LYS CD C 29.314 0.048 1 1576 152 152 LYS CE C 42.415 0.067 1 1577 152 152 LYS N N 126.299 0.011 1 1578 153 153 VAL H H 7.869 0.005 1 1579 153 153 VAL HA H 4.034 0.009 1 1580 153 153 VAL HB H 1.949 0.002 1 1581 153 153 VAL HG1 H 0.859 0.001 1 1582 153 153 VAL HG2 H 0.795 0.001 1 1583 153 153 VAL CA C 63.682 0.060 1 1584 153 153 VAL CB C 33.419 0.033 1 1585 153 153 VAL CG1 C 21.709 0.024 1 1586 153 153 VAL CG2 C 20.752 0.025 1 1587 153 153 VAL N N 127.796 0.025 1 stop_ save_