data_15719 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the central region (131-28) of human h1 calponin ; _BMRB_accession_number 15719 _BMRB_flat_file_name bmr15719.str _Entry_type original _Submission_date 2008-04-07 _Accession_date 2008-04-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Almost complete backbone + sidechain assignment of 15N/13C labelled human h1 calponin containing actin and calmodulin binding sites.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pfuhl Mark . . 2 'El Mezgueldi' Mohammed . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 379 "13C chemical shifts" 307 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-19 update BMRB 'update entry citation' 2008-05-05 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 4880 'N-terminus of Calponin' stop_ save_ ############################# # Citation for this entry # ############################# save_reference_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The calponin regulatory region is intrinsically unstructured: novel insight into actin-calponin and calmodulin-calponin interfaces using NMR spectroscopy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21463585 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pfuhl Mark . . 2 Al-Sarayreh Sameeh . . 3 El-Mezgueldi Mohammed . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_name_full 'Biophysical journal' _Journal_volume 100 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1718 _Page_last 1728 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'calponin monomer' _Enzyme_commission_number n.a. loop_ _Mol_system_component_name _Mol_label 'calponin h1 131-228' $calponin stop_ _System_molecular_weight 10807.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'calponin h1 131-228' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_calponin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common calponin _Molecular_mass 10807.3 _Mol_thiol_state 'not present' loop_ _Biological_function 'actin binding' 'regulation of smooth muscle contraction' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; AKTKGNKVNVGVKYAEKQER RFEPEKLREGRNIIGLQMGI NKFASQQGMTAYGTRRHLYD PKLGTDQPLDQATISLQMGT NKGASQAGMTAPGTKRQI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 131 ALA 2 132 LYS 3 133 THR 4 134 LYS 5 135 GLY 6 136 ASN 7 137 LYS 8 138 VAL 9 139 ASN 10 140 VAL 11 141 GLY 12 142 VAL 13 143 LYS 14 144 TYR 15 145 ALA 16 146 GLU 17 147 LYS 18 148 GLN 19 149 GLU 20 150 ARG 21 151 ARG 22 152 PHE 23 153 GLU 24 154 PRO 25 155 GLU 26 156 LYS 27 157 LEU 28 158 ARG 29 159 GLU 30 160 GLY 31 161 ARG 32 162 ASN 33 163 ILE 34 164 ILE 35 165 GLY 36 166 LEU 37 167 GLN 38 168 MET 39 169 GLY 40 170 ILE 41 171 ASN 42 172 LYS 43 173 PHE 44 174 ALA 45 175 SER 46 176 GLN 47 177 GLN 48 178 GLY 49 179 MET 50 180 THR 51 181 ALA 52 182 TYR 53 183 GLY 54 184 THR 55 185 ARG 56 186 ARG 57 187 HIS 58 188 LEU 59 189 TYR 60 190 ASP 61 191 PRO 62 192 LYS 63 193 LEU 64 194 GLY 65 195 THR 66 196 ASP 67 197 GLN 68 198 PRO 69 199 LEU 70 200 ASP 71 201 GLN 72 202 ALA 73 203 THR 74 204 ILE 75 205 SER 76 206 LEU 77 207 GLN 78 208 MET 79 209 GLY 80 210 THR 81 211 ASN 82 212 LYS 83 213 GLY 84 214 ALA 85 215 SER 86 216 GLN 87 217 ALA 88 218 GLY 89 219 MET 90 220 THR 91 221 ALA 92 222 PRO 93 223 GLY 94 224 THR 95 225 LYS 96 226 ARG 97 227 GLN 98 228 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 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 GB AAF18235 "calponin [Mustela putorius furo]" 88.78 169 97.70 98.85 8.60e-54 GB EDL25252 "calponin 1, isoform CRA_a, partial [Mus musculus]" 88.78 234 97.70 97.70 1.56e-52 GB EDL78231 "calponin 1, isoform CRA_b [Rattus norvegicus]" 88.78 247 97.70 97.70 1.75e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $calponin Human 9606 Eukaryota Metazoa Homo sapiens CNN1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $calponin 'recombinant technology' . Escherichia coli BL21 n.a. pET21b 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 $calponin 1.5 mM '[U-100% 15N]' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' DTT 2 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $calponin 1.0 mM '[U-100% 13C; U-100% 15N]' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' DTT 2 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' 'Karlsruhe, Germany' www.bruker.com stop_ loop_ _Task processing stop_ _Details . save_ save_CCPN_analysis _Saveframe_category software _Name CCPN_analysis _Version 1.1 loop_ _Vendor _Address _Electronic_address CCPN 'Cambridge, UK' http://www.ccpn.ac.uk/ stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_(H)C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CBCA)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCA)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CBCACO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 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' 0.4 0.01 M pH 7.0 0.05 pH pressure 1 . atm temperature 278 0.2 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 . indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPN_analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-15N TOCSY' '3D HNCO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'calponin h1 131-228' _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 1 131 1 ALA HA H 3.612 0.005 1 2 131 1 ALA HB H 1.361 0.005 1 3 131 1 ALA CA C 50.701 0.05 1 4 131 1 ALA CB C 17.357 0.05 1 5 132 2 LYS H H 8.012 0.005 1 6 132 2 LYS HA H 4.000 0.005 1 7 132 2 LYS HB2 H 1.746 0.005 2 8 132 2 LYS HB3 H 2.107 0.005 2 9 132 2 LYS CA C 54.590 0.05 1 10 132 2 LYS CB C 27.276 0.05 1 11 132 2 LYS CD C 31.156 0.05 1 12 132 2 LYS CE C 40.367 0.05 1 13 132 2 LYS CG C 22.982 0.05 1 14 132 2 LYS N N 119.885 0.05 1 15 133 3 THR H H 7.938 0.005 1 16 133 3 THR HA H 4.073 0.005 1 17 133 3 THR HB H 3.938 0.005 1 18 133 3 THR C C 176.356 0.05 1 19 133 3 THR CA C 60.061 0.05 1 20 133 3 THR CB C 68.301 0.05 1 21 133 3 THR CG2 C 19.889 0.05 1 22 133 3 THR N N 115.340 0.05 1 23 134 4 LYS H H 8.243 0.005 1 24 134 4 LYS HA H 3.991 0.005 1 25 134 4 LYS HB2 H 1.552 0.005 1 26 134 4 LYS HB3 H 1.552 0.005 1 27 134 4 LYS CA C 54.466 0.05 1 28 134 4 LYS CB C 31.320 0.05 1 29 134 4 LYS N N 123.662 0.05 1 30 135 5 GLY H H 8.199 0.005 1 31 135 5 GLY HA2 H 3.663 0.005 1 32 135 5 GLY HA3 H 3.663 0.005 1 33 135 5 GLY C C 176.882 0.05 1 34 135 5 GLY CA C 43.530 0.05 1 35 135 5 GLY N N 109.520 0.05 1 36 137 7 LYS HA H 4.034 0.005 1 37 137 7 LYS HB2 H 1.507 0.005 1 38 137 7 LYS HB3 H 1.507 0.005 1 39 137 7 LYS C C 174.452 0.05 1 40 137 7 LYS CA C 54.640 0.05 1 41 137 7 LYS CB C 31.224 0.05 1 42 137 7 LYS CD C 27.359 0.05 1 43 137 7 LYS CE C 40.348 0.05 1 44 137 7 LYS CG C 22.994 0.05 1 45 138 8 VAL H H 7.985 0.005 1 46 138 8 VAL HA H 3.778 0.005 1 47 138 8 VAL HB H 1.735 0.005 1 48 138 8 VAL HG1 H 0.620 0.005 1 49 138 8 VAL HG2 H 0.620 0.005 1 50 138 8 VAL C C 175.148 0.05 1 51 138 8 VAL CA C 60.560 0.05 1 52 138 8 VAL CB C 31.087 0.05 1 53 138 8 VAL CG1 C 18.850 0.05 1 54 138 8 VAL CG2 C 18.850 0.05 1 55 138 8 VAL N N 121.725 0.05 1 56 139 9 ASN H H 8.385 0.005 1 57 139 9 ASN HA H 4.444 0.005 1 58 139 9 ASN HB2 H 2.431 0.005 1 59 139 9 ASN HB3 H 2.431 0.005 1 60 139 9 ASN C C 175.791 0.05 1 61 139 9 ASN CA C 51.363 0.05 1 62 139 9 ASN CB C 37.165 0.05 1 63 139 9 ASN N N 123.218 0.05 1 64 140 10 VAL H H 7.992 0.005 1 65 140 10 VAL HA H 3.840 0.005 1 66 140 10 VAL HB H 1.830 0.005 1 67 140 10 VAL HG1 H 0.638 0.005 1 68 140 10 VAL HG2 H 0.638 0.005 1 69 140 10 VAL C C 174.330 0.05 1 70 140 10 VAL CA C 60.759 0.05 1 71 140 10 VAL CB C 30.920 0.05 1 72 140 10 VAL CG1 C 18.395 0.05 2 73 140 10 VAL CG2 C 19.179 0.05 2 74 140 10 VAL N N 120.550 0.05 1 75 141 11 GLY H H 8.276 0.005 1 76 141 11 GLY HA2 H 3.672 0.005 1 77 141 11 GLY HA3 H 3.672 0.005 1 78 141 11 GLY C C 176.919 0.05 1 79 141 11 GLY CA C 43.398 0.05 1 80 141 11 GLY N N 112.220 0.05 1 81 142 12 VAL H H 7.765 0.005 1 82 142 12 VAL HA H 3.771 0.005 1 83 142 12 VAL HB H 1.687 0.005 1 84 142 12 VAL HG1 H 0.522 0.005 1 85 142 12 VAL HG2 H 0.583 0.005 1 86 142 12 VAL C C 174.840 0.05 1 87 142 12 VAL CA C 60.747 0.05 1 88 142 12 VAL CB C 31.013 0.05 1 89 142 12 VAL CG1 C 18.925 0.05 1 90 142 12 VAL CG2 C 18.925 0.05 1 91 142 12 VAL N N 119.889 0.05 1 92 143 13 LYS H H 8.153 0.005 1 93 143 13 LYS HA H 3.971 0.005 1 94 143 13 LYS HB2 H 1.378 0.005 1 95 143 13 LYS HB3 H 1.378 0.005 1 96 143 13 LYS C C 174.758 0.05 1 97 143 13 LYS CA C 54.451 0.05 1 98 143 13 LYS CB C 31.233 0.05 1 99 143 13 LYS CD C 27.298 0.05 1 100 143 13 LYS CE C 40.316 0.05 1 101 143 13 LYS CG C 22.994 0.05 1 102 143 13 LYS N N 125.132 0.05 1 103 144 14 TYR H H 8.043 0.005 1 104 144 14 TYR HA H 4.211 0.005 1 105 144 14 TYR HB2 H 2.611 0.005 2 106 144 14 TYR HB3 H 2.734 0.005 2 107 144 14 TYR HD1 H 6.811 0.005 3 108 144 14 TYR HD2 H 6.811 0.005 3 109 144 14 TYR C C 175.454 0.05 1 110 144 14 TYR CA C 56.330 0.05 1 111 144 14 TYR CB C 37.199 0.05 1 112 144 14 TYR N N 122.097 0.05 1 113 145 15 ALA H H 7.980 0.005 1 114 145 15 ALA HA H 3.967 0.005 1 115 145 15 ALA HB H 1.043 0.005 1 116 145 15 ALA C C 173.603 0.05 1 117 145 15 ALA CA C 50.578 0.05 1 118 145 15 ALA CB C 17.660 0.05 1 119 145 15 ALA N N 125.698 0.05 1 120 146 16 GLU H H 8.119 0.005 1 121 146 16 GLU HA H 4.272 0.005 1 122 146 16 GLU HB2 H 1.679 0.005 1 123 146 16 GLU HB3 H 1.679 0.005 1 124 146 16 GLU HG2 H 2.015 0.005 1 125 146 16 GLU HG3 H 2.015 0.005 1 126 146 16 GLU CA C 54.862 0.05 1 127 146 16 GLU CB C 28.575 0.05 1 128 146 16 GLU N N 120.507 0.05 1 129 148 18 GLN HA H 4.028 0.005 1 130 148 18 GLN HB2 H 1.639 0.005 2 131 148 18 GLN HB3 H 1.753 0.005 2 132 148 18 GLN HG2 H 1.961 0.005 2 133 148 18 GLN HG3 H 2.080 0.005 2 134 148 18 GLN CG C 32.040 0.05 1 135 149 19 GLU H H 8.311 0.005 1 136 149 19 GLU HA H 4.004 0.005 1 137 149 19 GLU HB2 H 1.650 0.005 2 138 149 19 GLU HB3 H 1.726 0.005 2 139 149 19 GLU HG2 H 1.985 0.005 1 140 149 19 GLU HG3 H 1.985 0.005 1 141 149 19 GLU C C 174.603 0.05 1 142 149 19 GLU CA C 54.779 0.05 1 143 149 19 GLU CB C 28.641 0.05 1 144 149 19 GLU CG C 34.411 0.05 1 145 149 19 GLU N N 122.853 0.05 1 146 150 20 ARG H H 8.233 0.005 1 147 150 20 ARG HA H 3.960 0.005 1 148 150 20 ARG HB2 H 1.441 0.005 1 149 150 20 ARG HB3 H 1.441 0.005 1 150 150 20 ARG HD2 H 2.854 0.005 1 151 150 20 ARG HD3 H 2.854 0.005 1 152 150 20 ARG C C 174.969 0.05 1 153 150 20 ARG CA C 54.373 0.05 1 154 150 20 ARG CB C 28.917 0.05 1 155 150 20 ARG CD C 41.613 0.05 1 156 150 20 ARG CG C 25.417 0.05 1 157 150 20 ARG N N 122.813 0.05 1 158 151 21 ARG H H 8.171 0.005 1 159 151 21 ARG HA H 3.989 0.005 1 160 151 21 ARG HB2 H 1.419 0.005 1 161 151 21 ARG HB3 H 1.419 0.005 1 162 151 21 ARG HD2 H 2.849 0.005 1 163 151 21 ARG HD3 H 2.849 0.005 1 164 151 21 ARG HG2 H 1.222 0.005 1 165 151 21 ARG HG3 H 1.222 0.005 1 166 151 21 ARG C C 175.102 0.05 1 167 151 21 ARG CA C 54.263 0.05 1 168 151 21 ARG CB C 29.179 0.05 1 169 151 21 ARG CD C 41.599 0.05 1 170 151 21 ARG CG C 25.530 0.05 1 171 151 21 ARG N N 122.749 0.05 1 172 152 22 PHE H H 8.193 0.005 1 173 152 22 PHE HA H 4.365 0.005 1 174 152 22 PHE HB2 H 2.736 0.005 1 175 152 22 PHE HB3 H 2.736 0.005 1 176 152 22 PHE HD1 H 6.943 0.005 3 177 152 22 PHE HD2 H 6.943 0.005 3 178 152 22 PHE C C 175.792 0.05 1 179 152 22 PHE CA C 55.777 0.05 1 180 152 22 PHE CB C 37.954 0.05 1 181 152 22 PHE N N 121.937 0.05 1 182 153 23 GLU H H 8.063 0.005 1 183 153 23 GLU HA H 4.342 0.005 1 184 153 23 GLU HB2 H 1.542 0.005 2 185 153 23 GLU HB3 H 1.684 0.005 2 186 153 23 GLU HG2 H 1.922 0.005 1 187 153 23 GLU HG3 H 1.922 0.005 1 188 153 23 GLU C C 176.987 0.05 1 189 153 23 GLU CA C 52.166 0.05 1 190 153 23 GLU CB C 28.363 0.05 1 191 153 23 GLU N N 124.523 0.05 1 192 154 24 PRO HA H 4.009 0.005 1 193 154 24 PRO HB2 H 1.593 0.005 2 194 154 24 PRO HB3 H 1.999 0.005 2 195 154 24 PRO HD2 H 3.348 0.005 1 196 154 24 PRO HD3 H 3.344 0.005 1 197 154 24 PRO CA C 61.600 0.05 1 198 154 24 PRO CB C 30.412 0.05 1 199 154 24 PRO CD C 49.110 0.05 1 200 154 24 PRO CG C 25.641 0.05 1 201 155 25 GLU H H 8.459 0.005 1 202 155 25 GLU HA H 3.860 0.005 1 203 155 25 GLU HB2 H 1.687 0.005 1 204 155 25 GLU HB3 H 1.687 0.005 1 205 155 25 GLU HG2 H 2.010 0.005 1 206 155 25 GLU HG3 H 2.010 0.005 1 207 155 25 GLU C C 174.042 0.05 1 208 155 25 GLU CA C 55.323 0.05 1 209 155 25 GLU CB C 28.239 0.05 1 210 155 25 GLU CG C 34.564 0.05 1 211 155 25 GLU N N 120.962 0.05 1 212 156 26 LYS H H 8.085 0.005 1 213 156 26 LYS HA H 3.944 0.005 1 214 156 26 LYS HB2 H 1.477 0.005 1 215 156 26 LYS HB3 H 1.477 0.005 1 216 156 26 LYS C C 174.130 0.05 1 217 156 26 LYS CA C 54.740 0.05 1 218 156 26 LYS CB C 31.135 0.05 1 219 156 26 LYS CD C 27.252 0.05 1 220 156 26 LYS CE C 40.361 0.05 1 221 156 26 LYS CG C 23.273 0.05 1 222 156 26 LYS N N 122.428 0.05 1 223 157 27 LEU H H 7.985 0.005 1 224 157 27 LEU HA H 4.010 0.005 1 225 157 27 LEU HB2 H 1.347 0.005 1 226 157 27 LEU HB3 H 1.347 0.005 1 227 157 27 LEU HD1 H 0.591 0.005 1 228 157 27 LEU HD2 H 0.591 0.005 1 229 157 27 LEU C C 172.769 0.05 1 230 157 27 LEU CB C 43.367 0.05 1 231 157 27 LEU N N 122.956 0.05 1 232 159 29 GLU HA H 4.193 0.005 1 233 159 29 GLU HB2 H 1.792 0.005 1 234 159 29 GLU HB3 H 1.792 0.005 1 235 159 29 GLU HG2 H 2.007 0.005 1 236 159 29 GLU HG3 H 2.007 0.005 1 237 159 29 GLU CA C 54.988 0.05 1 238 159 29 GLU CB C 28.538 0.05 1 239 160 30 GLY H H 8.270 0.005 1 240 160 30 GLY HA2 H 3.905 0.005 1 241 160 30 GLY HA3 H 3.905 0.005 1 242 160 30 GLY C C 176.649 0.05 1 243 160 30 GLY CA C 43.740 0.05 1 244 160 30 GLY N N 109.810 0.05 1 245 161 31 ARG H H 7.954 0.005 1 246 161 31 ARG HA H 3.659 0.005 1 247 161 31 ARG HB2 H 1.499 0.005 1 248 161 31 ARG HB3 H 1.499 0.005 1 249 161 31 ARG C C 174.880 0.05 1 250 161 31 ARG CA C 54.415 0.05 1 251 161 31 ARG CB C 29.078 0.05 1 252 161 31 ARG CD C 41.578 0.05 1 253 161 31 ARG CG C 25.394 0.05 1 254 161 31 ARG N N 119.934 0.05 1 255 162 32 ASN H H 8.304 0.005 1 256 162 32 ASN HA H 4.409 0.005 1 257 162 32 ASN HB2 H 2.480 0.005 1 258 162 32 ASN HB3 H 2.485 0.005 1 259 162 32 ASN C C 175.867 0.05 1 260 162 32 ASN CA C 51.567 0.05 1 261 162 32 ASN CB C 36.894 0.05 1 262 162 32 ASN N N 119.604 0.05 1 263 163 33 ILE H H 7.908 0.005 1 264 163 33 ILE HA H 3.852 0.005 1 265 163 33 ILE HB H 1.596 0.005 1 266 163 33 ILE C C 174.507 0.05 1 267 163 33 ILE CA C 59.663 0.05 1 268 163 33 ILE CB C 36.502 0.05 1 269 163 33 ILE CD1 C 11.140 0.05 1 270 163 33 ILE CG1 C 25.814 0.05 1 271 163 33 ILE CG2 C 15.850 0.05 1 272 163 33 ILE N N 121.351 0.05 1 273 164 34 ILE H H 8.013 0.005 1 274 164 34 ILE HA H 3.853 0.005 1 275 164 34 ILE HB H 1.579 0.005 1 276 164 34 ILE C C 174.059 0.05 1 277 164 34 ILE CA C 59.828 0.05 1 278 164 34 ILE CB C 36.492 0.05 1 279 164 34 ILE CD1 C 10.971 0.05 1 280 164 34 ILE CG1 C 25.958 0.05 1 281 164 34 ILE CG2 C 15.703 0.05 1 282 164 34 ILE N N 125.079 0.05 1 283 165 35 GLY H H 8.216 0.005 1 284 165 35 GLY HA2 H 3.642 0.005 1 285 165 35 GLY HA3 H 3.642 0.005 1 286 165 35 GLY C C 176.807 0.05 1 287 165 35 GLY CA C 43.509 0.05 1 288 165 35 GLY N N 112.598 0.05 1 289 166 36 LEU H H 8.113 0.005 1 290 166 36 LEU HA H 3.594 0.005 1 291 166 36 LEU HB2 H 1.586 0.005 1 292 166 36 LEU HB3 H 1.586 0.005 1 293 166 36 LEU CA C 51.435 0.05 1 294 166 36 LEU CB C 37.290 0.05 1 295 166 36 LEU N N 118.489 0.05 1 296 168 38 MET HA H 4.023 0.005 1 297 168 38 MET HB2 H 1.824 0.005 1 298 168 38 MET HB3 H 1.824 0.005 1 299 168 38 MET CA C 53.950 0.05 1 300 168 38 MET CB C 30.701 0.05 1 301 169 39 GLY H H 8.243 0.005 1 302 169 39 GLY HA2 H 3.665 0.005 1 303 169 39 GLY HA3 H 3.665 0.005 1 304 169 39 GLY CA C 43.396 0.05 1 305 169 39 GLY N N 110.242 0.05 1 306 170 40 ILE H H 7.854 0.005 1 307 170 40 ILE HA H 4.027 0.005 1 308 170 40 ILE HB H 1.306 0.005 1 309 170 40 ILE N N 121.497 0.05 1 310 171 41 ASN H H 8.256 0.005 1 311 171 41 ASN HA H 4.692 0.005 1 312 171 41 ASN HB2 H 2.490 0.005 1 313 171 41 ASN HB3 H 2.490 0.005 1 314 171 41 ASN CA C 54.075 0.05 1 315 171 41 ASN CB C 39.204 0.05 1 316 171 41 ASN N N 121.161 0.05 1 317 172 42 LYS HA H 4.025 0.005 1 318 172 42 LYS HB2 H 1.275 0.005 1 319 172 42 LYS HB3 H 1.275 0.005 1 320 173 43 PHE H H 7.946 0.005 1 321 173 43 PHE HA H 4.314 0.005 1 322 173 43 PHE HB2 H 2.680 0.005 2 323 173 43 PHE HB3 H 2.910 0.005 2 324 173 43 PHE HD1 H 6.950 0.005 3 325 173 43 PHE HD2 H 6.950 0.005 3 326 173 43 PHE CA C 56.109 0.05 1 327 173 43 PHE CB C 37.560 0.05 1 328 173 43 PHE N N 119.884 0.05 1 329 174 44 ALA H H 7.893 0.005 1 330 174 44 ALA HA H 3.993 0.005 1 331 174 44 ALA HB H 1.098 0.005 1 332 174 44 ALA C C 173.076 0.05 1 333 174 44 ALA CA C 51.165 0.05 1 334 174 44 ALA CB C 17.517 0.05 1 335 174 44 ALA N N 124.616 0.05 1 336 175 45 SER H H 8.043 0.005 1 337 175 45 SER HA H 4.118 0.005 1 338 175 45 SER HB2 H 3.588 0.005 1 339 175 45 SER HB3 H 3.588 0.005 1 340 175 45 SER C C 176.015 0.05 1 341 175 45 SER CA C 56.911 0.05 1 342 175 45 SER CB C 62.040 0.05 1 343 175 45 SER N N 114.557 0.05 1 344 176 46 GLN H H 8.174 0.005 1 345 176 46 GLN HA H 4.087 0.005 1 346 176 46 GLN HB2 H 1.716 0.005 1 347 176 46 GLN HB3 H 1.716 0.005 1 348 176 46 GLN HG2 H 2.067 0.005 1 349 176 46 GLN HG3 H 2.067 0.005 1 350 176 46 GLN CA C 54.357 0.05 1 351 176 46 GLN CB C 27.514 0.05 1 352 176 46 GLN CG C 32.065 0.05 1 353 176 46 GLN N N 121.790 0.05 1 354 177 47 GLN H H 8.096 0.005 1 355 177 47 GLN HA H 4.197 0.005 1 356 177 47 GLN HB2 H 1.802 0.005 1 357 177 47 GLN HB3 H 1.802 0.005 1 358 177 47 GLN HG2 H 2.268 0.005 1 359 177 47 GLN HG3 H 2.268 0.005 1 360 177 47 GLN C C 173.858 0.05 1 361 177 47 GLN CA C 54.051 0.05 1 362 177 47 GLN CB C 30.865 0.05 1 363 177 47 GLN N N 120.566 0.05 1 364 178 48 GLY H H 8.154 0.005 1 365 178 48 GLY HA2 H 3.736 0.005 1 366 178 48 GLY HA3 H 3.736 0.005 1 367 178 48 GLY C C 176.431 0.05 1 368 178 48 GLY CA C 43.729 0.05 1 369 178 48 GLY N N 109.376 0.05 1 370 179 49 MET H H 7.971 0.005 1 371 179 49 MET HA H 4.283 0.005 1 372 179 49 MET HB2 H 1.735 0.005 1 373 179 49 MET HB3 H 1.735 0.005 1 374 179 49 MET HG2 H 2.231 0.005 1 375 179 49 MET HG3 H 2.231 0.005 1 376 179 49 MET C C 174.146 0.05 1 377 179 49 MET CA C 53.809 0.05 1 378 179 49 MET CB C 31.157 0.05 1 379 179 49 MET N N 119.524 0.05 1 380 180 50 THR H H 8.009 0.005 1 381 180 50 THR HA H 3.990 0.005 1 382 180 50 THR HB H 3.877 0.005 1 383 180 50 THR HG2 H 0.849 0.005 1 384 180 50 THR C C 176.507 0.05 1 385 180 50 THR CA C 60.244 0.05 1 386 180 50 THR CB C 68.433 0.05 1 387 180 50 THR CG2 C 19.783 0.05 1 388 180 50 THR N N 115.120 0.05 1 389 181 51 ALA H H 8.151 0.005 1 390 181 51 ALA HA H 3.963 0.005 1 391 181 51 ALA HB H 0.985 0.005 1 392 181 51 ALA C C 173.404 0.05 1 393 181 51 ALA CA C 50.952 0.05 1 394 181 51 ALA CB C 17.313 0.05 1 395 181 51 ALA N N 125.611 0.05 1 396 182 52 TYR H H 7.905 0.005 1 397 182 52 TYR HA H 4.196 0.005 1 398 182 52 TYR HB2 H 2.650 0.005 2 399 182 52 TYR HB3 H 2.768 0.005 2 400 182 52 TYR HD1 H 6.800 0.005 3 401 182 52 TYR HD2 H 6.800 0.005 3 402 182 52 TYR C C 174.288 0.05 1 403 182 52 TYR CA C 56.633 0.05 1 404 182 52 TYR CB C 36.981 0.05 1 405 182 52 TYR N N 119.007 0.05 1 406 183 53 GLY H H 8.040 0.005 1 407 183 53 GLY HA2 H 3.570 0.005 2 408 183 53 GLY HA3 H 3.706 0.005 2 409 183 53 GLY C C 176.483 0.05 1 410 183 53 GLY CA C 43.778 0.05 1 411 183 53 GLY N N 109.938 0.05 1 412 184 54 THR H H 7.779 0.005 1 413 184 54 THR HA H 4.015 0.005 1 414 184 54 THR HB H 3.650 0.005 1 415 184 54 THR HG2 H 0.904 0.005 1 416 184 54 THR C C 176.248 0.05 1 417 184 54 THR CA C 60.384 0.05 1 418 184 54 THR CB C 68.201 0.05 1 419 184 54 THR CG2 C 19.794 0.05 1 420 184 54 THR N N 113.430 0.05 1 421 185 55 ARG H H 8.153 0.005 1 422 185 55 ARG HA H 4.073 0.005 1 423 185 55 ARG HB2 H 1.459 0.005 1 424 185 55 ARG HB3 H 1.459 0.005 1 425 185 55 ARG C C 174.747 0.05 1 426 185 55 ARG CA C 54.457 0.05 1 427 185 55 ARG CB C 28.890 0.05 1 428 185 55 ARG CD C 41.620 0.05 1 429 185 55 ARG CG C 25.483 0.05 1 430 185 55 ARG N N 122.944 0.05 1 431 186 56 ARG H H 8.100 0.005 1 432 186 56 ARG HA H 4.044 0.005 1 433 186 56 ARG HB2 H 1.430 0.005 1 434 186 56 ARG HB3 H 1.430 0.005 1 435 186 56 ARG C C 174.896 0.05 1 436 186 56 ARG CA C 54.535 0.05 1 437 186 56 ARG CB C 29.071 0.05 1 438 186 56 ARG CD C 41.507 0.05 1 439 186 56 ARG CG C 25.478 0.05 1 440 186 56 ARG N N 122.180 0.05 1 441 187 57 HIS H H 8.152 0.005 1 442 187 57 HIS HA H 4.271 0.005 1 443 187 57 HIS HB2 H 2.715 0.005 1 444 187 57 HIS HB3 H 2.715 0.005 1 445 187 57 HIS C C 175.637 0.05 1 446 187 57 HIS CA C 54.643 0.05 1 447 187 57 HIS CB C 29.188 0.05 1 448 187 57 HIS N N 120.597 0.05 1 449 188 58 LEU H H 7.871 0.005 1 450 188 58 LEU HA H 3.944 0.005 1 451 188 58 LEU HB2 H 1.085 0.005 2 452 188 58 LEU HB3 H 1.216 0.005 2 453 188 58 LEU CA C 55.592 0.05 1 454 188 58 LEU CB C 37.468 0.05 1 455 188 58 LEU N N 123.174 0.05 1 456 189 59 TYR H H 7.886 0.005 1 457 189 59 TYR HA H 4.217 0.005 1 458 189 59 TYR HB2 H 2.639 0.005 1 459 189 59 TYR HB3 H 2.639 0.005 1 460 189 59 TYR HD1 H 6.759 0.005 3 461 189 59 TYR HD2 H 6.759 0.005 3 462 189 59 TYR C C 176.192 0.05 1 463 189 59 TYR CA C 55.953 0.05 1 464 189 59 TYR CB C 37.208 0.05 1 465 189 59 TYR N N 120.674 0.05 1 466 190 60 ASP H H 7.954 0.005 1 467 190 60 ASP HA H 4.558 0.005 1 468 190 60 ASP HB2 H 2.189 0.005 2 469 190 60 ASP HB3 H 2.486 0.005 2 470 190 60 ASP C C 176.146 0.05 1 471 190 60 ASP CA C 49.500 0.05 1 472 190 60 ASP CB C 39.989 0.05 1 473 190 60 ASP N N 124.878 0.05 1 474 191 61 PRO HA H 4.019 0.005 1 475 191 61 PRO HB2 H 2.019 0.005 1 476 191 61 PRO HB3 H 2.019 0.005 1 477 191 61 PRO HD2 H 3.341 0.005 2 478 191 61 PRO HD3 H 3.543 0.005 2 479 191 61 PRO C C 173.348 0.05 1 480 191 61 PRO CA C 61.861 0.05 1 481 191 61 PRO CB C 30.443 0.05 1 482 191 61 PRO CD C 49.381 0.05 1 483 191 61 PRO CG C 25.265 0.05 1 484 192 62 LYS H H 8.130 0.005 1 485 192 62 LYS HA H 3.896 0.005 1 486 192 62 LYS HB2 H 1.513 0.005 1 487 192 62 LYS HB3 H 1.513 0.005 1 488 192 62 LYS C C 173.686 0.05 1 489 192 62 LYS CA C 55.284 0.05 1 490 192 62 LYS CB C 30.396 0.05 1 491 192 62 LYS CD C 27.198 0.05 1 492 192 62 LYS CG C 23.213 0.05 1 493 192 62 LYS N N 119.205 0.05 1 494 193 63 LEU H H 7.623 0.005 1 495 193 63 LEU HA H 4.039 0.005 1 496 193 63 LEU HB2 H 1.498 0.005 1 497 193 63 LEU HB3 H 1.363 0.005 1 498 193 63 LEU C C 172.910 0.05 1 499 193 63 LEU CA C 53.475 0.05 1 500 193 63 LEU CB C 40.615 0.05 1 501 193 63 LEU N N 120.892 0.05 1 502 194 64 GLY H H 8.041 0.005 1 503 194 64 GLY HA2 H 3.716 0.005 1 504 194 64 GLY HA3 H 3.716 0.005 1 505 194 64 GLY C C 176.499 0.05 1 506 194 64 GLY CA C 43.764 0.05 1 507 194 64 GLY N N 108.884 0.05 1 508 195 65 THR H H 7.824 0.005 1 509 195 65 THR HA H 4.100 0.005 1 510 195 65 THR HB H 4.007 0.005 1 511 195 65 THR HG2 H 0.892 0.005 1 512 195 65 THR C C 176.516 0.05 1 513 195 65 THR CA C 59.994 0.05 1 514 195 65 THR CB C 68.135 0.05 1 515 195 65 THR CG2 C 19.720 0.05 1 516 195 65 THR N N 112.336 0.05 1 517 196 66 ASP H H 8.208 0.005 1 518 196 66 ASP HA H 4.348 0.005 1 519 196 66 ASP HB2 H 2.345 0.005 1 520 196 66 ASP HB3 H 2.345 0.005 1 521 196 66 ASP C C 175.225 0.05 1 522 196 66 ASP CA C 52.589 0.05 1 523 196 66 ASP CB C 39.150 0.05 1 524 196 66 ASP N N 122.250 0.05 1 525 197 67 GLN H H 7.976 0.005 1 526 197 67 GLN HA H 4.323 0.005 1 527 197 67 GLN HB2 H 1.612 0.005 2 528 197 67 GLN HB3 H 1.792 0.005 2 529 197 67 GLN C C 177.148 0.05 1 530 197 67 GLN CA C 51.796 0.05 1 531 197 67 GLN CB C 27.348 0.05 1 532 197 67 GLN N N 120.932 0.05 1 533 198 68 PRO CA C 61.291 0.05 1 534 198 68 PRO CB C 30.410 0.05 1 535 198 68 PRO CD C 49.131 0.05 1 536 198 68 PRO CG C 25.857 0.05 1 537 199 69 LEU H H 8.206 0.005 1 538 199 69 LEU HA H 3.991 0.005 1 539 199 69 LEU CA C 54.612 0.05 1 540 199 69 LEU CB C 39.446 0.05 1 541 199 69 LEU N N 122.352 0.05 1 542 200 70 ASP H H 8.123 0.005 1 543 200 70 ASP HA H 4.279 0.005 1 544 200 70 ASP HB2 H 2.410 0.005 1 545 200 70 ASP HB3 H 2.410 0.005 1 546 200 70 ASP CA C 52.295 0.05 1 547 200 70 ASP CB C 39.354 0.05 1 548 200 70 ASP N N 120.638 0.05 1 549 201 71 GLN H H 8.192 0.005 1 550 201 71 GLN HA H 3.890 0.005 1 551 201 71 GLN HB2 H 1.699 0.005 2 552 201 71 GLN HB3 H 1.836 0.005 2 553 201 71 GLN HG2 H 2.088 0.005 2 554 201 71 GLN HG3 H 2.408 0.005 2 555 201 71 GLN C C 174.426 0.05 1 556 201 71 GLN CA C 54.986 0.05 1 557 201 71 GLN CB C 27.387 0.05 1 558 201 71 GLN CG C 32.020 0.05 1 559 201 71 GLN N N 121.061 0.05 1 560 202 72 ALA H H 8.172 0.005 1 561 202 72 ALA HA H 3.966 0.005 1 562 202 72 ALA HB H 1.133 0.005 1 563 202 72 ALA C C 172.102 0.05 1 564 202 72 ALA CA C 51.861 0.05 1 565 202 72 ALA CB C 17.075 0.05 1 566 202 72 ALA N N 123.628 0.05 1 567 203 73 THR H H 7.806 0.005 1 568 203 73 THR HA H 3.955 0.005 1 569 203 73 THR HB H 3.905 0.005 1 570 203 73 THR HG2 H 0.906 0.005 1 571 203 73 THR C C 175.624 0.05 1 572 203 73 THR CA C 61.645 0.05 1 573 203 73 THR CB C 67.617 0.05 1 574 203 73 THR CG2 C 20.095 0.05 1 575 203 73 THR N N 113.990 0.05 1 576 204 74 ILE H H 7.836 0.005 1 577 204 74 ILE HA H 3.756 0.005 1 578 204 74 ILE HB H 1.565 0.005 1 579 204 74 ILE C C 173.976 0.05 1 580 204 74 ILE CA C 60.635 0.05 1 581 204 74 ILE CB C 36.745 0.05 1 582 204 74 ILE CD1 C 11.108 0.05 1 583 204 74 ILE CG1 C 25.739 0.05 1 584 204 74 ILE CG2 C 15.434 0.05 1 585 204 74 ILE N N 123.273 0.05 1 586 205 75 SER H H 8.127 0.005 1 587 205 75 SER HA H 4.090 0.005 1 588 205 75 SER HB2 H 3.612 0.005 1 589 205 75 SER HB3 H 3.612 0.005 1 590 205 75 SER C C 175.693 0.05 1 591 205 75 SER CA C 57.456 0.05 1 592 205 75 SER CB C 61.811 0.05 1 593 205 75 SER N N 118.470 0.05 1 594 206 76 LEU H H 7.920 0.005 1 595 206 76 LEU HA H 3.987 0.005 1 596 206 76 LEU HB2 H 1.391 0.005 1 597 206 76 LEU HB3 H 1.391 0.005 1 598 206 76 LEU C C 172.757 0.05 1 599 206 76 LEU CA C 54.493 0.05 1 600 206 76 LEU CB C 40.378 0.05 1 601 206 76 LEU N N 123.771 0.05 1 602 207 77 GLN HA H 4.086 0.005 1 603 207 77 GLN CA C 54.256 0.05 1 604 207 77 GLN CB C 27.208 0.05 1 605 208 78 MET H H 8.142 0.005 1 606 208 78 MET HA H 3.963 0.005 1 607 208 78 MET HB2 H 1.819 0.005 1 608 208 78 MET HB3 H 1.819 0.005 1 609 208 78 MET HG2 H 2.059 0.005 1 610 208 78 MET HG3 H 2.059 0.005 1 611 208 78 MET CA C 54.674 0.05 1 612 208 78 MET CB C 27.524 0.05 1 613 208 78 MET N N 120.845 0.05 1 614 209 79 GLY H H 8.246 0.005 1 615 209 79 GLY HA2 H 3.681 0.005 1 616 209 79 GLY HA3 H 3.681 0.005 1 617 209 79 GLY CA C 43.723 0.05 1 618 209 79 GLY N N 109.739 0.05 1 619 210 80 THR H H 7.881 0.005 1 620 210 80 THR HA H 4.019 0.005 1 621 210 80 THR HG2 H 0.895 0.005 1 622 210 80 THR C C 176.381 0.05 1 623 210 80 THR CA C 60.238 0.05 1 624 210 80 THR CB C 68.114 0.05 1 625 210 80 THR CG2 C 19.746 0.05 1 626 210 80 THR N N 113.022 0.05 1 627 211 81 ASN H H 8.306 0.005 1 628 211 81 ASN HA H 4.425 0.005 1 629 211 81 ASN HB2 H 2.517 0.005 1 630 211 81 ASN HB3 H 2.517 0.005 1 631 211 81 ASN C C 175.477 0.05 1 632 211 81 ASN CA C 51.617 0.05 1 633 211 81 ASN CB C 36.933 0.05 1 634 211 81 ASN N N 120.922 0.05 1 635 212 82 LYS H H 8.200 0.005 1 636 212 82 LYS CA C 54.448 0.05 1 637 212 82 LYS CB C 29.204 0.05 1 638 212 82 LYS N N 121.989 0.05 1 639 213 83 GLY H H 8.234 0.005 1 640 213 83 GLY C C 177.074 0.05 1 641 213 83 GLY CA C 43.438 0.05 1 642 213 83 GLY N N 110.009 0.05 1 643 214 84 ALA H H 8.000 0.005 1 644 214 84 ALA HA H 3.657 0.005 1 645 214 84 ALA HB H 1.112 0.005 1 646 214 84 ALA C C 172.760 0.05 1 647 214 84 ALA CA C 50.910 0.05 1 648 214 84 ALA CB C 17.577 0.05 1 649 214 84 ALA N N 123.733 0.05 1 650 215 85 SER H H 8.161 0.005 1 651 215 85 SER HA H 4.062 0.005 1 652 215 85 SER HB2 H 3.600 0.005 1 653 215 85 SER HB3 H 3.600 0.005 1 654 215 85 SER C C 176.030 0.05 1 655 215 85 SER CA C 56.859 0.05 1 656 215 85 SER CB C 62.009 0.05 1 657 215 85 SER N N 115.031 0.05 1 658 216 86 GLN H H 8.215 0.005 1 659 216 86 GLN HA H 4.058 0.005 1 660 216 86 GLN HB2 H 1.879 0.005 1 661 216 86 GLN HB3 H 1.879 0.005 1 662 216 86 GLN C C 175.001 0.05 1 663 216 86 GLN CA C 54.038 0.05 1 664 216 86 GLN CB C 27.650 0.05 1 665 216 86 GLN CG C 32.095 0.05 1 666 216 86 GLN N N 122.275 0.05 1 667 217 87 ALA H H 8.099 0.005 1 668 217 87 ALA HA H 3.990 0.005 1 669 217 87 ALA HB H 1.103 0.005 1 670 217 87 ALA C C 172.518 0.05 1 671 217 87 ALA CA C 51.323 0.05 1 672 217 87 ALA CB C 17.308 0.05 1 673 217 87 ALA N N 124.989 0.05 1 674 218 88 GLY H H 8.212 0.005 1 675 218 88 GLY HA2 H 3.657 0.005 1 676 218 88 GLY HA3 H 3.658 0.005 1 677 218 88 GLY C C 176.636 0.05 1 678 218 88 GLY CA C 43.576 0.05 1 679 218 88 GLY N N 108.008 0.05 1 680 219 89 MET H H 7.921 0.005 1 681 219 89 MET HA H 4.260 0.005 1 682 219 89 MET HB2 H 1.745 0.005 1 683 219 89 MET HB3 H 1.745 0.005 1 684 219 89 MET HG2 H 2.251 0.005 1 685 219 89 MET HG3 H 2.251 0.005 1 686 219 89 MET C C 174.423 0.05 1 687 219 89 MET CA C 53.769 0.05 1 688 219 89 MET CB C 31.229 0.05 1 689 219 89 MET N N 119.555 0.05 1 690 220 90 THR H H 8.009 0.005 1 691 220 90 THR HA H 4.030 0.005 1 692 220 90 THR HB H 3.855 0.005 1 693 220 90 THR HG2 H 1.832 0.005 1 694 220 90 THR C C 176.971 0.05 1 695 220 90 THR CA C 60.021 0.05 1 696 220 90 THR CB C 68.244 0.05 1 697 220 90 THR CG2 C 19.996 0.05 1 698 220 90 THR N N 115.924 0.05 1 699 221 91 ALA H H 8.227 0.005 1 700 221 91 ALA HA H 4.315 0.005 1 701 221 91 ALA HB H 1.085 0.005 1 702 221 91 ALA C C 175.258 0.05 1 703 221 91 ALA CA C 49.010 0.05 1 704 221 91 ALA CB C 16.334 0.05 1 705 221 91 ALA N N 128.281 0.05 1 706 222 92 PRO HA H 4.146 0.005 1 707 222 92 PRO HB2 H 1.632 0.005 2 708 222 92 PRO HB3 H 1.993 0.005 2 709 222 92 PRO HD2 H 3.399 0.005 2 710 222 92 PRO HD3 H 3.562 0.005 2 711 222 92 PRO C C 173.246 0.05 1 712 222 92 PRO CA C 61.821 0.05 1 713 222 92 PRO CB C 30.372 0.05 1 714 222 92 PRO CD C 49.186 0.05 1 715 222 92 PRO CG C 25.710 0.05 1 716 223 93 GLY H H 8.359 0.005 1 717 223 93 GLY HA2 H 3.697 0.005 1 718 223 93 GLY HA3 H 3.696 0.005 1 719 223 93 GLY C C 176.495 0.05 1 720 223 93 GLY CA C 43.533 0.05 1 721 223 93 GLY N N 109.299 0.05 1 722 224 94 THR H H 7.764 0.005 1 723 224 94 THR HA H 4.013 0.005 1 724 224 94 THR HB H 3.871 0.005 1 725 224 94 THR HG2 H 0.901 0.005 1 726 224 94 THR C C 176.419 0.05 1 727 224 94 THR CA C 60.439 0.05 1 728 224 94 THR CB C 68.387 0.05 1 729 224 94 THR CG2 C 19.757 0.05 1 730 224 94 THR N N 113.961 0.05 1 731 225 95 LYS H H 8.226 0.005 1 732 225 95 LYS HA H 4.039 0.005 1 733 225 95 LYS HB2 H 1.488 0.005 1 734 225 95 LYS HB3 H 1.488 0.005 1 735 225 95 LYS C C 174.605 0.05 1 736 225 95 LYS CA C 54.499 0.05 1 737 225 95 LYS CB C 31.344 0.05 1 738 225 95 LYS CD C 27.389 0.05 1 739 225 95 LYS CE C 40.329 0.05 1 740 225 95 LYS CG C 22.958 0.05 1 741 225 95 LYS N N 124.450 0.05 1 742 226 96 ARG H H 8.239 0.005 1 743 226 96 ARG HA H 4.018 0.005 1 744 226 96 ARG HB2 H 1.498 0.005 1 745 226 96 ARG HB3 H 1.498 0.005 1 746 226 96 ARG HG2 H 1.317 0.005 1 747 226 96 ARG HG3 H 1.317 0.005 1 748 226 96 ARG C C 174.907 0.05 1 749 226 96 ARG CA C 54.450 0.05 1 750 226 96 ARG CB C 29.246 0.05 1 751 226 96 ARG CD C 41.612 0.05 1 752 226 96 ARG CG C 25.505 0.05 1 753 226 96 ARG N N 123.718 0.05 1 754 227 97 GLN H H 8.347 0.005 1 755 227 97 GLN HA H 4.075 0.005 1 756 227 97 GLN HB2 H 1.696 0.005 2 757 227 97 GLN HB3 H 1.804 0.005 2 758 227 97 GLN C C 175.955 0.05 1 759 227 97 GLN CA C 54.075 0.05 1 760 227 97 GLN CB C 27.875 0.05 1 761 227 97 GLN CG C 32.071 0.05 1 762 227 97 GLN N N 123.433 0.05 1 763 228 98 ILE H H 7.646 0.005 1 764 228 98 ILE HA H 3.768 0.005 1 765 228 98 ILE HB H 1.538 0.005 1 766 228 98 ILE C C 169.782 0.05 1 767 228 98 ILE CA C 61.317 0.05 1 768 228 98 ILE CB C 37.749 0.05 1 769 228 98 ILE N N 127.191 0.05 1 stop_ save_