data_7301 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C, and 15N resonances for SF2/ASF RNA recognition motif 2(RRM2) ; _BMRB_accession_number 7301 _BMRB_flat_file_name bmr7301.str _Entry_type original _Submission_date 2006-09-25 _Accession_date 2006-09-25 _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 Tintaru Aura M. . 2 Hautbergue Guillaume M. . 3 Hounslow Andrea M. . 4 Lian Lu-yun . . 5 Wilson Stuart A. . 6 Craven C. Jeremy . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 553 "13C chemical shifts" 454 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2007-04-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assignment of 1H, 13C, and 15N resonances for SF2 RNA recognition motif 2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17415668 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tintaru Aura M. . 2 Hautbergue Guillaume M. . 3 Hounslow Andrea M. . 4 Lian Lu-yun . . 5 Wilson Stuart A. . 6 Craven C. Jeremy . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 38 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 193 _Page_last 193 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SF2/ASF RRM2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SF2/ASF RRM2' $SF2-ASF_RRM2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SF2-ASF_RRM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SF2/ASF RRM2' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; MAPRGRYGPPSRRSENRVVV SGLPPSGSWQDLKDHMREAG DVCYADVYRDGTGVVEFVRK EDMTYAVRKLDNTKFRSHEG ETAYIRVKVDGPRSPSYGRS RSRSRSRSRSLEH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 106 MET 2 107 ALA 3 108 PRO 4 109 ARG 5 110 GLY 6 111 ARG 7 112 TYR 8 113 GLY 9 114 PRO 10 115 PRO 11 116 SER 12 117 ARG 13 118 ARG 14 119 SER 15 120 GLU 16 121 ASN 17 122 ARG 18 123 VAL 19 124 VAL 20 125 VAL 21 126 SER 22 127 GLY 23 128 LEU 24 129 PRO 25 130 PRO 26 131 SER 27 132 GLY 28 133 SER 29 134 TRP 30 135 GLN 31 136 ASP 32 137 LEU 33 138 LYS 34 139 ASP 35 140 HIS 36 141 MET 37 142 ARG 38 143 GLU 39 144 ALA 40 145 GLY 41 146 ASP 42 147 VAL 43 148 CYS 44 149 TYR 45 150 ALA 46 151 ASP 47 152 VAL 48 153 TYR 49 154 ARG 50 155 ASP 51 156 GLY 52 157 THR 53 158 GLY 54 159 VAL 55 160 VAL 56 161 GLU 57 162 PHE 58 163 VAL 59 164 ARG 60 165 LYS 61 166 GLU 62 167 ASP 63 168 MET 64 169 THR 65 170 TYR 66 171 ALA 67 172 VAL 68 173 ARG 69 174 LYS 70 175 LEU 71 176 ASP 72 177 ASN 73 178 THR 74 179 LYS 75 180 PHE 76 181 ARG 77 182 SER 78 183 HIS 79 184 GLU 80 185 GLY 81 186 GLU 82 187 THR 83 188 ALA 84 189 TYR 85 190 ILE 86 191 ARG 87 192 VAL 88 193 LYS 89 194 VAL 90 195 ASP 91 196 GLY 92 197 PRO 93 198 ARG 94 199 SER 95 200 PRO 96 201 SER 97 202 TYR 98 203 GLY 99 204 ARG 100 205 SER 101 206 ARG 102 207 SER 103 208 ARG 104 209 SER 105 210 ARG 106 211 SER 107 212 ARG 108 213 SER 109 214 ARG 110 215 SER 111 216 LEU 112 217 GLU 113 218 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 19203 RRM2 78.76 90 100.00 100.00 2.25e-57 BMRB 19248 SRSF1_RRM2 80.53 91 100.00 100.00 3.61e-59 PDB 1X4C "Solution Structure Of Rrm Domain In Splicing Factor 2" 84.07 108 100.00 100.00 1.54e-61 PDB 2M7S "Nmr Structure Of Rna Recognition Motif 2 (rrm2) Of Homo Sapiens Splicing Factor, Arginine/serine-rich 1" 78.76 90 100.00 100.00 2.25e-57 PDB 2M8D "Structure Of Srsf1 Rrm2 In Complex With The Rna 5'-ugaaggac-3'" 80.53 91 100.00 100.00 3.61e-59 PDB 2O3D "Structure Of Human Sf2ASF RNA RECOGNITION MOTIF 2 (RRM2)" 100.00 113 100.00 100.00 2.42e-74 PDB 3BEG "Crystal Structure Of Sr Protein Kinase 1 Complexed To Its Substrate Asf/sf2" 96.46 115 100.00 100.00 1.29e-70 PDB 4C0O "Transportin 3 In Complex With Phosphorylated Asf/sf2" 96.46 125 97.25 97.25 1.48e-68 DBJ BAB93456 "OK/SW-cl.3 [Homo sapiens]" 96.46 248 100.00 100.00 3.76e-68 DBJ BAC37367 "unnamed protein product [Mus musculus]" 69.03 201 100.00 100.00 2.36e-47 DBJ BAE29641 "unnamed protein product [Mus musculus]" 96.46 248 100.00 100.00 3.76e-68 DBJ BAE88160 "unnamed protein product [Macaca fascicularis]" 96.46 182 100.00 100.00 2.25e-70 DBJ BAF82622 "unnamed protein product [Homo sapiens]" 96.46 248 99.08 99.08 1.09e-67 EMBL CAG31030 "hypothetical protein RCJMB04_1l5 [Gallus gallus]" 91.15 257 97.09 99.03 2.30e-63 EMBL CAH92288 "hypothetical protein [Pongo abelii]" 96.46 248 99.08 100.00 8.57e-68 GB AAA03476 "SF2p33 [Homo sapiens]" 96.46 248 100.00 100.00 3.76e-68 GB AAA35564 "alternative [Homo sapiens]" 69.03 292 100.00 100.00 6.27e-47 GB AAA35565 "alternative [Homo sapiens]" 96.46 248 100.00 100.00 3.76e-68 GB AAH10264 "Splicing factor, arginine/serine-rich 1 [Homo sapiens]" 96.46 248 100.00 100.00 3.76e-68 GB AAH42354 "Sfrs1 protein, partial [Xenopus laevis]" 96.46 283 98.17 99.08 1.61e-66 REF NP_001006919 "serine/arginine-rich splicing factor 1 [Xenopus (Silurana) tropicalis]" 96.46 267 98.17 99.08 1.77e-66 REF NP_001033096 "serine/arginine-rich splicing factor 1 [Sus scrofa]" 96.46 248 100.00 100.00 3.76e-68 REF NP_001069862 "serine/arginine-rich splicing factor 1 [Bos taurus]" 96.46 248 100.00 100.00 3.76e-68 REF NP_001071635 "serine/arginine-rich splicing factor 1 isoform 2 [Mus musculus]" 69.03 201 100.00 100.00 2.36e-47 REF NP_001103022 "serine/arginine-rich splicing factor 1 [Rattus norvegicus]" 96.46 248 100.00 100.00 3.76e-68 SP Q07955 "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Alternative-splicing factor 1; Short=ASF-1; AltName: Full=S" 96.46 248 100.00 100.00 3.76e-68 SP Q0VCY7 "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Splicing factor, arginine/serine-rich 1 [Bos taurus]" 96.46 248 100.00 100.00 3.76e-68 SP Q3YLA6 "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Splicing factor, arginine/serine-rich 1 [Sus scrofa]" 96.46 248 100.00 100.00 3.76e-68 SP Q5R7H2 "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Splicing factor, arginine/serine-rich 1 [Pongo abelii]" 96.46 248 99.08 100.00 8.57e-68 SP Q5ZML3 "RecName: Full=Serine/arginine-rich splicing factor 1; AltName: Full=Splicing factor, arginine/serine-rich 1 [Gallus gallus]" 91.15 257 97.09 99.03 2.30e-63 TPG DAA19172 "TPA: splicing factor, arginine/serine-rich 1 [Bos taurus]" 96.46 248 100.00 100.00 3.76e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SF2-ASF_RRM2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $SF2-ASF_RRM2 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SF2-ASF_RRM2 1 mM '[U-13C; U-15N]' 'Sodium phosphate' 20 mM . NaCl 50 mM . L-Arg 50 mM . L-Glu 50 mM . EDTA 5 mM . DTT 1 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HBHA(CBCA)CONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCA)CONH _Sample_label $sample_1 save_ save_1H13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _Sample_label $sample_1 save_ save_(H)CCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCH-TOCSY _Sample_label $sample_1 save_ save_H(C)CH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _Sample_label $sample_1 save_ save_15N13C_simultaneously_edited_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N13C simultaneously edited NOESY' _Sample_label $sample_1 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHA(CBCA)CONH _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCA)CONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_(H)CCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_H(C)CH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N13C_simultaneously_edited_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '15N13C simultaneously edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 pH temperature 303 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details ; Amibuity code 5 is used for chemical shifts of serines 206,208,210,212,214,216 that are assigned as identical. Likewise for arginines 205,207,209,211,213,215 ; loop_ _Experiment_label '1H15N HSQC' HNCO HN(CO)CA HNCA CBCA(CO)NH HNCACB HBHA(CBCA)CONH '1H13C HSQC' (H)CCH-TOCSY H(C)CH-TOCSY '15N13C simultaneously edited NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'SF2/ASF RRM2' _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 1 108 3 PRO HA H 4.520 0.02 1 2 108 3 PRO HB2 H 1.910 0.02 2 3 108 3 PRO HB3 H 2.350 0.02 2 4 108 3 PRO HG2 H 2.040 0.02 2 5 108 3 PRO HD2 H 3.850 0.02 2 6 108 3 PRO HD3 H 3.680 0.02 2 7 108 3 PRO C C 176.630 0.2 1 8 108 3 PRO CA C 63.060 0.2 1 9 108 3 PRO CB C 32.070 0.2 1 10 108 3 PRO CG C 27.500 0.2 1 11 108 3 PRO CD C 50.590 0.2 1 12 109 4 ARG H H 8.580 0.02 1 13 109 4 ARG HA H 4.340 0.02 1 14 109 4 ARG HB2 H 1.800 0.02 2 15 109 4 ARG HB3 H 1.930 0.02 2 16 109 4 ARG HG2 H 1.650 0.02 2 17 109 4 ARG HD2 H 3.210 0.02 2 18 109 4 ARG C C 176.920 0.2 1 19 109 4 ARG CA C 56.450 0.2 1 20 109 4 ARG CB C 30.870 0.2 1 21 109 4 ARG CG C 27.300 0.2 1 22 109 4 ARG CD C 43.580 0.2 1 23 109 4 ARG N N 121.920 0.2 1 24 110 5 GLY H H 8.430 0.02 1 25 110 5 GLY HA2 H 3.920 0.02 2 26 110 5 GLY HA3 H 3.990 0.02 2 27 110 5 GLY C C 173.850 0.2 1 28 110 5 GLY CA C 45.220 0.2 1 29 110 5 GLY N N 110.080 0.2 1 30 111 6 ARG H H 8.170 0.02 1 31 111 6 ARG HA H 4.270 0.02 1 32 111 6 ARG HB2 H 1.610 0.02 2 33 111 6 ARG HB3 H 1.700 0.02 2 34 111 6 ARG HG2 H 1.710 0.02 2 35 111 6 ARG HD2 H 3.240 0.02 2 36 111 6 ARG C C 175.960 0.2 1 37 111 6 ARG CA C 56.270 0.2 1 38 111 6 ARG CB C 30.780 0.2 1 39 111 6 ARG CG C 26.860 0.2 1 40 111 6 ARG CD C 43.430 0.2 1 41 111 6 ARG N N 120.780 0.2 1 42 112 7 TYR H H 8.240 0.02 1 43 112 7 TYR HA H 4.680 0.02 1 44 112 7 TYR HB2 H 2.950 0.02 2 45 112 7 TYR HB3 H 3.170 0.02 2 46 112 7 TYR HD1 H 7.160 0.02 1 47 112 7 TYR HD2 H 7.160 0.02 1 48 112 7 TYR HE1 H 6.860 0.02 1 49 112 7 TYR HE2 H 6.860 0.02 1 50 112 7 TYR C C 175.870 0.2 1 51 112 7 TYR CA C 57.570 0.2 1 52 112 7 TYR CB C 39.050 0.2 1 53 112 7 TYR CD1 C 133.320 0.2 1 54 112 7 TYR CD2 C 133.320 0.2 1 55 112 7 TYR CE1 C 118.230 0.2 1 56 112 7 TYR CE2 C 118.230 0.2 1 57 112 7 TYR N N 121.060 0.2 1 58 113 8 GLY H H 8.120 0.02 1 59 113 8 GLY HA2 H 3.660 0.02 2 60 113 8 GLY HA3 H 4.170 0.02 2 61 113 8 GLY C C 171.020 0.2 1 62 113 8 GLY CA C 44.460 0.2 1 63 113 8 GLY N N 110.590 0.2 1 64 115 10 PRO HA H 4.490 0.02 1 65 115 10 PRO HB2 H 1.960 0.02 2 66 115 10 PRO HB3 H 2.330 0.02 2 67 115 10 PRO C C 176.910 0.2 1 68 115 10 PRO CB C 32.890 0.2 1 69 116 11 SER H H 8.360 0.02 1 70 116 11 SER HA H 4.520 0.02 1 71 116 11 SER HB2 H 3.910 0.02 2 72 116 11 SER C C 174.280 0.2 1 73 116 11 SER CA C 58.420 0.2 1 74 116 11 SER CB C 64.070 0.2 1 75 116 11 SER N N 116.040 0.2 1 76 117 12 ARG H H 8.430 0.02 1 77 117 12 ARG HA H 4.410 0.02 1 78 117 12 ARG HB2 H 1.810 0.02 2 79 117 12 ARG HB3 H 1.940 0.02 2 80 117 12 ARG HG2 H 1.690 0.02 2 81 117 12 ARG HD2 H 3.230 0.02 2 82 117 12 ARG C C 174.310 0.2 1 83 117 12 ARG CA C 56.050 0.2 1 84 117 12 ARG CB C 31.430 0.2 1 85 117 12 ARG CG C 26.780 0.2 1 86 117 12 ARG CD C 43.480 0.2 1 87 117 12 ARG N N 123.500 0.2 1 88 118 13 ARG H H 7.970 0.02 1 89 118 13 ARG HA H 4.660 0.02 1 90 118 13 ARG HB2 H 1.510 0.02 2 91 118 13 ARG HB3 H 1.940 0.02 2 92 118 13 ARG HG2 H 1.450 0.02 2 93 118 13 ARG HG3 H 1.280 0.02 2 94 118 13 ARG HD2 H 2.700 0.02 2 95 118 13 ARG C C 176.600 0.2 1 96 118 13 ARG CA C 52.990 0.2 1 97 118 13 ARG CB C 31.310 0.2 1 98 118 13 ARG CG C 26.460 0.2 1 99 118 13 ARG CD C 40.470 0.2 1 100 118 13 ARG N N 119.050 0.2 1 101 119 14 SER H H 8.760 0.02 1 102 119 14 SER HA H 4.730 0.02 1 103 119 14 SER HB2 H 3.750 0.02 2 104 119 14 SER HB3 H 4.150 0.02 2 105 119 14 SER C C 172.530 0.2 1 106 119 14 SER CA C 57.200 0.2 1 107 119 14 SER CB C 66.870 0.2 1 108 119 14 SER N N 117.250 0.2 1 109 120 15 GLU H H 8.510 0.02 1 110 120 15 GLU HA H 4.450 0.02 1 111 120 15 GLU HB2 H 1.890 0.02 2 112 120 15 GLU HB3 H 2.310 0.02 2 113 120 15 GLU HG2 H 2.260 0.02 2 114 120 15 GLU HG3 H 2.350 0.02 2 115 120 15 GLU C C 177.040 0.2 1 116 120 15 GLU CA C 55.480 0.2 1 117 120 15 GLU CB C 29.550 0.2 1 118 120 15 GLU CG C 36.390 0.2 1 119 120 15 GLU N N 115.740 0.2 1 120 121 16 ASN H H 8.420 0.02 1 121 121 16 ASN HA H 5.130 0.02 1 122 121 16 ASN HB2 H 2.740 0.02 2 123 121 16 ASN HB3 H 3.550 0.02 2 124 121 16 ASN HD21 H 6.680 0.02 1 125 121 16 ASN HD22 H 7.030 0.02 1 126 121 16 ASN C C 173.940 0.2 1 127 121 16 ASN CA C 52.660 0.2 1 128 121 16 ASN CB C 36.750 0.2 1 129 121 16 ASN N N 120.370 0.2 1 130 121 16 ASN ND2 N 113.940 0.2 1 131 122 17 ARG H H 7.840 0.02 1 132 122 17 ARG HA H 5.440 0.02 1 133 122 17 ARG HB2 H 1.740 0.02 2 134 122 17 ARG HB3 H 1.950 0.02 2 135 122 17 ARG HG2 H 1.550 0.02 2 136 122 17 ARG HD2 H 3.400 0.02 2 137 122 17 ARG C C 175.880 0.2 1 138 122 17 ARG CA C 55.510 0.2 1 139 122 17 ARG CB C 33.910 0.2 1 140 122 17 ARG CG C 28.860 0.2 1 141 122 17 ARG CD C 43.090 0.2 1 142 122 17 ARG N N 123.840 0.2 1 143 123 18 VAL H H 9.350 0.02 1 144 123 18 VAL HA H 5.190 0.02 1 145 123 18 VAL HB H 2.250 0.02 1 146 123 18 VAL HG1 H 1.020 0.02 2 147 123 18 VAL HG2 H 0.940 0.02 2 148 123 18 VAL C C 174.140 0.2 1 149 123 18 VAL CA C 58.790 0.2 1 150 123 18 VAL CB C 33.970 0.2 1 151 123 18 VAL CG1 C 21.070 0.2 2 152 123 18 VAL CG2 C 23.340 0.2 2 153 123 18 VAL N N 118.520 0.2 1 154 124 19 VAL H H 9.290 0.02 1 155 124 19 VAL HA H 5.070 0.02 1 156 124 19 VAL HB H 2.020 0.02 1 157 124 19 VAL HG2 H 1.020 0.02 2 158 124 19 VAL C C 175.390 0.2 1 159 124 19 VAL CA C 60.230 0.2 1 160 124 19 VAL CB C 34.010 0.2 1 161 124 19 VAL CG1 C 21.070 0.2 2 162 124 19 VAL N N 119.990 0.2 1 163 125 20 VAL H H 8.880 0.02 1 164 125 20 VAL HA H 5.460 0.02 1 165 125 20 VAL HB H 1.670 0.02 1 166 125 20 VAL HG1 H 0.920 0.02 2 167 125 20 VAL HG2 H 0.880 0.02 2 168 125 20 VAL C C 174.590 0.2 1 169 125 20 VAL CA C 59.350 0.2 1 170 125 20 VAL CB C 34.400 0.2 1 171 125 20 VAL CG1 C 21.730 0.2 2 172 125 20 VAL CG2 C 22.210 0.2 2 173 125 20 VAL N N 126.550 0.2 1 174 126 21 SER H H 9.030 0.02 1 175 126 21 SER HA H 5.210 0.02 1 176 126 21 SER HB2 H 3.800 0.02 2 177 126 21 SER HB3 H 3.940 0.02 2 178 126 21 SER C C 173.400 0.2 1 179 126 21 SER CA C 56.950 0.2 1 180 126 21 SER CB C 65.990 0.2 1 181 126 21 SER N N 118.080 0.2 1 182 127 22 GLY H H 8.170 0.02 1 183 127 22 GLY HA2 H 3.710 0.02 2 184 127 22 GLY HA3 H 4.450 0.02 2 185 127 22 GLY C C 175.160 0.2 1 186 127 22 GLY CA C 45.060 0.2 1 187 127 22 GLY N N 108.340 0.2 1 188 128 23 LEU H H 8.530 0.02 1 189 128 23 LEU HA H 3.570 0.02 1 190 128 23 LEU HB2 H 1.360 0.02 2 191 128 23 LEU HB3 H 0.950 0.02 2 192 128 23 LEU HG H 1.030 0.02 1 193 128 23 LEU HD1 H -0.220 0.02 2 194 128 23 LEU HD2 H 0.440 0.02 2 195 128 23 LEU C C 174.980 0.2 1 196 128 23 LEU CA C 53.620 0.2 1 197 128 23 LEU CB C 40.720 0.2 1 198 128 23 LEU CG C 27.140 0.2 1 199 128 23 LEU CD1 C 23.340 0.2 2 200 128 23 LEU CD2 C 25.780 0.2 2 201 128 23 LEU N N 119.260 0.2 1 202 129 24 PRO HA H 4.940 0.02 1 203 129 24 PRO HB2 H 2.230 0.02 2 204 129 24 PRO HB3 H 2.070 0.02 2 205 129 24 PRO HG2 H 1.970 0.02 2 206 129 24 PRO HG3 H 1.790 0.02 2 207 129 24 PRO HD2 H 3.250 0.02 2 208 129 24 PRO HD3 H 3.470 0.02 2 209 129 24 PRO CA C 61.090 0.2 1 210 129 24 PRO CB C 30.540 0.2 1 211 129 24 PRO CG C 26.940 0.2 1 212 129 24 PRO CD C 49.940 0.2 1 213 130 25 PRO HA H 4.380 0.02 1 214 130 25 PRO HB2 H 2.090 0.02 2 215 130 25 PRO HB3 H 2.440 0.02 2 216 130 25 PRO HG2 H 2.100 0.02 2 217 130 25 PRO HG3 H 2.300 0.02 2 218 130 25 PRO HD2 H 3.940 0.02 2 219 130 25 PRO HD3 H 3.860 0.02 2 220 130 25 PRO C C 177.190 0.2 1 221 130 25 PRO CA C 65.510 0.2 1 222 130 25 PRO CB C 31.720 0.2 1 223 130 25 PRO CG C 27.800 0.2 1 224 130 25 PRO CD C 50.830 0.2 1 225 131 26 SER H H 7.420 0.02 1 226 131 26 SER HA H 4.440 0.02 1 227 131 26 SER HB2 H 3.780 0.02 2 228 131 26 SER HB3 H 3.880 0.02 2 229 131 26 SER C C 175.170 0.2 1 230 131 26 SER CA C 58.490 0.2 1 231 131 26 SER CB C 64.000 0.2 1 232 131 26 SER N N 106.310 0.2 1 233 132 27 GLY H H 8.170 0.02 1 234 132 27 GLY HA2 H 3.320 0.02 2 235 132 27 GLY HA3 H 4.630 0.02 2 236 132 27 GLY C C 172.150 0.2 1 237 132 27 GLY CA C 46.760 0.2 1 238 132 27 GLY N N 107.950 0.2 1 239 133 28 SER H H 9.110 0.02 1 240 133 28 SER HA H 5.030 0.02 1 241 133 28 SER HB2 H 3.920 0.02 2 242 133 28 SER HB3 H 4.380 0.02 2 243 133 28 SER C C 175.800 0.2 1 244 133 28 SER CA C 56.020 0.2 1 245 133 28 SER CB C 67.410 0.2 1 246 133 28 SER N N 123.610 0.2 1 247 134 29 TRP H H 9.120 0.02 1 248 134 29 TRP HA H 4.150 0.02 1 249 134 29 TRP HB2 H 3.210 0.02 2 250 134 29 TRP HB3 H 3.310 0.02 2 251 134 29 TRP HD1 H 7.490 0.02 1 252 134 29 TRP HE1 H 10.160 0.02 1 253 134 29 TRP HE3 H 7.220 0.02 1 254 134 29 TRP HZ2 H 7.500 0.02 1 255 134 29 TRP HZ3 H 6.980 0.02 1 256 134 29 TRP HH2 H 7.240 0.02 1 257 134 29 TRP C C 177.750 0.2 1 258 134 29 TRP CA C 60.780 0.2 1 259 134 29 TRP CB C 27.710 0.2 1 260 134 29 TRP CD1 C 128.470 0.2 1 261 134 29 TRP CE3 C 120.210 0.2 1 262 134 29 TRP CZ2 C 115.170 0.2 1 263 134 29 TRP CZ3 C 121.460 0.2 1 264 134 29 TRP CH2 C 124.700 0.2 1 265 134 29 TRP N N 120.090 0.2 1 266 134 29 TRP NE1 N 130.260 0.2 1 267 135 30 GLN H H 7.640 0.02 1 268 135 30 GLN HA H 3.310 0.02 1 269 135 30 GLN HB2 H 1.310 0.02 2 270 135 30 GLN HB3 H 1.540 0.02 2 271 135 30 GLN HG2 H 1.850 0.02 2 272 135 30 GLN HG3 H 0.980 0.02 2 273 135 30 GLN HE21 H 6.410 0.02 1 274 135 30 GLN HE22 H 7.280 0.02 1 275 135 30 GLN C C 177.850 0.2 1 276 135 30 GLN CA C 59.780 0.2 1 277 135 30 GLN CB C 27.240 0.2 1 278 135 30 GLN CG C 33.020 0.2 1 279 135 30 GLN N N 123.110 0.2 1 280 135 30 GLN NE2 N 111.750 0.2 1 281 136 31 ASP H H 7.770 0.02 1 282 136 31 ASP HA H 4.270 0.02 1 283 136 31 ASP HB2 H 2.820 0.02 2 284 136 31 ASP HB3 H 3.390 0.02 2 285 136 31 ASP C C 179.620 0.2 1 286 136 31 ASP CA C 57.130 0.2 1 287 136 31 ASP CB C 41.760 0.2 1 288 136 31 ASP N N 120.100 0.2 1 289 137 32 LEU H H 8.330 0.02 1 290 137 32 LEU HA H 4.320 0.02 1 291 137 32 LEU HB2 H 1.260 0.02 2 292 137 32 LEU HB3 H 2.040 0.02 2 293 137 32 LEU HG H 0.710 0.02 1 294 137 32 LEU HD1 H 0.920 0.02 2 295 137 32 LEU HD2 H 0.870 0.02 2 296 137 32 LEU C C 177.490 0.2 1 297 137 32 LEU CA C 58.310 0.2 1 298 137 32 LEU CB C 41.520 0.2 1 299 137 32 LEU CG C 26.960 0.2 1 300 137 32 LEU CD1 C 23.480 0.2 2 301 137 32 LEU CD2 C 25.160 0.2 2 302 137 32 LEU N N 121.870 0.2 1 303 138 33 LYS H H 8.600 0.02 1 304 138 33 LYS HA H 3.640 0.02 1 305 138 33 LYS HB2 H 1.740 0.02 2 306 138 33 LYS HB3 H 2.040 0.02 2 307 138 33 LYS HG2 H 1.330 0.02 2 308 138 33 LYS HD2 H 1.670 0.02 2 309 138 33 LYS HD3 H 1.730 0.02 2 310 138 33 LYS HE2 H 2.930 0.02 2 311 138 33 LYS C C 178.030 0.2 1 312 138 33 LYS CA C 61.260 0.2 1 313 138 33 LYS CB C 32.090 0.2 1 314 138 33 LYS CG C 25.690 0.2 1 315 138 33 LYS CD C 30.250 0.2 1 316 138 33 LYS CE C 42.020 0.2 1 317 138 33 LYS N N 120.350 0.2 1 318 139 34 ASP H H 8.420 0.02 1 319 139 34 ASP HA H 4.410 0.02 1 320 139 34 ASP HB2 H 2.720 0.02 2 321 139 34 ASP HB3 H 2.840 0.02 2 322 139 34 ASP C C 178.480 0.2 1 323 139 34 ASP CA C 57.660 0.2 1 324 139 34 ASP CB C 40.100 0.2 1 325 139 34 ASP N N 117.610 0.2 1 326 140 35 HIS H H 8.040 0.02 1 327 140 35 HIS HA H 4.240 0.02 1 328 140 35 HIS HB2 H 3.300 0.02 2 329 140 35 HIS HB3 H 3.380 0.02 2 330 140 35 HIS HD2 H 6.900 0.02 1 331 140 35 HIS HE1 H 7.81 0.02 1 332 140 35 HIS C C 177.340 0.2 1 333 140 35 HIS CA C 60.110 0.2 1 334 140 35 HIS CB C 32.690 0.2 1 335 140 35 HIS CD2 C 118.770 0.2 1 336 140 35 HIS CE1 C 139.9 0.2 1 337 140 35 HIS N N 119.580 0.2 1 338 141 36 MET H H 7.930 0.02 1 339 141 36 MET HA H 4.380 0.02 1 340 141 36 MET HB2 H 2.090 0.02 2 341 141 36 MET HB3 H 2.280 0.02 2 342 141 36 MET HG2 H 2.770 0.02 2 343 141 36 MET HG3 H 3.060 0.02 2 344 141 36 MET HE H 2.090 0.02 1 345 141 36 MET C C 177.710 0.2 1 346 141 36 MET CA C 54.980 0.2 1 347 141 36 MET CB C 31.550 0.2 1 348 141 36 MET CG C 33.790 0.2 1 349 141 36 MET CE C 18.410 0.2 1 350 141 36 MET N N 111.740 0.2 1 351 142 37 ARG H H 8.040 0.02 1 352 142 37 ARG HA H 4.760 0.02 1 353 142 37 ARG HB2 H 1.970 0.02 2 354 142 37 ARG HB3 H 2.160 0.02 2 355 142 37 ARG HG2 H 1.790 0.02 2 356 142 37 ARG HD2 H 3.310 0.02 2 357 142 37 ARG HD3 H 3.280 0.02 2 358 142 37 ARG C C 177.450 0.2 1 359 142 37 ARG CA C 58.120 0.2 1 360 142 37 ARG CB C 29.520 0.2 1 361 142 37 ARG CG C 27.070 0.2 1 362 142 37 ARG CD C 43.840 0.2 1 363 142 37 ARG N N 119.400 0.2 1 364 143 38 GLU H H 7.590 0.02 1 365 143 38 GLU HA H 4.110 0.02 1 366 143 38 GLU HB2 H 1.950 0.02 2 367 143 38 GLU HB3 H 2.180 0.02 2 368 143 38 GLU HG2 H 2.270 0.02 2 369 143 38 GLU HG3 H 2.350 0.02 2 370 143 38 GLU C C 177.110 0.2 1 371 143 38 GLU CA C 58.360 0.2 1 372 143 38 GLU CB C 30.020 0.2 1 373 143 38 GLU CG C 36.300 0.2 1 374 143 38 GLU N N 118.530 0.2 1 375 144 39 ALA H H 8.070 0.02 1 376 144 39 ALA HA H 4.140 0.02 1 377 144 39 ALA HB H 1.540 0.02 1 378 144 39 ALA C C 175.510 0.2 1 379 144 39 ALA CA C 53.020 0.2 1 380 144 39 ALA CB C 20.220 0.2 1 381 144 39 ALA N N 118.390 0.2 1 382 145 40 GLY H H 7.280 0.02 1 383 145 40 GLY HA2 H 3.720 0.02 2 384 145 40 GLY HA3 H 4.600 0.02 2 385 145 40 GLY C C 172.070 0.2 1 386 145 40 GLY CA C 44.120 0.2 1 387 145 40 GLY N N 102.050 0.2 1 388 146 41 ASP H H 7.970 0.02 1 389 146 41 ASP HA H 4.580 0.02 1 390 146 41 ASP HB2 H 2.740 0.02 2 391 146 41 ASP C C 176.780 0.2 1 392 146 41 ASP CA C 56.040 0.2 1 393 146 41 ASP CB C 40.910 0.2 1 394 146 41 ASP N N 116.400 0.2 1 395 147 42 VAL H H 8.460 0.02 1 396 147 42 VAL HA H 4.160 0.02 1 397 147 42 VAL HB H 1.900 0.02 1 398 147 42 VAL HG1 H 0.720 0.02 2 399 147 42 VAL HG2 H 0.730 0.02 2 400 147 42 VAL C C 175.820 0.2 1 401 147 42 VAL CA C 61.540 0.2 1 402 147 42 VAL CB C 34.390 0.2 1 403 147 42 VAL CG1 C 21.690 0.2 2 404 147 42 VAL CG2 C 22.700 0.2 2 405 147 42 VAL N N 127.930 0.2 1 406 148 43 CYS H H 8.890 0.02 1 407 148 43 CYS HA H 4.910 0.02 1 408 148 43 CYS HB2 H 2.580 0.02 2 409 148 43 CYS HB3 H 3.270 0.02 2 410 148 43 CYS C C 173.480 0.2 1 411 148 43 CYS CA C 56.850 0.2 1 412 148 43 CYS CB C 29.210 0.2 1 413 148 43 CYS N N 122.540 0.2 1 414 149 44 TYR H H 7.500 0.02 1 415 149 44 TYR HA H 4.580 0.02 1 416 149 44 TYR HB2 H 2.610 0.02 2 417 149 44 TYR HB3 H 3.390 0.02 2 418 149 44 TYR HD1 H 6.750 0.02 1 419 149 44 TYR HD2 H 6.750 0.02 1 420 149 44 TYR HE1 H 6.540 0.02 1 421 149 44 TYR HE2 H 6.540 0.02 1 422 149 44 TYR C C 172.200 0.2 1 423 149 44 TYR CA C 58.640 0.2 1 424 149 44 TYR CB C 42.450 0.2 1 425 149 44 TYR CD1 C 132.600 0.2 1 426 149 44 TYR CD2 C 132.600 0.2 1 427 149 44 TYR CE1 C 118.230 0.2 1 428 149 44 TYR CE2 C 118.230 0.2 1 429 149 44 TYR N N 122.430 0.2 1 430 150 45 ALA H H 7.210 0.02 1 431 150 45 ALA HA H 5.060 0.02 1 432 150 45 ALA HB H 1.280 0.02 1 433 150 45 ALA C C 173.810 0.2 1 434 150 45 ALA CA C 50.770 0.2 1 435 150 45 ALA CB C 22.800 0.2 1 436 150 45 ALA N N 127.220 0.2 1 437 151 46 ASP H H 8.570 0.02 1 438 151 46 ASP HA H 4.740 0.02 1 439 151 46 ASP HB2 H 2.270 0.02 2 440 151 46 ASP C C 173.980 0.2 1 441 151 46 ASP CA C 53.320 0.2 1 442 151 46 ASP CB C 44.410 0.2 1 443 151 46 ASP N N 117.630 0.2 1 444 152 47 VAL H H 8.200 0.02 1 445 152 47 VAL HA H 4.380 0.02 1 446 152 47 VAL HB H 1.930 0.02 1 447 152 47 VAL HG1 H 0.800 0.02 2 448 152 47 VAL HG2 H 0.840 0.02 2 449 152 47 VAL C C 174.470 0.2 1 450 152 47 VAL CA C 60.870 0.2 1 451 152 47 VAL CB C 35.360 0.2 1 452 152 47 VAL CG1 C 21.210 0.2 2 453 152 47 VAL CG2 C 22.390 0.2 2 454 152 47 VAL N N 116.640 0.2 1 455 153 48 TYR H H 8.760 0.02 1 456 153 48 TYR HA H 5.050 0.02 1 457 153 48 TYR HB2 H 3.060 0.02 2 458 153 48 TYR HB3 H 3.310 0.02 2 459 153 48 TYR HD1 H 7.150 0.02 1 460 153 48 TYR HD2 H 7.150 0.02 1 461 153 48 TYR HE1 H 6.730 0.02 1 462 153 48 TYR HE2 H 6.730 0.02 1 463 153 48 TYR C C 177.010 0.2 1 464 153 48 TYR CA C 56.160 0.2 1 465 153 48 TYR CB C 38.680 0.2 1 466 153 48 TYR CD1 C 132.600 0.2 1 467 153 48 TYR CD2 C 132.600 0.2 1 468 153 48 TYR CE1 C 118.050 0.2 1 469 153 48 TYR CE2 C 118.050 0.2 1 470 153 48 TYR N N 124.250 0.2 1 471 154 49 ARG H H 8.590 0.02 1 472 154 49 ARG HA H 4.300 0.02 1 473 154 49 ARG HB2 H 2.020 0.02 2 474 154 49 ARG HB3 H 2.120 0.02 2 475 154 49 ARG HG2 H 1.790 0.02 2 476 154 49 ARG HD2 H 3.320 0.02 2 477 154 49 ARG C C 175.450 0.2 1 478 154 49 ARG CA C 57.970 0.2 1 479 154 49 ARG CB C 29.170 0.2 1 480 154 49 ARG CG C 27.270 0.2 1 481 154 49 ARG CD C 43.600 0.2 1 482 154 49 ARG N N 117.620 0.2 1 483 155 50 ASP H H 8.050 0.02 1 484 155 50 ASP HA H 4.690 0.02 1 485 155 50 ASP HB2 H 2.600 0.02 2 486 155 50 ASP HB3 H 3.150 0.02 2 487 155 50 ASP C C 177.090 0.2 1 488 155 50 ASP CA C 52.940 0.2 1 489 155 50 ASP CB C 40.450 0.2 1 490 155 50 ASP N N 117.600 0.2 1 491 156 51 GLY H H 8.150 0.02 1 492 156 51 GLY HA2 H 4.340 0.02 2 493 156 51 GLY HA3 H 3.820 0.02 2 494 156 51 GLY C C 173.520 0.2 1 495 156 51 GLY CA C 46.100 0.2 1 496 156 51 GLY N N 108.330 0.2 1 497 157 52 THR H H 7.780 0.02 1 498 157 52 THR HA H 5.630 0.02 1 499 157 52 THR HB H 4.410 0.02 1 500 157 52 THR HG2 H 1.170 0.02 1 501 157 52 THR C C 174.110 0.2 1 502 157 52 THR CA C 59.870 0.2 1 503 157 52 THR CB C 72.590 0.2 1 504 157 52 THR CG2 C 21.350 0.2 1 505 157 52 THR N N 110.260 0.2 1 506 158 53 GLY H H 8.920 0.02 1 507 158 53 GLY HA2 H 3.720 0.02 2 508 158 53 GLY HA3 H 4.440 0.02 2 509 158 53 GLY C C 171.670 0.2 1 510 158 53 GLY CA C 45.790 0.2 1 511 158 53 GLY N N 106.020 0.2 1 512 159 54 VAL H H 8.690 0.02 1 513 159 54 VAL HA H 5.520 0.02 1 514 159 54 VAL HB H 2.110 0.02 1 515 159 54 VAL HG1 H 1.060 0.02 2 516 159 54 VAL HG2 H 1.100 0.02 2 517 159 54 VAL C C 174.070 0.2 1 518 159 54 VAL CA C 59.530 0.2 1 519 159 54 VAL CB C 36.170 0.2 1 520 159 54 VAL CG1 C 20.380 0.2 2 521 159 54 VAL CG2 C 21.510 0.2 2 522 159 54 VAL N N 116.240 0.2 1 523 160 55 VAL H H 8.530 0.02 1 524 160 55 VAL HA H 4.740 0.02 1 525 160 55 VAL HB H 1.810 0.02 1 526 160 55 VAL HG1 H 0.840 0.02 2 527 160 55 VAL HG2 H 0.470 0.02 2 528 160 55 VAL C C 174.030 0.2 1 529 160 55 VAL CA C 60.770 0.2 1 530 160 55 VAL CB C 35.240 0.2 1 531 160 55 VAL CG1 C 22.420 0.2 2 532 160 55 VAL CG2 C 23.130 0.2 2 533 160 55 VAL N N 120.350 0.2 1 534 161 56 GLU H H 9.010 0.02 1 535 161 56 GLU HA H 5.080 0.02 1 536 161 56 GLU HB2 H 2.000 0.02 2 537 161 56 GLU HB3 H 2.170 0.02 2 538 161 56 GLU HG2 H 2.170 0.02 2 539 161 56 GLU HG3 H 2.220 0.02 2 540 161 56 GLU C C 175.750 0.2 1 541 161 56 GLU CA C 54.170 0.2 1 542 161 56 GLU CB C 31.430 0.2 1 543 161 56 GLU CG C 36.730 0.2 1 544 161 56 GLU N N 124.300 0.2 1 545 162 57 PHE H H 8.660 0.02 1 546 162 57 PHE HA H 5.130 0.02 1 547 162 57 PHE HB2 H 2.640 0.02 2 548 162 57 PHE HB3 H 3.850 0.02 2 549 162 57 PHE HD1 H 7.160 0.02 1 550 162 57 PHE HD2 H 7.160 0.02 1 551 162 57 PHE HE1 H 7.120 0.02 1 552 162 57 PHE HE2 H 7.120 0.02 1 553 162 57 PHE C C 177.470 0.2 1 554 162 57 PHE CA C 57.800 0.2 1 555 162 57 PHE CB C 41.680 0.2 1 556 162 57 PHE CD1 C 131.3 0.2 1 557 162 57 PHE CD2 C 131.3 0.2 1 558 162 57 PHE CE1 C 131.3 0.2 1 559 162 57 PHE CE2 C 131.3 0.2 1 560 162 57 PHE N N 120.460 0.2 1 561 163 58 VAL H H 8.220 0.02 1 562 163 58 VAL HA H 3.690 0.02 1 563 163 58 VAL HB H 2.320 0.02 1 564 163 58 VAL HG1 H 1.060 0.02 2 565 163 58 VAL HG2 H 1.000 0.02 2 566 163 58 VAL C C 176.670 0.2 1 567 163 58 VAL CA C 67.190 0.2 1 568 163 58 VAL CB C 32.010 0.2 1 569 163 58 VAL CG1 C 21.530 0.2 2 570 163 58 VAL CG2 C 23.470 0.2 2 571 163 58 VAL N N 125.390 0.2 1 572 164 59 ARG H H 9.590 0.02 1 573 164 59 ARG HA H 4.860 0.02 1 574 164 59 ARG HB2 H 1.870 0.02 2 575 164 59 ARG HB3 H 2.070 0.02 2 576 164 59 ARG HG2 H 1.730 0.02 2 577 164 59 ARG HD2 H 3.310 0.02 2 578 164 59 ARG HD3 H 3.370 0.02 2 579 164 59 ARG C C 177.540 0.2 1 580 164 59 ARG CA C 54.810 0.2 1 581 164 59 ARG CB C 32.020 0.2 1 582 164 59 ARG CG C 26.980 0.2 1 583 164 59 ARG CD C 43.650 0.2 1 584 164 59 ARG N N 117.370 0.2 1 585 165 60 LYS H H 9.050 0.02 1 586 165 60 LYS HA H 3.740 0.02 1 587 165 60 LYS HB2 H 1.830 0.02 2 588 165 60 LYS HB3 H 1.970 0.02 2 589 165 60 LYS HG2 H 1.460 0.02 2 590 165 60 LYS HD2 H 1.760 0.02 2 591 165 60 LYS HE2 H 3.040 0.02 2 592 165 60 LYS C C 178.640 0.2 1 593 165 60 LYS CA C 60.270 0.2 1 594 165 60 LYS CB C 32.110 0.2 1 595 165 60 LYS CG C 25.040 0.2 1 596 165 60 LYS CD C 29.510 0.2 1 597 165 60 LYS CE C 42.060 0.2 1 598 165 60 LYS N N 127.400 0.2 1 599 166 61 GLU H H 9.920 0.02 1 600 166 61 GLU HA H 4.110 0.02 1 601 166 61 GLU HB2 H 2.010 0.02 2 602 166 61 GLU HG2 H 2.340 0.02 2 603 166 61 GLU HG3 H 2.430 0.02 2 604 166 61 GLU C C 178.330 0.2 1 605 166 61 GLU CA C 59.640 0.2 1 606 166 61 GLU CB C 28.570 0.2 1 607 166 61 GLU CG C 36.560 0.2 1 608 166 61 GLU N N 117.770 0.2 1 609 167 62 ASP H H 6.870 0.02 1 610 167 62 ASP HA H 4.450 0.02 1 611 167 62 ASP HB2 H 2.420 0.02 2 612 167 62 ASP HB3 H 2.870 0.02 2 613 167 62 ASP C C 176.480 0.2 1 614 167 62 ASP CA C 56.260 0.2 1 615 167 62 ASP CB C 39.770 0.2 1 616 167 62 ASP N N 121.410 0.2 1 617 168 63 MET H H 6.970 0.02 1 618 168 63 MET HA H 3.200 0.02 1 619 168 63 MET HB2 H 1.880 0.02 2 620 168 63 MET HB3 H 2.540 0.02 2 621 168 63 MET HG2 H 2.130 0.02 2 622 168 63 MET HG3 H 2.410 0.02 2 623 168 63 MET HE H 2.170 0.02 1 624 168 63 MET C C 177.010 0.2 1 625 168 63 MET CA C 59.020 0.2 1 626 168 63 MET CB C 32.840 0.2 1 627 168 63 MET CG C 31.200 0.2 1 628 168 63 MET CE C 17.570 0.2 1 629 168 63 MET N N 120.220 0.2 1 630 169 64 THR H H 8.010 0.02 1 631 169 64 THR HA H 3.750 0.02 1 632 169 64 THR HB H 4.190 0.02 1 633 169 64 THR HG2 H 1.250 0.02 1 634 169 64 THR C C 176.470 0.2 1 635 169 64 THR CA C 66.510 0.2 1 636 169 64 THR CB C 68.400 0.2 1 637 169 64 THR CG2 C 22.470 0.2 1 638 169 64 THR N N 113.800 0.2 1 639 170 65 TYR H H 7.630 0.02 1 640 170 65 TYR HA H 4.110 0.02 1 641 170 65 TYR HB2 H 3.190 0.02 2 642 170 65 TYR HD1 H 7.060 0.02 1 643 170 65 TYR HD2 H 7.060 0.02 1 644 170 65 TYR HE1 H 6.740 0.02 1 645 170 65 TYR HE2 H 6.740 0.02 1 646 170 65 TYR C C 176.880 0.2 1 647 170 65 TYR CA C 61.380 0.2 1 648 170 65 TYR CB C 38.230 0.2 1 649 170 65 TYR CD1 C 133.150 0.2 1 650 170 65 TYR CD2 C 133.150 0.2 1 651 170 65 TYR CE1 C 117.690 0.2 1 652 170 65 TYR CE2 C 117.690 0.2 1 653 170 65 TYR N N 122.590 0.2 1 654 171 66 ALA H H 8.250 0.02 1 655 171 66 ALA HA H 3.760 0.02 1 656 171 66 ALA HB H 1.400 0.02 1 657 171 66 ALA C C 179.420 0.2 1 658 171 66 ALA CA C 55.710 0.2 1 659 171 66 ALA CB C 19.080 0.2 1 660 171 66 ALA N N 120.820 0.2 1 661 172 67 VAL H H 7.690 0.02 1 662 172 67 VAL HA H 3.470 0.02 1 663 172 67 VAL HB H 2.160 0.02 1 664 172 67 VAL HG1 H 1.060 0.02 2 665 172 67 VAL HG2 H 1.040 0.02 2 666 172 67 VAL C C 177.250 0.2 1 667 172 67 VAL CA C 66.410 0.2 1 668 172 67 VAL CB C 31.830 0.2 1 669 172 67 VAL CG1 C 21.510 0.2 2 670 172 67 VAL CG2 C 23.150 0.2 2 671 172 67 VAL N N 115.330 0.2 1 672 173 68 ARG H H 7.620 0.02 1 673 173 68 ARG HA H 4.160 0.02 1 674 173 68 ARG HB2 H 1.840 0.02 2 675 173 68 ARG HG2 H 1.650 0.02 2 676 173 68 ARG HD2 H 3.210 0.02 2 677 173 68 ARG C C 178.590 0.2 1 678 173 68 ARG CA C 58.740 0.2 1 679 173 68 ARG CB C 30.900 0.2 1 680 173 68 ARG CG C 27.220 0.2 1 681 173 68 ARG CD C 43.560 0.2 1 682 173 68 ARG N N 116.570 0.2 1 683 174 69 LYS H H 8.720 0.02 1 684 174 69 LYS HA H 4.330 0.02 1 685 174 69 LYS HB2 H 1.170 0.02 2 686 174 69 LYS HB3 H 1.390 0.02 2 687 174 69 LYS HG2 H 1.030 0.02 2 688 174 69 LYS HG3 H 0.950 0.02 2 689 174 69 LYS HD2 H 1.500 0.02 2 690 174 69 LYS HD3 H 1.430 0.02 2 691 174 69 LYS HE2 H 3.040 0.02 2 692 174 69 LYS HE3 H 2.960 0.02 2 693 174 69 LYS C C 177.820 0.2 1 694 174 69 LYS CA C 56.370 0.2 1 695 174 69 LYS CB C 33.430 0.2 1 696 174 69 LYS CG C 24.360 0.2 1 697 174 69 LYS CD C 28.270 0.2 1 698 174 69 LYS CE C 42.340 0.2 1 699 174 69 LYS N N 115.500 0.2 1 700 175 70 LEU H H 8.260 0.02 1 701 175 70 LEU HA H 4.940 0.02 1 702 175 70 LEU HB2 H 2.300 0.02 2 703 175 70 LEU HB3 H 1.590 0.02 2 704 175 70 LEU HG H 1.230 0.02 1 705 175 70 LEU HD1 H 0.930 0.02 2 706 175 70 LEU HD2 H 0.940 0.02 2 707 175 70 LEU C C 178.360 0.2 1 708 175 70 LEU CA C 54.220 0.2 1 709 175 70 LEU CB C 41.720 0.2 1 710 175 70 LEU CG C 27.540 0.2 1 711 175 70 LEU CD1 C 23.590 0.2 2 712 175 70 LEU CD2 C 25.040 0.2 2 713 175 70 LEU N N 114.930 0.2 1 714 176 71 ASP H H 6.980 0.02 1 715 176 71 ASP HA H 4.500 0.02 1 716 176 71 ASP HB2 H 3.350 0.02 2 717 176 71 ASP HB3 H 2.650 0.02 2 718 176 71 ASP C C 176.490 0.2 1 719 176 71 ASP CA C 56.990 0.2 1 720 176 71 ASP CB C 42.010 0.2 1 721 176 71 ASP N N 119.820 0.2 1 722 177 72 ASN H H 9.150 0.02 1 723 177 72 ASN HA H 4.780 0.02 1 724 177 72 ASN HB2 H 2.590 0.02 2 725 177 72 ASN HB3 H 3.340 0.02 2 726 177 72 ASN HD21 H 6.350 0.02 1 727 177 72 ASN HD22 H 7.500 0.02 1 728 177 72 ASN C C 175.080 0.2 1 729 177 72 ASN CA C 54.410 0.2 1 730 177 72 ASN CB C 37.560 0.2 1 731 177 72 ASN N N 123.690 0.2 1 732 177 72 ASN ND2 N 110.220 0.2 1 733 178 73 THR H H 7.290 0.02 1 734 178 73 THR HA H 4.780 0.02 1 735 178 73 THR HB H 4.500 0.02 1 736 178 73 THR HG2 H 1.440 0.02 1 737 178 73 THR C C 173.630 0.2 1 738 178 73 THR CA C 60.160 0.2 1 739 178 73 THR CB C 73.160 0.2 1 740 178 73 THR CG2 C 23.890 0.2 1 741 178 73 THR N N 105.100 0.2 1 742 179 74 LYS H H 8.460 0.02 1 743 179 74 LYS HA H 3.800 0.02 1 744 179 74 LYS HB2 H 1.300 0.02 2 745 179 74 LYS HB3 H 1.720 0.02 2 746 179 74 LYS HG2 H 0.720 0.02 2 747 179 74 LYS HG3 H 0.910 0.02 2 748 179 74 LYS HD2 H 1.580 0.02 2 749 179 74 LYS HE2 H 2.860 0.02 2 750 179 74 LYS HE3 H 2.930 0.02 2 751 179 74 LYS C C 174.540 0.2 1 752 179 74 LYS CA C 56.600 0.2 1 753 179 74 LYS CB C 32.400 0.2 1 754 179 74 LYS CG C 25.160 0.2 1 755 179 74 LYS CD C 29.590 0.2 1 756 179 74 LYS CE C 41.830 0.2 1 757 179 74 LYS N N 120.170 0.2 1 758 180 75 PHE H H 9.320 0.02 1 759 180 75 PHE HA H 4.450 0.02 1 760 180 75 PHE HB2 H 2.250 0.02 2 761 180 75 PHE HB3 H 2.850 0.02 2 762 180 75 PHE HD1 H 6.540 0.02 1 763 180 75 PHE HD2 H 6.540 0.02 1 764 180 75 PHE HZ H 6.760 0.02 1 765 180 75 PHE C C 172.700 0.2 1 766 180 75 PHE CA C 56.110 0.2 1 767 180 75 PHE CB C 42.980 0.2 1 768 180 75 PHE CD1 C 131.890 0.2 1 769 180 75 PHE CD2 C 131.890 0.2 1 770 180 75 PHE CZ C 129.550 0.2 1 771 180 75 PHE N N 132.550 0.2 1 772 181 76 ARG H H 8.340 0.02 1 773 181 76 ARG HA H 4.920 0.02 1 774 181 76 ARG HB2 H 1.350 0.02 2 775 181 76 ARG HB3 H 1.540 0.02 2 776 181 76 ARG HG2 H 1.180 0.02 2 777 181 76 ARG HD2 H 3.060 0.02 2 778 181 76 ARG C C 174.930 0.2 1 779 181 76 ARG CA C 53.740 0.2 1 780 181 76 ARG CB C 32.860 0.2 1 781 181 76 ARG CG C 27.320 0.2 1 782 181 76 ARG CD C 43.430 0.2 1 783 181 76 ARG N N 128.410 0.2 1 784 182 77 SER H H 9.170 0.02 1 785 182 77 SER HA H 4.400 0.02 1 786 182 77 SER HB2 H 3.750 0.02 2 787 182 77 SER HB3 H 4.480 0.02 2 788 182 77 SER C C 176.480 0.2 1 789 182 77 SER CA C 56.170 0.2 1 790 182 77 SER CB C 66.630 0.2 1 791 182 77 SER N N 120.850 0.2 1 792 183 78 HIS H H 9.780 0.02 1 793 183 78 HIS HA H 4.490 0.02 1 794 183 78 HIS HB2 H 3.490 0.02 2 795 183 78 HIS HB3 H 4.000 0.02 2 796 183 78 HIS HD2 H 7.520 0.02 1 797 183 78 HIS HE1 H 8.75 0.02 1 798 183 78 HIS C C 175.420 0.2 1 799 183 78 HIS CA C 58.700 0.2 1 800 183 78 HIS CB C 26.930 0.2 1 801 183 78 HIS CD2 C 120.920 0.2 1 802 183 78 HIS CE1 C 137.7 0.2 1 803 183 78 HIS N N 118.730 0.2 1 804 184 79 GLU H H 7.140 0.02 1 805 184 79 GLU HA H 4.450 0.02 1 806 184 79 GLU HB2 H 1.370 0.02 2 807 184 79 GLU HB3 H 2.290 0.02 2 808 184 79 GLU HG2 H 1.750 0.02 2 809 184 79 GLU HG3 H 1.890 0.02 2 810 184 79 GLU C C 176.340 0.2 1 811 184 79 GLU CA C 55.710 0.2 1 812 184 79 GLU CB C 30.070 0.2 1 813 184 79 GLU CG C 36.290 0.2 1 814 184 79 GLU N N 116.710 0.2 1 815 185 80 GLY H H 7.930 0.02 1 816 185 80 GLY HA2 H 3.390 0.02 2 817 185 80 GLY HA3 H 4.230 0.02 2 818 185 80 GLY C C 174.330 0.2 1 819 185 80 GLY CA C 45.210 0.2 1 820 185 80 GLY N N 108.010 0.2 1 821 186 81 GLU H H 7.170 0.02 1 822 186 81 GLU HA H 4.450 0.02 1 823 186 81 GLU HB2 H 1.710 0.02 2 824 186 81 GLU HB3 H 1.950 0.02 2 825 186 81 GLU HG2 H 2.160 0.02 2 826 186 81 GLU HG3 H 2.260 0.02 2 827 186 81 GLU C C 176.220 0.2 1 828 186 81 GLU CA C 56.560 0.2 1 829 186 81 GLU CB C 31.790 0.2 1 830 186 81 GLU CG C 37.750 0.2 1 831 186 81 GLU N N 118.960 0.2 1 832 187 82 THR H H 8.560 0.02 1 833 187 82 THR HA H 5.870 0.02 1 834 187 82 THR HB H 3.930 0.02 1 835 187 82 THR HG2 H 1.090 0.02 1 836 187 82 THR C C 174.400 0.2 1 837 187 82 THR CA C 59.510 0.2 1 838 187 82 THR CB C 72.050 0.2 1 839 187 82 THR CG2 C 21.270 0.2 1 840 187 82 THR N N 114.310 0.2 1 841 188 83 ALA H H 8.780 0.02 1 842 188 83 ALA HA H 4.560 0.02 1 843 188 83 ALA HB H 1.480 0.02 1 844 188 83 ALA C C 175.420 0.2 1 845 188 83 ALA CA C 51.830 0.2 1 846 188 83 ALA CB C 24.030 0.2 1 847 188 83 ALA N N 123.160 0.2 1 848 189 84 TYR H H 8.760 0.02 1 849 189 84 TYR HA H 5.100 0.02 1 850 189 84 TYR HB2 H 2.810 0.02 2 851 189 84 TYR HB3 H 2.870 0.02 2 852 189 84 TYR HD1 H 7.000 0.02 1 853 189 84 TYR HD2 H 7.000 0.02 1 854 189 84 TYR HE1 H 6.860 0.02 1 855 189 84 TYR HE2 H 6.860 0.02 1 856 189 84 TYR C C 176.690 0.2 1 857 189 84 TYR CA C 58.660 0.2 1 858 189 84 TYR CB C 38.580 0.2 1 859 189 84 TYR CD1 C 133.320 0.2 1 860 189 84 TYR CD2 C 133.320 0.2 1 861 189 84 TYR CE1 C 118.230 0.2 1 862 189 84 TYR CE2 C 118.230 0.2 1 863 189 84 TYR N N 120.550 0.2 1 864 190 85 ILE H H 8.270 0.02 1 865 190 85 ILE HA H 4.980 0.02 1 866 190 85 ILE HB H 1.840 0.02 1 867 190 85 ILE HG12 H 1.200 0.02 1 868 190 85 ILE HG13 H 1.610 0.02 1 869 190 85 ILE HG2 H 0.460 0.02 1 870 190 85 ILE HD1 H 0.530 0.02 1 871 190 85 ILE C C 175.820 0.2 1 872 190 85 ILE CA C 59.660 0.2 1 873 190 85 ILE CB C 40.760 0.2 1 874 190 85 ILE CG1 C 25.060 0.2 1 875 190 85 ILE CG2 C 17.840 0.2 1 876 190 85 ILE CD1 C 14.740 0.2 1 877 190 85 ILE N N 115.910 0.2 1 878 191 86 ARG H H 8.350 0.02 1 879 191 86 ARG HA H 5.370 0.02 1 880 191 86 ARG HB2 H 1.840 0.02 2 881 191 86 ARG HB3 H 1.920 0.02 2 882 191 86 ARG HG2 H 1.600 0.02 2 883 191 86 ARG HG3 H 1.760 0.02 2 884 191 86 ARG HD2 H 3.160 0.02 2 885 191 86 ARG HD3 H 3.320 0.02 2 886 191 86 ARG HE H 8.950 0.02 1 887 191 86 ARG C C 176.220 0.2 1 888 191 86 ARG CA C 51.970 0.2 1 889 191 86 ARG CB C 30.030 0.2 1 890 191 86 ARG CG C 25.740 0.2 1 891 191 86 ARG CD C 41.060 0.2 1 892 191 86 ARG N N 117.360 0.2 1 893 191 86 ARG NE N 119.850 0.2 1 894 192 87 VAL H H 9.130 0.02 1 895 192 87 VAL HA H 4.750 0.02 1 896 192 87 VAL HB H 1.870 0.02 1 897 192 87 VAL HG1 H 0.830 0.02 2 898 192 87 VAL HG2 H 0.890 0.02 2 899 192 87 VAL C C 173.920 0.2 1 900 192 87 VAL CA C 61.570 0.2 1 901 192 87 VAL CB C 35.110 0.2 1 902 192 87 VAL CG1 C 22.270 0.2 1 903 192 87 VAL CG2 C 22.270 0.2 1 904 192 87 VAL N N 121.830 0.2 1 905 193 88 LYS H H 8.710 0.02 1 906 193 88 LYS HA H 4.870 0.02 1 907 193 88 LYS HB2 H 1.740 0.02 2 908 193 88 LYS HB3 H 1.910 0.02 2 909 193 88 LYS HG2 H 1.340 0.02 2 910 193 88 LYS HD2 H 1.700 0.02 2 911 193 88 LYS HE2 H 2.850 0.02 2 912 193 88 LYS C C 175.200 0.2 1 913 193 88 LYS CA C 54.450 0.2 1 914 193 88 LYS CB C 36.710 0.2 1 915 193 88 LYS CG C 24.580 0.2 1 916 193 88 LYS CD C 29.580 0.2 1 917 193 88 LYS CE C 41.510 0.2 1 918 193 88 LYS N N 123.310 0.2 1 919 194 89 VAL H H 8.710 0.02 1 920 194 89 VAL HA H 4.100 0.02 1 921 194 89 VAL HB H 2.140 0.02 1 922 194 89 VAL HG1 H 1.150 0.02 2 923 194 89 VAL C C 176.160 0.2 1 924 194 89 VAL CA C 64.320 0.2 1 925 194 89 VAL CB C 32.420 0.2 1 926 194 89 VAL CG1 C 21.830 0.2 2 927 194 89 VAL N N 120.750 0.2 1 928 195 90 ASP H H 8.320 0.02 1 929 195 90 ASP HA H 4.800 0.02 1 930 195 90 ASP HB2 H 2.380 0.02 2 931 195 90 ASP HB3 H 2.700 0.02 2 932 195 90 ASP C C 176.110 0.2 1 933 195 90 ASP CA C 54.060 0.2 1 934 195 90 ASP CB C 42.580 0.2 1 935 195 90 ASP N N 126.080 0.2 1 936 196 91 GLY H H 8.030 0.02 1 937 196 91 GLY HA2 H 4.030 0.02 2 938 196 91 GLY HA3 H 4.270 0.02 2 939 196 91 GLY C C 171.370 0.2 1 940 196 91 GLY CA C 44.850 0.2 1 941 196 91 GLY N N 111.300 0.2 1 942 197 92 PRO HA H 4.390 0.02 1 943 197 92 PRO HB2 H 1.910 0.02 2 944 197 92 PRO HB3 H 2.290 0.02 2 945 197 92 PRO HG2 H 2.080 0.02 2 946 197 92 PRO HD2 H 3.740 0.02 2 947 197 92 PRO HD3 H 3.610 0.02 2 948 197 92 PRO C C 177.240 0.2 1 949 197 92 PRO CA C 63.250 0.2 1 950 197 92 PRO CB C 32.110 0.2 1 951 197 92 PRO CG C 27.490 0.2 1 952 197 92 PRO CD C 50.560 0.2 1 953 198 93 ARG H H 8.490 0.02 1 954 198 93 ARG HA H 4.380 0.02 1 955 198 93 ARG HB2 H 1.760 0.02 2 956 198 93 ARG HB3 H 1.840 0.02 2 957 198 93 ARG HG2 H 1.610 0.02 2 958 198 93 ARG HD2 H 3.200 0.02 2 959 198 93 ARG C C 176.180 0.2 1 960 198 93 ARG CA C 55.790 0.2 1 961 198 93 ARG CB C 31.040 0.2 1 962 198 93 ARG CG C 27.090 0.2 1 963 198 93 ARG CD C 43.240 0.2 1 964 198 93 ARG N N 121.160 0.2 1 965 199 94 SER H H 8.330 0.02 1 966 199 94 SER HA H 4.750 0.02 1 967 199 94 SER HB2 H 3.910 0.02 2 968 199 94 SER HB3 H 4.460 0.02 2 969 199 94 SER C C 173.200 0.2 1 970 199 94 SER CA C 56.520 0.2 1 971 199 94 SER CB C 63.450 0.2 1 972 199 94 SER N N 118.390 0.2 1 973 200 95 PRO HA H 4.500 0.02 1 974 200 95 PRO HB2 H 1.810 0.02 2 975 200 95 PRO HB3 H 2.270 0.02 2 976 200 95 PRO HG2 H 2.040 0.02 2 977 200 95 PRO HD2 H 3.870 0.02 2 978 200 95 PRO HD3 H 3.780 0.02 2 979 200 95 PRO C C 176.980 0.2 1 980 200 95 PRO CA C 63.240 0.2 1 981 200 95 PRO CB C 31.950 0.2 1 982 200 95 PRO CG C 27.570 0.2 1 983 200 95 PRO CD C 51.130 0.2 1 984 201 96 SER H H 8.260 0.02 1 985 201 96 SER HA H 4.380 0.02 1 986 201 96 SER HB2 H 3.800 0.02 2 987 201 96 SER HB3 H 3.850 0.02 2 988 201 96 SER C C 174.530 0.2 1 989 201 96 SER CA C 58.430 0.2 1 990 201 96 SER CB C 63.660 0.2 1 991 201 96 SER N N 114.690 0.2 1 992 202 97 TYR H H 8.040 0.02 1 993 202 97 TYR HA H 4.540 0.02 1 994 202 97 TYR HB2 H 3.000 0.02 2 995 202 97 TYR HB3 H 3.090 0.02 2 996 202 97 TYR HD1 H 7.120 0.02 1 997 202 97 TYR HD2 H 7.120 0.02 1 998 202 97 TYR HE1 H 6.830 0.02 1 999 202 97 TYR HE2 H 6.830 0.02 1 1000 202 97 TYR C C 176.530 0.2 1 1001 202 97 TYR CA C 58.460 0.2 1 1002 202 97 TYR CB C 38.660 0.2 1 1003 202 97 TYR CD1 C 133.320 0.2 1 1004 202 97 TYR CD2 C 133.320 0.2 1 1005 202 97 TYR CE1 C 118.230 0.2 1 1006 202 97 TYR CE2 C 118.230 0.2 1 1007 202 97 TYR N N 122.270 0.2 1 1008 203 98 GLY H H 8.310 0.02 1 1009 203 98 GLY HA2 H 3.850 0.02 2 1010 203 98 GLY HA3 H 3.910 0.02 2 1011 203 98 GLY C C 174.300 0.2 1 1012 203 98 GLY CA C 45.530 0.2 1 1013 203 98 GLY N N 110.340 0.2 1 1014 204 99 ARG H H 8.080 0.02 1 1015 204 99 ARG HA H 4.400 0.02 1 1016 204 99 ARG HB2 H 1.800 0.02 2 1017 204 99 ARG HB3 H 1.920 0.02 2 1018 204 99 ARG HG2 H 1.670 0.02 2 1019 204 99 ARG HD2 H 3.210 0.02 2 1020 204 99 ARG C C 176.690 0.2 1 1021 204 99 ARG CA C 56.370 0.2 1 1022 204 99 ARG CB C 30.670 0.2 1 1023 204 99 ARG CG C 26.990 0.2 1 1024 204 99 ARG CD C 43.530 0.2 1 1025 204 99 ARG N N 120.450 0.2 1 1026 205 100 SER H H 8.340 0.02 5 1027 205 100 SER HA H 4.450 0.02 5 1028 205 100 SER HB2 H 3.890 0.02 5 1029 205 100 SER C C 174.770 0.2 5 1030 205 100 SER CA C 58.660 0.2 5 1031 205 100 SER CB C 63.840 0.2 5 1032 205 100 SER N N 116.790 0.2 5 1033 206 101 ARG H H 8.420 0.02 5 1034 206 101 ARG C C 176.520 0.2 5 1035 206 101 ARG CA C 56.380 0.2 5 1036 206 101 ARG N N 123.220 0.2 5 1037 207 102 SER H H 8.340 0.02 5 1038 207 102 SER HA H 4.450 0.02 5 1039 207 102 SER HB2 H 3.890 0.02 5 1040 207 102 SER C C 174.770 0.2 5 1041 207 102 SER CA C 58.660 0.2 5 1042 207 102 SER CB C 63.840 0.2 5 1043 207 102 SER N N 116.790 0.2 5 1044 208 103 ARG H H 8.420 0.02 5 1045 208 103 ARG C C 176.520 0.2 5 1046 208 103 ARG CA C 56.380 0.2 5 1047 208 103 ARG N N 123.220 0.2 5 1048 209 104 SER H H 8.340 0.02 5 1049 209 104 SER HA H 4.450 0.02 5 1050 209 104 SER HB2 H 3.890 0.02 5 1051 209 104 SER C C 174.770 0.2 5 1052 209 104 SER CA C 58.660 0.2 5 1053 209 104 SER CB C 63.840 0.2 5 1054 209 104 SER N N 116.790 0.2 5 1055 210 105 ARG H H 8.420 0.02 5 1056 210 105 ARG C C 176.520 0.2 5 1057 210 105 ARG CA C 56.380 0.2 5 1058 210 105 ARG N N 123.220 0.2 5 1059 211 106 SER H H 8.340 0.02 5 1060 211 106 SER HA H 4.450 0.02 5 1061 211 106 SER HB2 H 3.890 0.02 5 1062 211 106 SER C C 174.770 0.2 5 1063 211 106 SER CA C 58.660 0.2 5 1064 211 106 SER CB C 63.840 0.2 5 1065 211 106 SER N N 116.790 0.2 5 1066 212 107 ARG H H 8.420 0.02 5 1067 212 107 ARG C C 176.520 0.2 5 1068 212 107 ARG CA C 56.380 0.2 5 1069 212 107 ARG N N 123.220 0.2 5 1070 213 108 SER H H 8.340 0.02 5 1071 213 108 SER HA H 4.450 0.02 5 1072 213 108 SER HB2 H 3.890 0.02 5 1073 213 108 SER C C 174.770 0.2 5 1074 213 108 SER CA C 58.660 0.2 5 1075 213 108 SER CB C 63.840 0.2 5 1076 213 108 SER N N 116.790 0.2 5 1077 214 109 ARG H H 8.420 0.02 5 1078 214 109 ARG C C 176.520 0.2 5 1079 214 109 ARG CA C 56.380 0.2 5 1080 214 109 ARG N N 123.220 0.2 5 1081 215 110 SER H H 8.340 0.02 5 1082 215 110 SER HA H 4.430 0.02 1 1083 215 110 SER HB2 H 3.900 0.02 2 1084 215 110 SER C C 174.770 0.2 5 1085 215 110 SER CA C 58.650 0.2 1 1086 215 110 SER CB C 63.760 0.2 1 1087 215 110 SER N N 116.790 0.2 5 1088 216 111 LEU H H 8.260 0.02 1 1089 216 111 LEU HA H 4.340 0.02 1 1090 216 111 LEU HB2 H 1.590 0.02 2 1091 216 111 LEU HB3 H 1.640 0.02 2 1092 216 111 LEU HG H 1.630 0.02 1 1093 216 111 LEU HD1 H 0.940 0.02 2 1094 216 111 LEU HD2 H 0.870 0.02 2 1095 216 111 LEU C C 177.340 0.2 1 1096 216 111 LEU CA C 55.370 0.2 1 1097 216 111 LEU CB C 42.200 0.2 1 1098 216 111 LEU CG C 27.040 0.2 1 1099 216 111 LEU CD1 C 23.490 0.2 2 1100 216 111 LEU CD2 C 25.050 0.2 2 1101 216 111 LEU N N 123.870 0.2 1 1102 217 112 GLU H H 8.230 0.02 1 1103 217 112 GLU HA H 4.220 0.02 1 1104 217 112 GLU HB2 H 1.900 0.02 2 1105 217 112 GLU HB3 H 1.800 0.02 2 1106 217 112 GLU HG2 H 2.250 0.02 2 1107 217 112 GLU HG3 H 2.330 0.02 2 1108 217 112 GLU C C 176.230 0.2 1 1109 217 112 GLU CA C 56.680 0.2 1 1110 217 112 GLU CB C 30.270 0.2 1 1111 217 112 GLU CG C 36.240 0.2 1 1112 217 112 GLU N N 120.790 0.2 1 1113 218 113 HIS H H 8.290 0.02 1 1114 218 113 HIS C C 174.850 0.2 1 1115 218 113 HIS CA C 55.900 0.2 1 1116 218 113 HIS N N 119.640 0.2 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 1026 '1037,1048,1059,1070,1081' '1027,1038,1049,1060,1071' '1028,1039,1050,1061,1072' '1029,1040,1051,1062,1073,1084' '1030,1041,1052,1063,1074' '1031,1042,1053,1064,1075' '1032,1043,1054,1065,1076,1087' '1033,1044,1055,1066,1077' '1034,1045,1056,1067,1078' '1035,1046,1057,1068,1079' '1036,1047,1058,1069,1080' stop_ save_