Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.4 C 0.37 R 0.18 M 0.03 C Shift Assignments>> C :: 175.691 CA :: 55.968 CB :: 33.956 CG :: 24.805 CD :: 29.436 CE :: 42.110 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.880 HB2 :: 1.848 HB3 :: 1.787 HG2 :: 1.390 HG3 :: 1.335 HD2 :: 1.682 HD3 :: 1.682 HE2 :: 2.958 HE3 :: 2.958 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) FLAG polypeptide(L) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.512 CA :: 61.639 CB :: 70.519 CG2 :: 21.139 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.812 HA :: 4.561 HB :: 4.103 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.490 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.11 K 0.06 I 0.04 Q 0.03 C Shift Assignments>> C :: 175.512 CA :: 56.192 CB :: 30.375 CG :: 36.435 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.467 HA :: 4.470 HB2 :: 1.910 HB3 :: 1.910 HG2 :: 2.230 HG3 :: 2.100 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.338 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I5 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 1.000(A) CA :: 60.908 CB :: 38.035 CG1 :: 27.272 CG2 :: 17.977 CD1 :: 13.612 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.145 HA :: 4.026 HB :: 1.720 HG12 :: 1.310 HG13 :: 0.965 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 HD11 :: 0.580 HD12 :: 0.580 HD13 :: 0.580 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.603 Ave N Shift Values>> N :: 121.6(4.72) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) (C > CD1 : 1.0000) FLAG polypeptide(L) 1.H6 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Anomalous PRTL>> H 0.18 R 0.17 C 0.15 E 0.14 Q 0.13 M 0.11 K 0.08 C Shift Assignments>> C :: 1.000(A) CA :: 55.730 CB :: 30.550 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 1.000(A) HA :: 4.860 HB2 :: 3.235 HB3 :: 3.105 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 1.000(A) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) SRO Rule Breaks>> (H > HA : 1.0000) (H > HB2 : 0.9986) (H > HB3 : 0.9971) (C > CA : 1.0000) (C > CB : 1.0000) FLAG polypeptide(L) 1.G7 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 HN Overlap>> 2.G50 2.G50 C Shift Assignments>> C :: 1.000(A) CA :: 45.100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.082 HA2 :: 4.050 HA3 :: 4.205 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.385 Ave N Shift Values>> N :: 109.91(4.29) SRO Rule Breaks>> (C > CA : 1.0000) FLAG polypeptide(L) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.22 D 0.12 K 0.1 C 0.1 F 0.05 Y 0.03 G 0.03 N 0.01 HN Overlap>> 1.F47 1.F47 C Shift Assignments>> C :: 176.452 CA :: 54.925 CB :: 42.985 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.145 HA :: 4.870 HB2 :: 2.771 HB3 :: 2.686 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.884 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.09 C Shift Assignments>> C :: 173.005 CA :: 56.649 CB :: 66.344 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.855 HA :: 5.354 HB2 :: 4.076 HB3 :: 4.045 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.491 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 171.498 CA :: 61.639 CB :: 68.877 CG2 :: 18.973 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.633 HA :: 4.710 HB :: 4.195 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.950 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 R 0.24 K 0.23 G 0.02 M 0.01 C Shift Assignments>> C :: 175.064 CA :: 54.870 CB :: 36.631 CG :: 24.637 CD :: 29.521 CE :: 42.319 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.163 HA :: 5.860(S) HB2 :: 1.785 HB3 :: 1.720 HG2 :: 1.445 HG3 :: 1.435 HD2 :: 1.615 HD3 :: 1.593 HE2 :: 2.930 HE3 :: 2.930 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.631 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.2 K 0.12 M 0.05 A 0.05 P 0.03 R 0.02 C Shift Assignments>> C :: 175.407 CA :: 51.491 CB :: 23.883 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.206 HA :: 4.772 HB1 :: 1.432 HB2 :: 1.432 HB3 :: 1.432 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.040 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 172.677 CA :: 63.579 CB :: 69.847 CG2 :: 22.297 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.468 HA :: 4.715 HB :: 3.922 HG21 :: 1.075 HG22 :: 1.075 HG23 :: 1.075 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.246 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.22 L 0.18 A 0.05 C Shift Assignments>> C :: 173.154 CA :: 53.431 CB :: 45.970 CG :: 26.600 CD1 :: 27.000 CD2 :: 23.147 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.273 HA :: 4.608 HB2 :: 1.750 HB3 :: 1.137 HG :: 1.430 HD11 :: 0.648 HD12 :: 0.648 HD13 :: 0.648 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.287 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.23 E 0.21 C Shift Assignments>> C :: 175.526 CA :: 53.972 CB :: 32.330 CG :: 36.838 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.958 HA :: 5.100 HB2 :: 2.095 HB3 :: 1.655 HG2 :: 2.180 HG3 :: 2.180 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.512 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E16 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.3 Q 0.11 K 0.11 M 0.1 I 0.04 HN Overlap>> 2.S15 2.S15 C Shift Assignments>> C :: 1.000(A) CA :: 57.350 CB :: 30.220 CG :: 35.538 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.040 HA :: 3.827 HB2 :: 1.940 HB3 :: 1.890 HG2 :: 2.130 HG3 :: 2.130 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.259 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) FLAG polypeptide(L) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.557 CA :: 45.597 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.604 HA2 :: 4.435 HA3 :: 3.615 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.704 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.34 Q 0.13 E 0.09 K 0.01 C Shift Assignments>> C :: 173.109 CA :: 54.700 CB :: 32.464 CG :: 34.149 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.407 HA :: 5.107 HB2 :: 2.595 HB3 :: 2.070 HG2 :: 2.217 HG3 :: 2.145 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.125 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.35 Q 0.09 K 0.01 E 0.01 C Shift Assignments>> C :: 173.348 CA :: 53.282 CB :: 32.400 CG :: 32.800 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.871 HA :: 5.586 HB2 :: 2.020 HB3 :: 1.505 HG2 :: 1.975 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.088 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.19 C 0.16 R 0.01 C Shift Assignments>> C :: 176.183 CA :: 52.984 CB :: 45.522 CG :: 26.916 CD1 :: 26.626 CD2 :: 25.506 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.169 HA :: 5.390 HB2 :: 1.860 HB3 :: 1.590 HG :: 1.970 HD11 :: 1.010 HD12 :: 1.010 HD13 :: 1.010 HD21 :: 0.995 HD22 :: 0.995 HD23 :: 0.995 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.283 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.A99 1.A99 C Shift Assignments>> C :: 173.542 CA :: 62.271 CB :: 70.872 CG2 :: 22.250 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.169 HA :: 5.235 HB :: 3.768 HG21 :: 1.041 HG22 :: 1.041 HG23 :: 1.041 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.464 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.18 L 0.13 A 0.03 R 0.02 C Shift Assignments>> C :: 175.198 CA :: 53.208 CB :: 45.373 CG :: 27.441 CD1 :: 27.575 CD2 :: 23.353 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.972 HA :: 5.448 HB2 :: 1.958 HB3 :: 0.875 HG :: 1.365 HD11 :: 0.183 HD12 :: 0.183 HD13 :: 0.183 HD21 :: 0.395 HD22 :: 0.395 HD23 :: 0.395 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 134.374 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.198 CA :: 62.460 CB :: 68.803 CG2 :: 21.150 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.932 HA :: 5.215 HB :: 4.215 HG21 :: 1.190 HG22 :: 1.190 HG23 :: 1.190 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.719 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.37 C 0.23 C Shift Assignments>> C :: 172.229 CA :: 56.192 CB :: 41.791 CD1 :: 132.240 CD2 :: 132.240 CE1 :: 130.050 CE2 :: 130.050 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.830 HA :: 5.281 HB2 :: 3.335 HB3 :: 2.790 HD1 :: 7.025 HD2 :: 7.025 HE1 :: 7.063 HE2 :: 7.063 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.766 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 HN Overlap>> 2.I35 2.I35 C Shift Assignments>> C :: 175.303 CA :: 61.266 CB :: 40.224 CG1 :: 27.839 CG2 :: 17.333 CD1 :: 14.134 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.040 HA :: 4.067 HB :: 1.670 HG12 :: 1.450 HG13 :: 0.615 HG21 :: 0.705 HG22 :: 0.705 HG23 :: 0.705 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.505 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.631 CA :: 56.742 CB :: 65.047 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.008 HA :: 4.715 HB2 :: 4.145 HB3 :: 3.562 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.978 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.109 CA :: 63.377 CB :: 69.420 CG2 :: 22.168 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.097 HA :: 4.385 HB :: 4.322 HG21 :: 1.270 HG22 :: 1.270 HG23 :: 1.270 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.632 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.19 M 0.02 C Shift Assignments>> C :: 172.975 CA :: 57.553 CB :: 34.181 CG :: 25.119 CD :: 29.400 CE :: 41.925 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.006 HA :: 5.000 HB2 :: 1.843 HB3 :: 1.673 HG2 :: 1.203 HG3 :: 1.135 HD2 :: 1.645 HD3 :: 1.570 HE2 :: 2.955 HE3 :: 2.880 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.098 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.27 L 0.19 A 0.01 C Shift Assignments>> C :: 173.796 CA :: 53.431 CB :: 46.194 CG :: 27.155 CD1 :: 27.019 CD2 :: 24.374 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.584 HA :: 5.035 HB2 :: 1.516 HB3 :: 1.080 HG :: 1.165 HD11 :: 0.065 HD12 :: 0.065 HD13 :: 0.065 HD21 :: 0.380 HD22 :: 0.380 HD23 :: 0.380 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.310 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 G 0.24 R 0.18 C 0.12 D 0.08 F 0.02 K 0.01 Y 0.01 HN Overlap>> 2.C27 2.C27 C Shift Assignments>> C :: 175.228 CA :: 53.655 CB :: 44.030 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.877 HA :: 5.302 HB2 :: 2.593 HB3 :: 2.503 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.822 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 174.064 CA :: 60.669 CB :: 35.299 CG1 :: 21.951 CG2 :: 21.252 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.961 HA :: 4.890 HB :: 1.910 HG11 :: 0.785 HG12 :: 0.785 HG13 :: 0.785 HG21 :: 0.355 HG22 :: 0.355 HG23 :: 0.355 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.954 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.12 L 0.08 C 0.07 C Shift Assignments>> C :: 175.616 CA :: 50.969 CB :: 21.271 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.503 HA :: 4.952 HB1 :: 1.450 HB2 :: 1.450 HB3 :: 1.450 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.764 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.45 C Shift Assignments>> C :: 173.438 CA :: 61.192 CB :: 30.449 CG1 :: 20.905 CG2 :: 19.200 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.930 HA :: 4.097 HB :: 2.460 HG11 :: 0.797 HG12 :: 0.797 HG13 :: 0.797 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.244 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 P 0.25 C 0.25 A 0.09 N 0.04 D 0.01 L 0.01 C Shift Assignments>> C :: 174.527 CA :: 48.134 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.675 HA2 :: 4.325 HA3 :: 3.935 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.197 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.691 CA :: 57.400 CB :: 63.729 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.600 HA :: 4.760 HB2 :: 3.955 HB3 :: 3.900 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.229 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.C36 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 G 0.01 P 0.01 C Shift Assignments>> C :: 1.000(A) CA :: 57.100 CB :: 50.100 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.630 HA :: 4.975 HB2 :: 3.780 HB3 :: 3.155 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.415 Ave N Shift Values>> N :: 119.95(4.79) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) FLAG polypeptide(L) 1.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.18 M 0.16 R 0.11 Q 0.09 H 0.09 E 0.08 V 0.05 C Shift Assignments>> C :: 173.139 CA :: 57.461 CB :: 32.464 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.040 HA :: 5.195 HB2 :: 3.065 HB3 :: 2.702 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.915 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 170.617 CA :: 57.610 CB :: 65.818 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.171 HA :: 5.155 HB2 :: 3.844 HB3 :: 3.824 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.527 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.24 L 0.22 R 0.04 C Shift Assignments>> C :: 174.915 CA :: 54.924 CB :: 45.149 CG :: 27.150 CD1 :: 26.950 CD2 :: 25.837 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.039 HA :: 5.474 HB2 :: 2.030 HB3 :: 1.870 HG :: 1.705 HD11 :: 1.005 HD12 :: 1.005 HD13 :: 1.005 HD21 :: 0.995 HD22 :: 0.995 HD23 :: 0.995 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.886 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.46 C Shift Assignments>> C :: 174.318 CA :: 60.446 CB :: 35.523 CG1 :: 21.132 CG2 :: 20.779 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.211 HA :: 5.035 HB :: 2.054 HG11 :: 0.930 HG12 :: 0.930 HG13 :: 0.930 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.353 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 C Shift Assignments>> C :: 173.825 CA :: 50.223 CB :: 19.033 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.329 HA :: 4.795 HB1 :: 1.089 HB2 :: 1.089 HB3 :: 1.089 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.158 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.16 D 0.15 Y 0.04 F 0.03 L 0.02 HN Overlap>> 1.L91 1.L91 C Shift Assignments>> C :: 175.124 CA :: 51.342 CB :: 38.657 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.635 HA :: 4.825 HB2 :: 2.135 HB3 :: 1.900 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.573 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Y 0.32 F 0.3 HN Overlap>> 2.V56 2.V56 C Shift Assignments>> C :: 176.049 CA :: 57.759 CB :: 37.915 CD1 :: 130.240 CD2 :: 130.240 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.362 HA :: 4.270 HB2 :: 3.260 HB3 :: 3.075 HD1 :: 7.125 HD2 :: 7.125 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.292 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.36 R 0.04 C Shift Assignments>> C :: 178.003 CA :: 57.869 CB :: 41.508 CG :: 27.035 CD1 :: 24.860 CD2 :: 23.617 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.986 HA :: 4.350 HB2 :: 1.825 HB3 :: 1.660 HG :: 1.661 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.105 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.18 K 0.16 R 0.13 C 0.1 F 0.06 Y 0.05 N 0.03 C Shift Assignments>> C :: 176.839 CA :: 54.771 CB :: 42.201 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.523 HA :: 4.684 HB2 :: 2.842 HB3 :: 2.022 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.193 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.24 P 0.03 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 174.139 CA :: 47.508 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.263 HA2 :: 4.185 HA3 :: 3.528 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.079 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 HN Overlap>> 1.D8 1.D8 C Shift Assignments>> C :: 172.408 CA :: 56.949 CB :: 41.504 CD1 :: 132.090 CD2 :: 132.090 CE1 :: 130.240 CE2 :: 130.240 CZ :: 129.510 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.189 HA :: 5.360 HB2 :: 3.120 HB3 :: 2.843 HD1 :: 6.928 HD2 :: 6.928 HE1 :: 7.245 HE2 :: 7.245 HZ :: 7.361 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.908 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.28 C 0.2 R 0.05 HN Overlap>> 1.Q116 1.Q116 C Shift Assignments>> C :: 175.049 CA :: 53.805 CB :: 44.328 CG :: 27.637 CD1 :: 25.027 CD2 :: 25.027 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.175 HA :: 5.475 HB2 :: 1.825 HB3 :: 1.491 HG :: 1.730 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 HD21 :: 0.965 HD22 :: 0.965 HD23 :: 0.965 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.069 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 K 0.3 R 0.11 M 0.02 C Shift Assignments>> C :: 174.780 CA :: 54.625 CB :: 36.344 CG :: 24.974 CD :: 29.521 CE :: 41.056 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.316 HA :: 5.665 HB2 :: 1.704 HB3 :: 1.603 HG2 :: 1.165 HG3 :: 1.130 HD2 :: 1.037 HD3 :: 0.898 HE2 :: 2.065(S) HE3 :: 1.795(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.002 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 C 0.35 G 0.2 C Shift Assignments>> C :: 173.825 CA :: 55.670 CB :: 43.507 CD1 :: 132.240 CD2 :: 132.240 CE1 :: 129.510 CE2 :: 129.510 CZ :: 127.540 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.755 HA :: 5.700 HB2 :: 3.155 HB3 :: 2.980 HD1 :: 6.476 HD2 :: 6.476 HE1 :: 6.630 HE2 :: 6.630 HZ :: 6.675 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.790 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.36 Q 0.12 E 0.05 K 0.01 C Shift Assignments>> C :: 173.706 CA :: 54.700 CB :: 32.762 CG :: 33.731 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.632 HA :: 4.562 HB2 :: 1.683 HB3 :: 1.501 HG2 :: 2.049 HG3 :: 1.935 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.790 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.795 CA :: 61.789 CB :: 70.146 CG2 :: 22.804 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.634 HA :: 4.885 HB :: 4.260 HG21 :: 1.485 HG22 :: 1.485 HG23 :: 1.485 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.944 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.447 CA :: 45.891 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.120 HA2 :: 4.170 HA3 :: 3.900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.146 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.N55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.900 CA :: 58.247 CB :: 63.862 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.315 HB2 :: 3.860 HB3 :: 3.860 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) FLAG polypeptide(L) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.16 C 0.02 C Shift Assignments>> C :: 176.407 CA :: 52.108 CB :: 19.455 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.925 HA :: 4.300 HB1 :: 1.290 HB2 :: 1.290 HB3 :: 1.290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.873 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.35 C 0.24 HN Overlap>> 2.G61 2.G61 C Shift Assignments>> C :: 175.138 CA :: 56.588 CB :: 41.227 CD1 :: 132.240 CD2 :: 132.240 CE1 :: 130.600 CE2 :: 130.600 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.865 HA :: 4.900 HB2 :: 2.745 HB3 :: 2.670 HD1 :: 6.955 HD2 :: 6.955 HE1 :: 7.160 HE2 :: 7.160 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.487 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.D59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.7 L 0.13 C 0.09 R 0.03 D 0.01 C Shift Assignments>> C :: 173.812 CA :: 53.407 CB :: 45.252 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.069 HA :: 4.689 HB2 :: 1.795 HB3 :: 0.990(S) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.518 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 174.945 CA :: 60.710 CB :: 35.771 CG1 :: 21.235 CG2 :: 21.235 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.205 HA :: 5.085 HB :: 1.820 HG11 :: 0.720 HG12 :: 0.720 HG13 :: 0.720 HG21 :: 0.720 HG22 :: 0.720 HG23 :: 0.720 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.166 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.41 C Shift Assignments>> C :: 174.885 CA :: 61.117 CB :: 34.900 CG1 :: 21.873 CG2 :: 20.614 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.272 HA :: 4.310 HB :: 2.185 HG11 :: 1.115 HG12 :: 1.115 HG13 :: 1.115 HG21 :: 1.003 HG22 :: 1.003 HG23 :: 1.003 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.606 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.17 K 0.05 M 0.03 Q 0.01 C Shift Assignments>> C :: 175.437 CA :: 58.431 CB :: 29.689 CG :: 36.846 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.113 HA :: 4.348 HB2 :: 2.045 HB3 :: 2.045 HG2 :: 2.360 HG3 :: 2.360 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.978 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.42 C Shift Assignments>> C :: 174.064 CA :: 60.998 CB :: 33.502 CG1 :: 20.595 CG2 :: 19.430 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.600 HA :: 3.990 HB :: 1.265 HG11 :: 0.003 HG12 :: 0.003 HG13 :: 0.003 HG21 :: 0.378 HG22 :: 0.378 HG23 :: 0.378 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.525 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 M 0.15 I 0.03 K 0.03 Q 0.02 C Shift Assignments>> C :: 174.333 CA :: 56.505 CB :: 31.127 CG :: 36.576 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.824 HA :: 4.320 HB2 :: 2.069 HB3 :: 2.069 HG2 :: 2.000 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.203 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.16 R 0.14 E 0.14 C 0.13 K 0.13 M 0.06 I 0.01 L 0.01 C Shift Assignments>> C :: 172.289 CA :: 55.894 CB :: 29.778 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.640 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.697 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.466 CA :: 63.132 CB :: 31.494 CG :: 27.735 CD :: 50.115 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.627 HB2 :: 1.575 HB3 :: 1.405 HG2 :: 2.084 HG3 :: 1.314 HD2 :: 3.620 HD3 :: 3.235 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.19 L 0.07 C 0.05 C Shift Assignments>> C :: 176.616 CA :: 52.387 CB :: 20.824 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.589 HA :: 4.364 HB1 :: 1.177 HB2 :: 1.177 HB3 :: 1.177 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.927 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 170.722 CA :: 45.671 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.868 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.599 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> C :: 176.481 CA :: 63.579 CB :: 31.718 CG :: 27.874 CD :: 50.670 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.450 HB2 :: 2.117 HB3 :: 1.760 HG2 :: 1.973 HG3 :: 1.744 HD2 :: 3.450 HD3 :: 3.353 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.18 A 0.15 M 0.09 K 0.07 C Shift Assignments>> C :: 174.005 CA :: 51.566 CB :: 23.137 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.600 HA :: 4.915 HB1 :: 1.080 HB2 :: 1.080 HB3 :: 1.080 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.512 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.676 CA :: 61.341 CB :: 35.150 CG1 :: 22.495 CG2 :: 21.404 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.034 HA :: 5.147 HB :: 2.054 HG11 :: 0.855 HG12 :: 0.855 HG13 :: 0.855 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.291 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.38 L 0.05 A 0.01 C Shift Assignments>> C :: 175.228 CA :: 52.909 CB :: 47.164 CG :: 27.995 CD1 :: 27.775 CD2 :: 24.713 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.757 HA :: 5.833 HB2 :: 2.060 HB3 :: 1.491 HG :: 1.564 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.943 HD22 :: 0.943 HD23 :: 0.943 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.853 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 173.288 CA :: 61.341 CB :: 70.444 CG2 :: 21.300 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.774 HA :: 5.783 HB :: 3.797 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.683 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 174.482 CA :: 59.849 CB :: 41.343 CG1 :: 27.227 CG2 :: 17.188 CD1 :: 15.148 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.085 HA :: 4.927 HB :: 1.634 HG12 :: 1.634 HG13 :: 1.010 HG21 :: 0.695 HG22 :: 0.695 HG23 :: 0.695 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.883 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 170.065 CA :: 44.776 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.824 HA2 :: 5.010 HA3 :: 3.193 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.001 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 G 0.33 C 0.18 A 0.04 R 0.04 C Shift Assignments>> C :: 174.751 CA :: 53.282 CB :: 44.477 CG :: 27.600 CD1 :: 25.327 CD2 :: 23.032 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.814 HA :: 5.102 HB2 :: 1.925 HB3 :: 0.915 HG :: 1.433 HD11 :: 0.665 HD12 :: 0.665 HD13 :: 0.665 HD21 :: 0.665 HD22 :: 0.665 HD23 :: 0.665 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.165 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.28 K 0.08 C 0.07 D 0.06 F 0.05 G 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.542 CA :: 42.985 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.344 HA2 :: 4.356 HA3 :: 3.285 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.551 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.H78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.16 E 0.16 C 0.14 Q 0.12 M 0.1 K 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 176.168 CA :: 56.876 CB :: 30.634 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.117 HA :: 4.435 HB2 :: 3.140 HB3 :: 3.090 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.220 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.33 R 0.28 M 0.01 HN Overlap>> 1.S114 1.S114 C Shift Assignments>> C :: 176.810 CA :: 56.863 CB :: 30.449 CG :: 25.257 CD :: 29.206 CE :: 42.124 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.909 HA :: 3.800 HB2 :: 2.044 HB3 :: 1.680 HG2 :: 1.210 HG3 :: 1.155 HD2 :: 1.645 HD3 :: 1.625 HE2 :: 3.000 HE3 :: 2.979 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.566 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 174.900 CA :: 46.126 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.255 HA2 :: 4.159 HA3 :: 3.395 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.141 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.36 K 0.17 G 0.06 C Shift Assignments>> C :: 173.557 CA :: 57.291 CB :: 30.594 CG :: 28.461 CD :: 43.309 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.033 HA :: 4.569 HB2 :: 2.005 HB3 :: 1.515 HG2 :: 1.460 HG3 :: 1.430 HD2 :: 3.230 HD3 :: 3.134 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.810 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 C 0.29 L 0.28 C Shift Assignments>> C :: 173.512 CA :: 53.431 CB :: 46.567 CG :: 26.916 CD1 :: 25.282 CD2 :: 24.685 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.656 HA :: 5.117 HB2 :: 1.448 HB3 :: 1.116 HG :: 1.168 HD11 :: 0.230 HD12 :: 0.230 HD13 :: 0.230 HD21 :: 0.575 HD22 :: 0.575 HD23 :: 0.575 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.947 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 A 0.24 C 0.23 M 0.08 K 0.04 P 0.02 C Shift Assignments>> C :: 175.004 CA :: 50.298 CB :: 23.062 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.615 HA :: 5.032 HB1 :: 0.999 HB2 :: 0.999 HB3 :: 0.999 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.873 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 173.855 CA :: 60.942 CB :: 33.488 CG1 :: 20.950 CG2 :: 20.602 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.172 HA :: 4.685 HB :: 0.138(S) HG11 :: 0.595 HG12 :: 0.595 HG13 :: 0.595 HG21 :: 0.465 HG22 :: 0.465 HG23 :: 0.465 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.353 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.47 C Shift Assignments>> C :: 174.124 CA :: 60.250 CB :: 35.076 CG1 :: 22.126 CG2 :: 20.679 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.205 HA :: 4.444 HB :: 2.065 HG11 :: 0.910 HG12 :: 0.910 HG13 :: 0.910 HG21 :: 0.685 HG22 :: 0.685 HG23 :: 0.685 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.455 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.27 L 0.14 R 0.02 A 0.01 C Shift Assignments>> C :: 173.706 CA :: 53.655 CB :: 45.895 CG :: 27.764 CD1 :: 27.442 CD2 :: 23.912 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.514 HA :: 5.500 HB2 :: 2.056 HB3 :: 1.175 HG :: 1.676 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 1.242 HD22 :: 1.242 HD23 :: 1.242 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.728 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.58 L 0.18 C 0.11 R 0.07 D 0.02 C Shift Assignments>> C :: 175.541 CA :: 53.581 CB :: 44.925 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.076 HA :: 5.880(S) HB2 :: 2.677 HB3 :: 2.600 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.589 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 172.856 CA :: 55.669 CB :: 39.926 CD1 :: 133.540 CD2 :: 133.540 CE1 :: 117.040 CE2 :: 117.040 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.892 HA :: 5.270 HB2 :: 3.190 HB3 :: 2.785 HD1 :: 6.755 HD2 :: 6.755 HE1 :: 6.840 HE2 :: 6.840 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.385 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.616 CA :: 63.237 CB :: 69.400 CG2 :: 21.908 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.205 HA :: 4.380 HB :: 3.965 HG21 :: 1.268 HG22 :: 1.268 HG23 :: 1.268 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.134 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.22 R 0.18 K 0.09 C Shift Assignments>> C :: 178.421 CA :: 55.521 CB :: 33.882 CG :: 28.111 CD :: 44.109 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.808 HA :: 5.142 HB2 :: 2.164 HB3 :: 1.752 HG2 :: 1.970 HG3 :: 1.380 HD2 :: 3.140 HD3 :: 2.835 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.412 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.33 R 0.07 G 0.01 HN Overlap>> 1.N42 1.N42 C Shift Assignments>> C :: 177.198 CA :: 57.312 CB :: 42.090 CG :: 26.890 CD1 :: 25.029 CD2 :: 23.235 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.738 HA :: 4.032 HB2 :: 1.726 HB3 :: 1.553 HG :: 1.525 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.568 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.24 Y 0.08 E 0.07 D 0.06 F 0.05 M 0.03 C Shift Assignments>> C :: 175.198 CA :: 53.402 CB :: 37.332 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.119 HA :: 4.532 HB2 :: 3.083 HB3 :: 2.859 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.603 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 175.959 CA :: 53.925 CB :: 17.681 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.006 HA :: 3.952 HB1 :: 1.492 HB2 :: 1.492 HB3 :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.706 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.13 C 0.03 L 0.02 C Shift Assignments>> C :: 175.392 CA :: 51.553 CB :: 20.284 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.395 HA :: 4.470 HB1 :: 1.395 HB2 :: 1.395 HB3 :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.144 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 G 0.23 C 0.21 R 0.05 C Shift Assignments>> C :: 177.332 CA :: 54.411 CB :: 44.194 CG :: 27.030 CD1 :: 25.232 CD2 :: 24.582 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.079 HA :: 4.745 HB2 :: 1.430 HB3 :: 1.375 HG :: 1.531 HD11 :: 0.750 HD12 :: 0.750 HD13 :: 0.750 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.494 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.37 L 0.27 C 0.08 G 0.07 D 0.05 K 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 172.662 CA :: 43.358 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.741 HA2 :: 4.410 HA3 :: 2.500(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.844 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 HN Overlap>> 2.S60 2.S60 C Shift Assignments>> C :: 173.318 CA :: 58.619 CB :: 65.957 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.234 HA :: 5.605 HB2 :: 3.730 HB3 :: 3.585 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.900 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.21 A 0.14 M 0.07 K 0.07 P 0.02 R 0.01 HN Overlap>> 2.K28 2.K28 C Shift Assignments>> C :: 174.169 CA :: 50.894 CB :: 23.361 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.268 HA :: 5.180 HB1 :: 1.615 HB2 :: 1.615 HB3 :: 1.615 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.400 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A99 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.73 L 0.08 C 0.08 R 0.03 H 0.02 Q 0.01 K 0.01 HN Overlap>> 1.T21 1.T21 C Shift Assignments>> C :: 174.751 CA :: 50.894 CB :: 26.868(A) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.134 HA :: 5.405 HB1 :: 1.432 HB2 :: 1.432 HB3 :: 1.432 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.464 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.38 G 0.08 C Shift Assignments>> C :: 171.572 CA :: 55.372 CB :: 42.836 CD1 :: 131.940 CD2 :: 131.940 CE1 :: 116.440 CE2 :: 116.440 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.828 HA :: 5.290 HB2 :: 2.645 HB3 :: 2.423 HD1 :: 5.980 HD2 :: 5.980 HE1 :: 6.010 HE2 :: 6.010 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.177 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.32 I 0.02 C Shift Assignments>> C :: 176.228 CA :: 60.072 CB :: 35.971 CG1 :: 22.466 CG2 :: 20.531 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.234 HA :: 4.685 HB :: 0.920 HG11 :: 0.665 HG12 :: 0.665 HG13 :: 0.665 HG21 :: 0.700 HG22 :: 0.700 HG23 :: 0.700 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.853 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.332 CA :: 61.117 CB :: 32.986 CG1 :: 21.679 CG2 :: 20.354 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.391 HA :: 4.200 HB :: 2.070 HG11 :: 1.000 HG12 :: 1.000 HG13 :: 1.000 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.858 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.09 K 0.08 M 0.06 Q 0.06 C Shift Assignments>> C :: 176.272 CA :: 58.505 CB :: 30.076 CG :: 35.924 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.612 HA :: 4.260 HB2 :: 2.011 HB3 :: 1.995 HG2 :: 2.390 HG3 :: 2.280 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.118 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.22 L 0.13 C 0.11 F 0.06 Y 0.06 K 0.04 C Shift Assignments>> C :: 176.183 CA :: 53.208 CB :: 40.523 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.648 HA :: 4.715 HB2 :: 2.834 HB3 :: 2.510 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.895 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 174.989 CA :: 60.893 CB :: 64.983 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.640 HA :: 4.075 HB2 :: 4.070 HB3 :: 3.792 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.947 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 175.258 CA :: 45.522 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.599 HA2 :: 4.231 HA3 :: 3.770 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.870 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.C107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.19 D 0.18 C 0.1 R 0.09 F 0.08 Y 0.07 N 0.03 C Shift Assignments>> C :: 174.124 CA :: 55.297 CB :: 41.791 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.513 HA :: 4.482 HB2 :: 3.100 HB3 :: 2.600 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.013 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.363 CA :: 58.058 CB :: 64.400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.109 HA :: 4.575 HB2 :: 4.160 HB3 :: 4.055 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.042 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.437 CA :: 60.136 CB :: 63.468 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.924 HA :: 4.270 HB2 :: 4.035 HB3 :: 3.970 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.146 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.557 CA :: 58.054 CB :: 64.135 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.612 HA :: 5.021 HB2 :: 3.630 HB3 :: 3.610 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.830 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.68 M 0.25 E 0.02 Q 0.02 C Shift Assignments>> C :: 175.601 CA :: 53.879 CB :: 34.553 CG :: 34.553 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.939 HA :: 4.815 HB2 :: 2.080 HB3 :: 2.020 HG2 :: 1.220(S) HG3 :: 1.210(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.533 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.38 M 0.1 I 0.05 K 0.02 C Shift Assignments>> C :: 175.720 CA :: 56.118 CB :: 30.822 CG :: 37.291 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.932 HA :: 4.600 HB2 :: 2.000 HB3 :: 1.965 HG2 :: 2.145 HG3 :: 2.005 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.797 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 174.736 CA :: 61.117 CB :: 32.539 CG1 :: 23.530 CG2 :: 23.070 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.525 HA :: 4.905 HB :: 1.865 HG11 :: 0.877 HG12 :: 0.877 HG13 :: 0.877 HG21 :: 0.142 HG22 :: 0.142 HG23 :: 0.142 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.816 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K79 1.K79 C Shift Assignments>> C :: 173.124 CA :: 57.088 CB :: 64.997 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.980 HA :: 5.095 HB2 :: 3.830 HB3 :: 3.830 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.580 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.34 C 0.23 G 0.01 C Shift Assignments>> C :: 175.183 CA :: 56.416 CB :: 42.164 CD1 :: 132.240 CD2 :: 132.240 CE1 :: 129.510 CE2 :: 129.510 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.889 HA :: 5.109 HB2 :: 2.785 HB3 :: 2.540 HD1 :: 6.950 HD2 :: 6.950 HE1 :: 6.950 HE2 :: 6.950 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.107 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.Q116 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.34 C 0.31 Q 0.17 E 0.12 K 0.03 HN Overlap>> 1.L48 1.L48 C Shift Assignments>> C :: 174.258 CA :: 55.520 CB :: 32.016 CG :: 34.124 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.145 HA :: 4.869 HB2 :: 2.201 HB3 :: 2.070 HG2 :: 2.375 HG3 :: 2.368 HE21 :: 2.380(A) HE22 :: 2.365(A) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.069 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) SRO Rule Breaks>> (HE21 > HA : 0.9988) (HE22 > HA : 0.9976) (HE22 > HG2 : 1.0000) (HE22 > HG3 : 1.0000) FLAG polypeptide(L) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 175.019 CA :: 46.268 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.521 HA2 :: 4.760 HA3 :: 4.200 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.558 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.124 CA :: 62.301 CB :: 31.337 CG1 :: 23.323 CG2 :: 19.882 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.623 HA :: 3.781 HB :: 2.051 HG11 :: 0.607 HG12 :: 0.607 HG13 :: 0.607 HG21 :: 0.782 HG22 :: 0.782 HG23 :: 0.782 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 111.501 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 173.855 CA :: 45.050 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.254 HA2 :: 4.429 HA3 :: 3.833 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.983 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.302 CA :: 58.356 CB :: 64.176 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.537 HA :: 4.675 HB2 :: 3.838 HB3 :: 3.825 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.548 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 174.392 CA :: 46.343 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.913 HA2 :: 4.025 HA3 :: 3.860 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.266 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.22 L 0.05 C 0.05 C Shift Assignments>> C :: 177.794 CA :: 52.909 CB :: 20.451 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.233 HA :: 4.815 HB1 :: 1.470 HB2 :: 1.470 HB3 :: 1.470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.193 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.T123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 C Shift Assignments>> C :: 172.423 CA :: 59.998 CB :: 72.534 CG2 :: 21.362 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.317 HA :: 5.045 HB :: 4.002 HG21 :: 1.150 HG22 :: 1.150 HG23 :: 1.150 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.999 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.38 L 0.2 HN Overlap>> 1.V125 1.V125 C Shift Assignments>> C :: 175.034 CA :: 53.805 CB :: 46.716 CG :: 27.367 CD1 :: 26.347 CD2 :: 25.191 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.718 HA :: 5.384 HB2 :: 1.673 HB3 :: 1.120 HG :: 1.365 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 HD21 :: 0.652 HD22 :: 0.652 HD23 :: 0.652 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.526 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.44 HN Overlap>> 1.L124 1.L124 C Shift Assignments>> C :: 174.318 CA :: 60.669 CB :: 35.971 CG1 :: 21.432 CG2 :: 21.432 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.697 HA :: 4.885 HB :: 1.965 HG11 :: 0.980 HG12 :: 0.980 HG13 :: 0.980 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.526 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.914 CA :: 61.266 CB :: 33.807 CG1 :: 20.700 CG2 :: 20.700 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.490 HA :: 5.177 HB :: 2.005 HG11 :: 1.017 HG12 :: 1.017 HG13 :: 1.017 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.843 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.21 C Shift Assignments>> C :: 173.348 CA :: 59.401 CB :: 71.713 CG2 :: 21.016 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.787 HA :: 4.811 HB :: 4.384 HG21 :: 1.145 HG22 :: 1.145 HG23 :: 1.145 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.715 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.T128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 2.S8 2.S8 C Shift Assignments>> C :: 173.497 CA :: 63.878 CB :: 69.549 CG2 :: 22.188 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.267 HA :: 4.225 HB :: 3.965 HG21 :: 1.365 HG22 :: 1.365 HG23 :: 1.365 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.708 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.33 R 0.03 C Shift Assignments>> C :: 177.078 CA :: 56.416 CB :: 41.506 CG :: 26.217 CD1 :: 25.947 CD2 :: 24.440 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.178 HA :: 4.010 HB2 :: 1.612 HB3 :: 0.890 HG :: 1.490 HD11 :: 0.577 HD12 :: 0.577 HD13 :: 0.577 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.901 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.154 CA :: 44.627 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.754 HA2 :: 3.910 HA3 :: 3.565 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.651 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.09 K 0.07 I 0.03 Q 0.03 C Shift Assignments>> C :: 175.720 CA :: 55.817 CB :: 30.084 CG :: 36.464 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.778 HA :: 4.350 HB2 :: 2.039 HB3 :: 1.898 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.538 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.715 CB :: 63.430 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.409 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.605 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.P133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.093 CA :: 63.568 CB :: 32.204 CG :: 27.446 CD :: 50.949 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.493 HB2 :: 2.263 HB3 :: 1.960 HG2 :: 2.007 HG3 :: 1.970 HD2 :: 3.850 HD3 :: 3.763 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 1.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.557 CA :: 62.171 CB :: 69.397 CG2 :: 21.461 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.009 HA :: 4.225 HB :: 4.203 HG21 :: 1.185 HG22 :: 1.185 HG23 :: 1.185 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.433 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.23 C 0.02 L 0.01 C Shift Assignments>> C :: 178.078 CA :: 52.896 CB :: 19.452 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.049 HA :: 4.268 HB1 :: 1.376 HB2 :: 1.376 HB3 :: 1.376 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.613 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.18 M 0.01 I 0.01 C Shift Assignments>> C :: 176.466 CA :: 63.132 CB :: 32.539 CG1 :: 21.180 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.000 HA :: 3.985 HB :: 2.050 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.415 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.855 CB :: 63.790 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.093 HA :: 4.354 HB2 :: 3.840 HB3 :: 3.820 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.172 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 2.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 2.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 2.N3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 2.F4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 2.V5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 2.Q6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 2.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.48 C 0.28 R 0.16 G 0.05 C Shift Assignments>> C :: 177.288 CA :: 56.005 CB :: 43.096 CG :: 27.527 CD1 :: 25.423 CD2 :: 24.077 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> HA :: 4.389 HB2 :: 1.663 HB3 :: 1.610 HG :: 1.633 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.870 HD22 :: 0.870 HD23 :: 0.870 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) FLAG polypeptide(L) 2.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T128 1.T128 C Shift Assignments>> C :: 174.260 CA :: 58.803 CB :: 64.716 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.193 HA :: 4.467 HB2 :: 3.860 HB3 :: 3.860 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.732 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 2.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.38 M 0.11 I 0.06 K 0.02 Q 0.01 HN Overlap>> 2.V56 2.V56 C Shift Assignments>> C :: 176.283 CA :: 57.219 CB :: 30.972 CG :: 36.868 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.310 HA :: 4.372 HB2 :: 2.055 HB3 :: 1.952 HG2 :: 2.272 HG3 :: 2.215 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.132 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 2.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 172.702 CA :: 60.370 CB :: 70.294 CG2 :: 21.925 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.140 HA :: 4.603 HB :: 4.151 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.301 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 2.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.403 CA :: 63.782 CB :: 32.708 CG :: 27.868 CD :: 51.641 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.415 HB2 :: 2.296 HB3 :: 1.911 HG2 :: 2.035 HG3 :: 1.987 HD2 :: 3.860 HD3 :: 3.721 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 2.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 C 0.02 C Shift Assignments>> C :: 179.238 CA :: 52.750 CB :: 19.325 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.470 HA :: 4.452 HB1 :: 1.455 HB2 :: 1.455 HB3 :: 1.455 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.447 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 2.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.26 C 0.07 L 0.06 V 0.05 T 0.03 I 0.01 C Shift Assignments>> C :: 179.745 CA :: 55.699 CB :: 20.219 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.063 HA :: 4.116 HB1 :: 1.514 HB2 :: 1.514 HB3 :: 1.514 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.119 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 2.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 C 0.21 F 0.17 N 0.13 D 0.12 L 0.04 E 0.04 I 0.03 C Shift Assignments>> C :: 177.865 CA :: 55.886 CB :: 38.808 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.306 HA :: 4.437 HB2 :: 3.348 HB3 :: 3.034 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 112.793 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 2.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E16 1.E16 C Shift Assignments>> C :: 174.702 CA :: 62.084 CB :: 63.612 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.074 HA :: 4.225 HB2 :: 4.021 HB3 :: 4.021 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.202 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 2.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.448 CA :: 58.380 CB :: 63.556 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.426 HA :: 4.510 HB2 :: 3.999 HB3 :: 3.758 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.494 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 2.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 N 0.22 Y 0.15 E 0.12 F 0.09 D 0.06 M 0.03 I 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 173.792 CA :: 54.998 CB :: 37.538 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.897 HA :: 4.623 HB2 :: 2.908 HB3 :: 2.770 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.934 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 2.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.57 P 0.41 S 0.01 C Shift Assignments>> C :: 178.298 CA :: 65.565 CB :: 31.858 CG :: 28.208 CD :: 52.150 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.211 HB2 :: 1.791 HB3 :: 1.703 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 2.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.18 Y 0.15 N 0.13 F 0.08 M 0.05 D 0.03 I 0.02 K 0.02 C Shift Assignments>> C :: 173.081 CA :: 55.595 CB :: 37.165 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.777 HA :: 4.605 HB2 :: 2.924 HB3 :: 2.676 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 114.737 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 2.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.27 G 0.15 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 171.673 CA :: 43.731 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.198 HA2 :: 3.737 HA3 :: 3.737 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.170 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 2.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.2 C Shift Assignments>> C :: 176.492 CA :: 63.117 CB :: 32.820 CG :: 27.726 CD :: 49.801 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.562 HB2 :: 2.398 HB3 :: 2.069 HG2 :: 2.105 HG3 :: 1.914 HD2 :: 3.610 HD3 :: 3.513 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) FLAG polypeptide(L) 2.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.33 E 0.27 K 0.02 M 0.01 C Shift Assignments>> C :: 177.805 CA :: 60.257 CB :: 29.871 CG :: 37.199 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.571 HA :: 4.079 HB2 :: 2.033 HB3 :: 1.966 HG2 :: 2.345 HG3 :: 2.282 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.891 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 2.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.42 C 0.04 L 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 178.865 CA :: 54.625 CB :: 19.257 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.019 HA :: 3.929 HB1 :: 1.309 HB2 :: 1.309 HB3 :: 1.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.085 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 2.A24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.37 L 0.29 M 0.18 C 0.11 K 0.02 C Shift Assignments>> C :: 177.855 CA :: 52.685 CB :: 21.944 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.434 HA :: 2.063(S) HB1 :: 0.962 HB2 :: 0.962 HB3 :: 0.962 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.846 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 2.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.17 L 0.04 C Shift Assignments>> C :: 171.151 CA :: 46.967 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.040 HA2 :: 4.225 HA3 :: 4.028 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.388 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 2.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 C Shift Assignments>> C :: 172.270 CA :: 61.235 CB :: 72.357 CG2 :: 22.349 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.377 HA :: 4.602 HB :: 4.033 HG21 :: 1.280 HG22 :: 1.280 HG23 :: 1.280 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.419 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 2.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.2 D 0.13 R 0.12 C 0.1 F 0.09 Y 0.07 N 0.01 HN Overlap>> 1.D30 1.D30 C Shift Assignments>> C :: 173.941 CA :: 55.968 CB :: 41.940 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.832 HA :: 5.899 HB2 :: 3.173 HB3 :: 3.049 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.853 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 2.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.41 K 0.07 G 0.05 M 0.01 HN Overlap>> 1.A98 1.A98 C Shift Assignments>> C :: 174.732 CA :: 56.416 CB :: 37.090 CG :: 25.406 CD :: 30.220 CE :: 43.011 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.271 HA :: 4.752 HB2 :: 1.882 HB3 :: 1.841 HG2 :: 1.613 HG3 :: 1.564 HD2 :: 1.855 HD3 :: 1.779 HE2 :: 3.104 HE3 :: 3.104 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 131.417 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 2.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.23 I 0.22 M 0.02 C Shift Assignments>> C :: 176.552 CA :: 58.580 CB :: 30.809 CG :: 38.396 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.935 HA :: 4.576 HB2 :: 2.230 HB3 :: 2.170 HG2 :: 2.625 HG3 :: 2.514 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.632 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 2.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 174.851 CA :: 59.926 CB :: 71.254 CG2 :: 22.310 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.025 HA :: 4.795 HB :: 4.576 HG21 :: 1.175 HG22 :: 1.175 HG23 :: 1.175 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.697 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 2.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.2 F 0.19 D 0.12 N 0.1 L 0.05 I 0.04 E 0.03 C Shift Assignments>> C :: 175.895 CA :: 56.192 CB :: 39.030 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.121 HA :: 4.642 HB2 :: 2.922 HB3 :: 2.875 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.773 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 2.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 173.553 CA :: 57.924 CB :: 65.565 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.305 HA :: 4.781 HB2 :: 4.284 HB3 :: 3.955 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.460 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 2.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 172.016 CA :: 47.163 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.500 HA2 :: 4.898 HA3 :: 3.977 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.019 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 2.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 171.583 CA :: 56.813 CB :: 40.403 CD1 :: 133.899 CD2 :: 133.899 CE1 :: 117.496 CE2 :: 117.496 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.777 HA :: 5.461 HB2 :: 3.097 HB3 :: 2.979 HD1 :: 6.807 HD2 :: 6.807 HE1 :: 6.729 HE2 :: 6.729 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.852 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 2.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.35 I 0.11 HN Overlap>> 1.I25 1.I25 C Shift Assignments>> C :: 176.821 CA :: 60.370 CB :: 43.955 CG1 :: 28.705 CG2 :: 17.934 CD1 :: 15.998 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.143 HA :: 4.978 HB :: 1.843 HG12 :: 1.748 HG13 :: 1.113 HG21 :: 1.105 HG22 :: 1.105 HG23 :: 1.105 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.497 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 2.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.15 C 0.11 K 0.09 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 173.702 CA :: 52.983 CB :: 41.269 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.290 HA :: 5.903 HB2 :: 2.812 HB3 :: 2.361 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.628 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 2.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.29 G 0.23 K 0.05 HN Overlap>> 2.N39 2.E59 2.N39 2.E59 C Shift Assignments>> C :: 176.298 CA :: 55.803 CB :: 32.408 CG :: 27.953 CD :: 44.339 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.549 HA :: 4.854 HB2 :: 2.033 HB3 :: 1.791 HG2 :: 1.803 HG3 :: 1.646 HD2 :: 3.409 HD3 :: 3.325 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.487 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 2.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.28 E 0.11 Y 0.08 M 0.06 F 0.04 D 0.03 K 0.02 C Shift Assignments>> C :: 175.627 CA :: 53.729 CB :: 36.867 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.149 HA :: 5.406 HB2 :: 3.363 HB3 :: 2.757 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.950 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 2.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.25 C 0.13 Y 0.07 F 0.07 L 0.06 HN Overlap>> 2.E59 2.R37 2.E59 2.R37 C Shift Assignments>> C :: 174.732 CA :: 53.207 CB :: 39.478 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.537 HA :: 4.949 HB2 :: 3.056 HB3 :: 2.464 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.482 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 2.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.22 K 0.21 E 0.16 M 0.03 R 0.03 I 0.03 C Shift Assignments>> C :: 177.223 CA :: 58.858 CB :: 29.142 CG :: 34.151 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.585 HA :: 4.320 HB2 :: 2.160 HB3 :: 2.063 HG2 :: 2.465 HG3 :: 2.465 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.587 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 2.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.434 CA :: 45.223 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.092 HA2 :: 4.338 HA3 :: 3.631 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.530 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 2.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.36 G 0.02 C Shift Assignments>> C :: 174.060 CA :: 57.414 CB :: 42.302 CD1 :: 132.805 CD2 :: 132.805 CE1 :: 118.043 CE2 :: 118.043 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.473 HA :: 5.227 HB2 :: 3.451 HB3 :: 2.646 HD1 :: 6.652 HD2 :: 6.652 HE1 :: 6.684 HE2 :: 6.684 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.004 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 2.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.33 R 0.09 K 0.05 C Shift Assignments>> C :: 174.180 CA :: 54.443 CB :: 34.321 CG :: 25.915 CD :: 44.254 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.797 HA :: 4.737 HB2 :: 1.850 HB3 :: 1.565 HG2 :: 1.434 HG3 :: 1.359 HD2 :: 3.051 HD3 :: 2.961 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.673 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 2.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.31 A 0.01 C Shift Assignments>> C :: 177.402 CA :: 58.688 CB :: 35.764 CG1 :: 26.170 CG2 :: 18.953 CD1 :: 11.906 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.694 HA :: 4.512 HB :: 1.850 HG12 :: 1.719 HG13 :: 1.124 HG21 :: 0.620 HG22 :: 0.620 HG23 :: 0.620 HD11 :: 0.433 HD12 :: 0.433 HD13 :: 0.433 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.793 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 2.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.290 CA :: 56.735 CB :: 65.565 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.076 HA :: 4.635 HB2 :: 3.534 HB3 :: 3.534 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.186 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 2.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.28 C 0.23 R 0.09 C Shift Assignments>> C :: 175.448 CA :: 54.188 CB :: 44.679 CG :: 27.528 CD1 :: 26.764 CD2 :: 25.576 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.327 HA :: 4.934 HB2 :: 1.748 HB3 :: 1.002 HG :: 1.363 HD11 :: 0.516 HD12 :: 0.516 HD13 :: 0.516 HD21 :: 0.516 HD22 :: 0.516 HD23 :: 0.516 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 133.585 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 2.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.22 R 0.13 C 0.12 K 0.07 G 0.05 N 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 177.104 CA :: 52.610 CB :: 42.761 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.308 HA :: 4.956 HB2 :: 3.173 HB3 :: 2.705 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.937 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 2.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 174.856 CA :: 46.790 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.222 HA2 :: 3.749 HA3 :: 3.749 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.197 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 2.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 175.836 CA :: 61.829 CB :: 70.744 CG2 :: 22.434 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.511 HA :: 4.477 HB :: 4.324 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.687 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 2.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 HN Overlap>> 1.G7 1.G7 C Shift Assignments>> C :: 171.001 CA :: 45.820 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.020 HA2 :: 3.908 HA3 :: 3.215 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.311 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 2.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.18 N 0.14 C 0.11 K 0.09 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 174.170 CA :: 53.339 CB :: 41.198 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.518 HA :: 4.796 HB2 :: 2.803 HB3 :: 2.664 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.634 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 2.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.15 I 0.05 A 0.02 C Shift Assignments>> C :: 173.881 CA :: 58.803 CB :: 35.523 CG1 :: 22.519 CG2 :: 18.783 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.295 HA :: 5.402 HB :: 1.843 HG11 :: 0.463 HG12 :: 0.463 HG13 :: 0.463 HG21 :: 0.686 HG22 :: 0.686 HG23 :: 0.686 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 109.212 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 2.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 172.127 CA :: 61.745 CB :: 71.424 CG2 :: 19.196 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.801 HA :: 4.613 HB :: 4.033 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.185 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 2.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.24 K 0.14 C 0.11 D 0.08 F 0.07 Y 0.05 G 0.02 C Shift Assignments>> C :: 173.538 CA :: 56.266 CB :: 42.836 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.865 HA :: 5.102 HB2 :: 3.179 HB3 :: 2.573 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.084 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 2.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.45 G 0.06 C Shift Assignments>> C :: 175.522 CA :: 59.792 CB :: 42.556 CG1 :: 26.255 CG2 :: 18.614 CD1 :: 14.453 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.390 HA :: 4.971 HB :: 2.011 HG12 :: 1.331 HG13 :: 0.996 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.967 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 2.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.F43 2.E9 1.F43 2.E9 C Shift Assignments>> C :: 176.045 CA :: 64.207 CB :: 32.708 CG1 :: 22.689 CG2 :: 21.246 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.383 HA :: 3.348 HB :: 1.799 HG11 :: 0.790 HG12 :: 0.790 HG13 :: 0.790 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.210 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 2.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.37 K 0.12 G 0.11 C Shift Assignments>> C :: 175.537 CA :: 57.160 CB :: 31.094 CG :: 28.802 CD :: 43.745 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.103 HA :: 4.037 HB2 :: 1.594 HB3 :: 1.280 HG2 :: 1.334 HG3 :: 1.334 HD2 :: 3.167 HD3 :: 2.965 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.630 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) FLAG polypeptide(L) 2.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Q 0.24 K 0.16 E 0.15 M 0.15 R 0.01 C Shift Assignments>> C :: 175.612 CA :: 56.141 CB :: 30.245 CG :: 34.151 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.268 HA :: 4.313 HB2 :: 2.047 HB3 :: 1.894 HG2 :: 2.293 HG3 :: 2.293 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.859 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 2.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.21 M 0.19 E 0.17 K 0.11 R 0.01 HN Overlap>> 2.N39 2.N39 2.R37 2.R37 C Shift Assignments>> C :: 176.343 CA :: 57.311 CB :: 30.823 CG :: 34.151 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.482 HA :: 4.284 HB2 :: 2.055 HB3 :: 1.894 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.482 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 2.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S97 1.S97 C Shift Assignments>> C :: 173.896 CA :: 58.953 CB :: 64.623 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.188 HA :: 4.423 HB2 :: 3.839 HB3 :: 3.839 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.923 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 2.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 HN Overlap>> 1.F58 1.F58 C Shift Assignments>> C :: 178.909 CA :: 46.865 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.882 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.474 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 184 #Clerical: 0 #Suspicious: 8 #Anomalous: 6 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 188 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 193 #Suspicious: 6 C Shift Results: #Consistent: 758 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 6 H Shift Results: #Consistent:1156 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 3 N Shift Results: #Consistent: 179 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.I5 C = 1.000(A), Expected = 175.82, Std = 1.9500, ChiSquare = 0.0000e+00 1.I5 SRO Rule Break>> C > CA : 1 1.I5 SRO Rule Break>> C > CB : 1 1.I5 SRO Rule Break>> C > CG1 : 1 1.I5 SRO Rule Break>> C > CG2 : 1 1.I5 SRO Rule Break>> C > CD1 : 1 1.H6 C = 1.000(A), Expected = 175.19, Std = 2.1400, ChiSquare = 0.0000e+00 1.H6 H = 1.000(A), Expected = 8.25, Std = 0.7400, ChiSquare = 1.1564e-22 1.H6 N = 1.000(A), Expected = 119.44, Std = 4.5200, ChiSquare = 0.0000e+00 1.H6 SRO Rule Break>> H > HA : 1 1.H6 SRO Rule Break>> H > HB2 : 0.998586572438163 1.H6 SRO Rule Break>> H > HB3 : 0.997118155619596 1.H6 SRO Rule Break>> C > CA : 1 1.H6 SRO Rule Break>> C > CB : 1 1.G7 C = 1.000(A), Expected = 174.04, Std = 1.9400, ChiSquare = 0.0000e+00 1.G7 SRO Rule Break>> C > CA : 1 1.K11 HA = 5.860(S), Expected = 4.28, Std = 0.4500, ChiSquare = 4.4624e-04 1.E16 C = 1.000(A), Expected = 176.93, Std = 2.1100, ChiSquare = 0.0000e+00 1.E16 SRO Rule Break>> C > CA : 1 1.E16 SRO Rule Break>> C > CB : 1 1.E16 SRO Rule Break>> C > CG : 1 1.C36 C = 1.000(A), Expected = 174.78, Std = 1.9900, ChiSquare = 0.0000e+00 1.C36 SRO Rule Break>> C > CA : 1 1.C36 SRO Rule Break>> C > CB : 1 1.K49 HE2 = 2.065(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.5253e-05 1.K49 HE3 = 1.795(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.3869e-08 1.D59 HB3 = 0.990(S), Expected = 2.70, Std = 0.2900, ChiSquare = 3.7118e-09 1.V84 HB = 0.138(S), Expected = 1.99, Std = 0.3300, ChiSquare = 1.9986e-08 1.D87 HA = 5.880(S), Expected = 4.61, Std = 0.3100, ChiSquare = 4.1895e-05 1.G96 HA3 = 2.500(S), Expected = 3.93, Std = 0.4000, ChiSquare = 3.5023e-04 1.A99 Typing: Mistyped 1.A99 CB = 26.868(A), Expected = 18.90, Std = 1.8500, ChiSquare = 1.6546e-05 1.E111 HG2 = 1.220(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.0976e-07 1.E111 HG3 = 1.210(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.6224e-07 1.Q116 HE21 = 2.380(A), Expected = 7.17, Std = 0.4600, ChiSquare = 2.1620e-25 1.Q116 HE22 = 2.365(A), Expected = 7.07, Std = 0.4900, ChiSquare = 7.8377e-22 1.Q116 SRO Rule Break>> HE21 > HA : 0.998812351543943 1.Q116 SRO Rule Break>> HE22 > HA : 0.997619047619048 1.Q116 SRO Rule Break>> HE22 > HG2 : 1 1.Q116 SRO Rule Break>> HE22 > HG3 : 1 2.A24 HA = 2.063(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.6864e-07