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.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.15 H 0.14 W 0.13 E 0.13 C 0.12 Q 0.11 M 0.09 K 0.07 V 0.01 I 0.01 C Shift Assignments>> C :: 176.141 CA :: 56.317 CB :: 30.629 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) FLAG polypeptide(L) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.19 C 0.16 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 174.375 CA :: 53.555 CB :: 38.873 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 :: 8.698 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 :: 120.04 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G5 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 :: 176.978 CA :: 45.712 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.518 HA2 :: 3.951 HA3 :: 3.984 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.591 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.17 C 0.12 F 0.12 K 0.11 Y 0.11 N 0.08 R 0.02 I 0.01 C Shift Assignments>> C :: 176.978 CA :: 55.23 CB :: 40.767 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 :: 8.336 HA :: 4.545 HB2 :: 2.629 HB3 :: 2.697 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 :: 121.08 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.2 Y 0.14 D 0.13 F 0.11 E 0.04 L 0.03 I 0.01 M 0.01 HN Overlap>> 1.Q136 1.Q136 C Shift Assignments>> C :: 175.444 CA :: 54.646 CB :: 38.398 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 :: 8.566 HA :: 4.576 HB2 :: 2.806 HB3 :: 2.833 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 :: 119.598 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.18 K 0.06 M 0.02 Q 0.02 C Shift Assignments>> C :: 175.444 CA :: 58.809 CB :: 29.45 CG :: 36.569 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 :: 8.496 HA :: 4.144 HB2 :: 2.059 HG2 :: 2.305 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 :: 121.869 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.14 W 0.12 M 0.11 R 0.1 V 0.08 E 0.08 H 0.07 Q 0.05 I 0.01 HN Overlap>> 1.Y175 1.Y175 C Shift Assignments>> C :: 179.196 CA :: 58.611 CB :: 32.242 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 :: 8.195 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 :: 121.112 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.M10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.45 A 0.06 C Shift Assignments>> C :: 177.559 CA :: 56.76 CB :: 31.694 CG :: 32.021 CE :: 16.984 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.25 HA :: 4.446 HB2 :: 2.05 HB3 :: 2.102 HG2 :: 2.073 HG3 :: 2.582 HE1 :: 2.069 HE2 :: 2.069 HE3 :: 2.069 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.355 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.44 C 0.02 I 0.02 C Shift Assignments>> C :: 180.557 CA :: 54.646 CB :: 18.128 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.334 HA :: 4.188 HB1 :: 1.472 HB2 :: 1.472 HB3 :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.298 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.348 CA :: 54.898 CB :: 17.877 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.092 HA :: 4.184 HB1 :: 1.47 HB2 :: 1.47 HB3 :: 1.47 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.617 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.38 R 0.09 C Shift Assignments>> C :: 178.93 CA :: 58.284 CB :: 41.664 CG :: 27.118 CD1 :: 24.012 CD2 :: 25.81 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 :: 7.945 HA :: 4.108 HB2 :: 1.672 HB3 :: 2.01 HG :: 1.504 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 HD21 :: 0.975 HD22 :: 0.975 HD23 :: 0.975 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 :: 120.86 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.29 I 0.26 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.465 CA :: 60.131 CB :: 29.322 CG :: 36.266 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 :: 8.512 HA :: 3.746 HB2 :: 1.917 HB3 :: 2.227 HG2 :: 2.015 HG3 :: 2.736 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 :: 117.075 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.04 C 0.02 HN Overlap>> 1.K88 1.K88 C Shift Assignments>> C :: 180.301 CA :: 55.119 CB :: 17.64 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.899 HA :: 4.042 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.608 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.39 M 0.01 C Shift Assignments>> C :: 180.232 CA :: 60.172 CB :: 33.217 CG :: 26.207 CD :: 29.56 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 :: 7.787 HA :: 4.014 HB2 :: 1.918 HB3 :: 1.953 HG2 :: 1.446 HG3 :: 1.757 HD2 :: 1.622 HD3 :: 1.659 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 :: 118.337 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.25 G 0.01 C Shift Assignments>> C :: 177.42 CA :: 66.03 CB :: 41.028 CG1 :: 30.223 CD1 :: 16.494 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 :: 8.518 HA :: 3.377 HB :: 1.911 HG12 :: 0.709 HG13 :: 1.898 HD11 :: 0.705 HD12 :: 0.705 HD13 :: 0.705 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 :: 121.112 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.44 C 0.05 V 0.02 C Shift Assignments>> C :: 177.954 CA :: 64.33 CB :: 25.849 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.236 HA :: 3.765 HB2 :: 2.811 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 :: 117.08 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.H19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.14 M 0.11 W 0.11 V 0.1 R 0.09 Q 0.07 E 0.07 H 0.06 I 0.01 HN Overlap>> 1.S73 1.S73 C Shift Assignments>> C :: 177.699 CA :: 58.821 CB :: 32.558 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 :: 8.443 HB2 :: 3.208 HB3 :: 3.208 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 :: 115.813 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 Q 0.12 H 0.12 C 0.12 K 0.11 R 0.11 I 0.04 M 0.03 V 0.01 C Shift Assignments>> C :: 179.976 CA :: 57.874 CB :: 29.561 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 :: 8.218 HA :: 3.944 HB2 :: 2.229 HB3 :: 2.229 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 :: 118.337 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> 1.N106 1.N106 C Shift Assignments>> C :: 177.373 CA :: 66.52 CB :: 38.680 CD1 :: 14.696 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 :: 8.294 HA :: 3.935 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 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 :: 119.094 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.4 E 0.15 K 0.01 L 0.01 HN Overlap>> 1.K165 1.K165 C Shift Assignments>> C :: 178.512 CA :: 58.962 CB :: 27.585 CG :: 37.788 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 :: 8.916 HA :: 3.812 HB2 :: 1.806 HB3 :: 2.122 HG2 :: 2.032 HG3 :: 2.413 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 :: 117.33 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.18 Y 0.1 F 0.08 V 0.03 E 0.02 C Shift Assignments>> C :: 177.373 CA :: 62.72 CB :: 37.452 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 :: 7.72 HA :: 4.159 HB2 :: 2.856 HB3 :: 3.046 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 :: 119.33 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.22 E 0.17 F 0.14 I 0.09 M 0.02 N 0.02 D 0.01 K 0.01 C Shift Assignments>> C :: 177.513 CA :: 57.677 CB :: 37.531 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 :: 7.819 HA :: 4.154 HB2 :: 3.333 HB3 :: 3.333 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 :: 119.598 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 C 0.19 I 0.15 L 0.03 D 0.03 K 0.01 E 0.01 C Shift Assignments>> C :: 173.399 CA :: 58.751 CB :: 39.618 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 :: 7.787 HA :: 4.374 HB2 :: 2.858 HB3 :: 3.364 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 :: 111.357 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.G26 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 :: 173.19 CA :: 45.503 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.383 HA2 :: 3.963 HA3 :: 4.114 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.329 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.18 D 0.16 C 0.16 L 0.12 K 0.07 N 0.05 I 0.03 C Shift Assignments>> C :: 175.909 CA :: 56.367 CB :: 40.226 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 :: 8.629 HA :: 4 HB2 :: 2.331 HB3 :: 2.504 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 :: 115.08 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.19 I 0.19 L 0.02 D 0.01 E 0.01 HN Overlap>> 1.S112 1.S112 C Shift Assignments>> C :: 177.536 CA :: 59.215 CB :: 39.425 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 :: 7.767 HB2 :: 2.808 HB3 :: 3.001 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 :: 115.813 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.16 L 0.15 Y 0.13 C 0.12 D 0.09 R 0.06 I 0.02 N 0.01 HN Overlap>> 1.E50 1.E50 C Shift Assignments>> C :: 176.281 CA :: 57.185 CB :: 41.399 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 :: 8.772 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 :: 116.808 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 L 0.16 C Shift Assignments>> CA :: 60.941 CB :: 39.476 CG :: 27.118 CD1 :: 24.176 CD2 :: 26.207 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 :: 7.947 HA :: 4.123 HB2 :: 1.701 HB3 :: 1.701 HG :: 1.501 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 HD21 :: 0.906 HD22 :: 0.906 HD23 :: 0.906 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 :: 118.864 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.14 C Shift Assignments>> C :: 177.28 CA :: 65.293 CB :: 31.694 CG :: 28.589 CD :: 50.179 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 :: 4.234 HB2 :: 1.495 HB3 :: 2.246 HG2 :: 1.705 HG3 :: 1.913 HD2 :: 3.052 HD3 :: 3.419 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.R32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 C 0.33 K 0.23 G 0.02 C Shift Assignments>> C :: 175.235 CA :: 54.344 CB :: 30.822 CD :: 42.481 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 :: 7.273 HD2 :: 2.069(S) HD3 :: 2.534 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 :: 112.696 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.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.19 L 0.15 C 0.11 K 0.06 F 0.06 Y 0.05 R 0.01 C Shift Assignments>> C :: 174.329 CA :: 53.16 CB :: 40.837 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 :: 7.47 HA :: 4.665 HB2 :: 2.576 HB3 :: 3.053 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 :: 123.233 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.11 C Shift Assignments>> C :: 178.117 CA :: 60.579 CB :: 32.607 CG :: 25.293 CE :: 41.752 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 :: 8.465 HA :: 3.758 HB2 :: 1.863 HG2 :: 1.395 HG3 :: 1.526 HE2 :: 2.651 HE3 :: 2.807 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 :: 126.574 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 F 0.23 Y 0.2 C 0.16 C Shift Assignments>> C :: 178.094 CA :: 61.132 CB :: 39.618 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 :: 8.247 HA :: 4.135 HB2 :: 2.789 HB3 :: 3.003 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 :: 118.093 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.32 R 0.12 G 0.02 C Shift Assignments>> C :: 178.396 CA :: 57.343 CB :: 42.481 CG :: 27.118 CD1 :: 23.769 CD2 :: 25.32 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 :: 8.095 HA :: 3.724 HB2 :: 1.319 HB3 :: 1.319 HG :: 1.365 HD11 :: 0.5 HD12 :: 0.5 HD13 :: 0.5 HD21 :: 0.273 HD22 :: 0.273 HD23 :: 0.273 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 :: 121.177 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.36 M 0.01 C Shift Assignments>> C :: 179.163 CA :: 60.579 CB :: 31.699 CG :: 26.208 CD :: 29.561 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 :: 8.812 HA :: 3.704 HB2 :: 1.612 HB3 :: 1.825 HG2 :: 1.247 HG3 :: 1.733 HD2 :: 1.513 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 :: 118.093 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.14 K 0.12 Q 0.06 M 0.01 C Shift Assignments>> C :: 179.418 CA :: 58.527 CB :: 28.75 CG :: 35.96 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 :: 7.316 HA :: 3.979 HB2 :: 1.928 HB3 :: 1.99 HG2 :: 2.218 HG3 :: 2.342 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 :: 116.294 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 K 0.27 R 0.21 Q 0.16 M 0.05 E 0.02 HN Overlap>> 1.W46 1.W46 1.M52 1.M52 C Shift Assignments>> CA :: 57.588 CB :: 28.241 CG :: 32.303 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 :: 7.619 HA :: 3.825 HB2 :: 1.885 HB3 :: 2.15 HG2 :: 1.714 HG3 :: 1.841 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 :: 117.579 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.9 C 0.09 C Shift Assignments>> CA :: 64.605 CB :: 38.399 CG1 :: 27.122 CG2 :: 17.148 CD1 :: 14.696 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>> HA :: 3.953 HB :: 2.104 HG12 :: 1.268 HG13 :: 1.427 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 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) FLAG polypeptide(L) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.47 M 0.03 C Shift Assignments>> C :: 178.442 CA :: 57.33 CB :: 33.322 CG :: 24.988 CD :: 29.56 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 :: 6.964 HA :: 4.207 HB2 :: 1.777 HB3 :: 1.889 HG2 :: 1.414 HG3 :: 1.639 HD2 :: 1.651 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 :: 117.833 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.4 R 0.07 G 0.03 A 0.01 C Shift Assignments>> C :: 177.652 CA :: 57.693 CB :: 42.481 CG :: 26.301 CD1 :: 22.214 CD2 :: 25.32 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 :: 7.047 HA :: 4.055 HB2 :: 1.499 HB3 :: 1.846 HG :: 1.828 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 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 :: 117.58 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.16 N 0.16 C 0.11 K 0.08 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 174.608 CA :: 53.224 CB :: 41.01 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 :: 9.397 HA :: 4.878 HB2 :: 2.371 HB3 :: 2.799 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 :: 121.112 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.27 I 0.2 K 0.05 L 0.01 C Shift Assignments>> C :: 175.142 CA :: 57.219 CB :: 28.098 CG :: 37.415 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 :: 8.989 HA :: 3.767 HB2 :: 2.135 HG2 :: 2.165 HG3 :: 2.311 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 :: 114.047 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.G45 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 :: 173.562 CA :: 45.708 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.557 HA2 :: 3.662 HA3 :: 4.103 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.815 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.W46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 H 0.27 W 0.24 HN Overlap>> 1.Q39 1.M52 1.Q39 1.M52 C Shift Assignments>> CA :: 57.171 CB :: 30.475 CD1 :: 129.513 CE3 :: 117.731 CZ2 :: 114.074 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.707 HA :: 4.493 HB2 :: 2.74 HB3 :: 3.619 HD1 :: 7.556 HE3 :: 6.777 HZ2 :: 7.356 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 117.58 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.39 C Shift Assignments>> CA :: 59.43 CB :: 35.29 CG1 :: 20.907 CG2 :: 21.724 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 :: 10.174 HA :: 4.81 HB :: 2.155 HG11 :: 1.021 HG12 :: 1.021 HG13 :: 1.021 HG21 :: 1.103 HG22 :: 1.103 HG23 :: 1.103 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 :: 125.821 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.36 G 0.01 C Shift Assignments>> CA :: 62.525 CB :: 32.965 CG :: 27.935 CD :: 48.883 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>> HB2 :: 1.939 HB3 :: 2.726 HG2 :: 2.016 HG3 :: 2.222 HD2 :: 3.692 HD3 :: 4.144 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.L49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.8 L 0.18 C Shift Assignments>> C :: 177.536 CA :: 60.106 CB :: 39.618 CG :: 27.281 CD1 :: 23.522 CD2 :: 26.464 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 :: 8.921 HA :: 3.661 HB2 :: 0.344(S) HB3 :: 0.343(S) HG :: 1.128 HD11 :: 0.554 HD12 :: 0.554 HD13 :: 0.554 HD21 :: 0.539 HD22 :: 0.539 HD23 :: 0.539 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 :: 127.083 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.2 K 0.06 M 0.03 Q 0.02 HN Overlap>> 1.N29 1.N29 C Shift Assignments>> C :: 177.303 CA :: 59.693 CB :: 29.796 CG :: 36.271 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 :: 8.806 HA :: 4.144 HB2 :: 2.062 HB3 :: 2.177 HG2 :: 2.413 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 :: 116.83 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 178.28 CA :: 61.802 CB :: 36.861 CG1 :: 28.098 CG2 :: 17.674 CD1 :: 10.61 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 :: 7.166 HA :: 4.141 HB :: 2.227 HG12 :: 1.498 HG13 :: 1.667 HG21 :: 1.108 HG22 :: 1.108 HG23 :: 1.108 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 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 :: 116.823 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.M52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 M 0.05 A 0.03 HN Overlap>> 1.W46 1.Q39 1.W46 1.Q39 C Shift Assignments>> C :: 179.163 CA :: 54.976 CB :: 27.664 CG :: 29.255 CE :: 14.017 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.691 HA :: 4.29 HB2 :: 1.822 HB3 :: 2.135 HG2 :: 2.405 HE1 :: 1.186 HE2 :: 1.186 HE3 :: 1.186 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.58 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 176.141 CA :: 63.347 CB :: 38.295 CG1 :: 26.791 CG2 :: 18.455 CD1 :: 15.023 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 :: 8.228 HA :: 4.298 HB :: 2.257 HG12 :: 1.483 HG13 :: 1.719 HG21 :: 1.126 HG22 :: 1.126 HG23 :: 1.126 HD11 :: 1.095 HD12 :: 1.095 HD13 :: 1.095 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 :: 109.843 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 K 0.15 M 0.15 R 0.11 W 0.11 H 0.09 E 0.09 Q 0.06 V 0.03 C Shift Assignments>> C :: 177.303 CA :: 57.297 CB :: 32.163 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 :: 8.032 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 :: 119.851 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.27 Y 0.1 M 0.08 K 0.06 I 0.05 F 0.04 Q 0.03 V 0.01 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> CA :: 57.756 CB :: 35.976 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 :: 8.614 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 :: 124.559 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.N56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.17 T 0.13 V 0.13 F 0.09 C 0.08 S 0.07 Y 0.07 W 0.06 E 0.03 R 0.02 P 0.02 K 0.02 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 172.911 CA :: 60.658 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) FLAG polypeptide(L) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.31 R 0.2 G 0.04 HN Overlap>> 1.F118 1.F118 C Shift Assignments>> C :: 177.071 CA :: 57.328 CB :: 42.871 CG :: 27.731 CD1 :: 24.379 CD2 :: 25.598 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 :: 7.396 HA :: 4.475 HB2 :: 1.527 HB3 :: 2.45 HG :: 1.812 HD11 :: 1.066 HD12 :: 1.066 HD13 :: 1.066 HD21 :: 0.934 HD22 :: 0.934 HD23 :: 0.934 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 :: 118.58 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.22 F 0.16 N 0.1 E 0.09 D 0.07 I 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 176.629 CA :: 56.276 CB :: 38.198 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 :: 8.591 HA :: 4.436 HB2 :: 2.936 HB3 :: 2.936 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 :: 117.327 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.13 K 0.04 L 0.01 C Shift Assignments>> C :: 177.373 CA :: 57.314 CB :: 30.074 CG :: 27.427 CD :: 43.884 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 :: 7.429 HA :: 4.085 HB2 :: 1.832 HG2 :: 1.718 HD2 :: 3.125 HD3 :: 3.164 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 :: 114.299 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.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.38 R 0.12 A 0.02 G 0.01 C Shift Assignments>> C :: 176.606 CA :: 56.579 CB :: 42.16 CG :: 26.512 CD1 :: 22.55 CD2 :: 26.512 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 :: 7.821 HA :: 4.288 HB2 :: 1.24 HB3 :: 2.311 HG :: 2.02 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 HD21 :: 0.887 HD22 :: 0.887 HD23 :: 0.887 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 :: 120.103 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.1 S 0.06 C Shift Assignments>> C :: 177.9 CA :: 62.136 CB :: 67.131 CG2 :: 19.926 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 :: 8.211 HA :: 4.472 HB :: 4.356 HG21 :: 0.91 HG22 :: 0.91 HG23 :: 0.91 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 :: 112.366 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.17 C Shift Assignments>> C :: 173.143 CA :: 60.131 CB :: 68.867 CG2 :: 22.378 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 :: 7.821 HA :: 4.562 HG21 :: 1.239 HG22 :: 1.239 HG23 :: 1.239 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 :: 109.843 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.24 K 0.12 C 0.1 R 0.08 N 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.792 CA :: 53.494 CB :: 41.991 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 :: 8.793 HA :: 4.528 HB2 :: 2.449 HB3 :: 2.983 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 :: 125.064 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 C 0.42 F 0.1 HN Overlap>> 1.K116 1.K116 C Shift Assignments>> CA :: 58.648 CB :: 37.584 CD1 :: 128.903 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 :: 8.962 HA :: 4.248 HB2 :: 3.175 HB3 :: 3.375 HD1 :: 7.154 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 :: 126.83 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.22 F 0.16 N 0.1 E 0.08 D 0.07 I 0.04 L 0.02 M 0.01 HN Overlap>> 1.R90 1.R90 C Shift Assignments>> C :: 177.884 CA :: 56.23 CB :: 38.298 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 :: 8.464 HA :: 4.405 HB2 :: 2.748 HB3 :: 2.945 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 :: 115.561 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.489 CA :: 66.48 CB :: 31.858 CG1 :: 20.907 CG2 :: 22.705 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 :: 7.559 HA :: 3.621 HB :: 2.279 HG11 :: 0.903 HG12 :: 0.903 HG13 :: 0.903 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 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 :: 121.617 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 176.995 CA :: 66.299 CB :: 37.205 CG1 :: 30.17 CG2 :: 17.148 CD1 :: 13.879 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 :: 7.72 HA :: 3.497 HB :: 1.913 HG12 :: 0.639 HG13 :: 1.945 HG21 :: 0.661 HG22 :: 0.661 HG23 :: 0.661 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 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 :: 118.589 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> 1.N193 1.N193 C Shift Assignments>> C :: 178.465 CA :: 67.102 CB :: 31.693 CG1 :: 22.246 CG2 :: 22.705 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 :: 8.269 HA :: 3.516 HB :: 2.2 HG11 :: 0.947 HG12 :: 0.947 HG13 :: 0.947 HG21 :: 1.098 HG22 :: 1.098 HG23 :: 1.098 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 :: 116.57 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 I 0.12 E 0.12 K 0.1 R 0.09 Q 0.09 H 0.08 V 0.02 M 0.02 C Shift Assignments>> C :: 179.093 CA :: 59.523 CB :: 29.322 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 :: 8.339 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 :: 122.122 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.32 C 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 180.023 CA :: 55.576 CB :: 18.946 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.199 HA :: 3.794 HB1 :: 1.601 HB2 :: 1.601 HB3 :: 1.601 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.608 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.35 R 0.12 G 0.03 HN Overlap>> 1.S73 1.S73 C Shift Assignments>> C :: 180.278 CA :: 57.257 CB :: 42.645 CG :: 26.464 CD1 :: 23.195 CD2 :: 26.301 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 :: 8.311 HB2 :: 1.348 HB3 :: 1.79 HG :: 1.868 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 HD21 :: 0.76 HD22 :: 0.76 HD23 :: 0.76 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 :: 115.813 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L72 1.H19 1.L72 1.H19 C Shift Assignments>> C :: 174.77 CA :: 61.488 CB :: 62.947 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.38 HA :: 4.188 HB2 :: 3.948 HB3 :: 4.002 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 :: 115.813 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.24 M 0.02 G 0.01 C Shift Assignments>> C :: 176.583 CA :: 55.94 CB :: 33.217 CG :: 25.293 CD :: 29.56 CE :: 42.36 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 :: 7.147 HA :: 4.396 HB2 :: 1.673 HB3 :: 1.989 HG2 :: 1.358 HG3 :: 1.554 HD2 :: 1.632 HE2 :: 2.895 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 :: 119.094 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.793 CA :: 58.466 CB :: 63.5 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.218 HA :: 4.81 HB2 :: 3.898 HB3 :: 4.313 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 :: 114.047 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.29 K 0.28 G 0.05 M 0.02 C Shift Assignments>> C :: 177.373 CA :: 56.367 CB :: 32.303 CG :: 25.293 CD :: 28.646 CE :: 43.274 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 :: 9.282 HA :: 4.413 HB2 :: 1.77 HB3 :: 2.008 HG2 :: 1.499 HG3 :: 1.564 HD2 :: 1.687 HE2 :: 3.044 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 :: 127.587 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 177.001 CA :: 54.029 CB :: 18.619 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.45 HA :: 4.074 HB1 :: 1.355 HB2 :: 1.355 HB3 :: 1.355 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.288 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.26 I 0.11 K 0.09 Q 0.03 HN Overlap>> 1.S94 1.S94 C Shift Assignments>> C :: 178.465 CA :: 56.365 CB :: 27.427 CG :: 36.569 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 :: 7.798 HA :: 3.903 HB2 :: 1.995 HB3 :: 2.083 HG2 :: 2.114 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 :: 110.862 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.29 L 0.14 A 0.01 C Shift Assignments>> C :: 175.653 CA :: 56.869 CB :: 45.26 CD1 :: 22.855 CD2 :: 26.301 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 :: 7.874 HA :: 4.241 HB2 :: 1.31 HB3 :: 1.501 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.822 HD22 :: 0.822 HD23 :: 0.822 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 :: 120.355 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.44 A 0.04 C Shift Assignments>> C :: 177.118 CA :: 51.407 CB :: 30.475 CG :: 31.389 CE :: 13.879 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.128 HA :: 5.158 HB2 :: 1.572 HB3 :: 1.939 HG2 :: 2.256 HG3 :: 2.384 HE1 :: 0.467 HE2 :: 0.467 HE3 :: 0.467 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 111.862 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.22 E 0.12 C Shift Assignments>> C :: 174.561 CA :: 54.417 CB :: 33.523 CG :: 36.57 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 :: 9.452 HA :: 4.599 HB2 :: 1.576 HB3 :: 1.929 HG2 :: 2.056 HG3 :: 2.226 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 :: 121.33 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 HN Overlap>> 1.K174 1.K174 C Shift Assignments>> C :: 175.909 CA :: 60.253 CB :: 40.847 CG1 :: 28.341 CG2 :: 18.946 CD1 :: 15.023 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 :: 8.701 HA :: 4.783 HB :: 1.667 HG12 :: 0.958 HG13 :: 1.495 HG21 :: 1.126 HG22 :: 1.126 HG23 :: 1.126 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 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 :: 122.122 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F55 1.F55 C Shift Assignments>> CA :: 59.382 CB :: 62.717 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.559 HA :: 3.672 HB2 :: 2.265(S) HB3 :: 3.487 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 :: 124.559 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.24 K 0.07 Q 0.02 M 0.01 HN Overlap>> 1.L138 1.L138 C Shift Assignments>> C :: 176.444 CA :: 59.807 CB :: 29.255 CG :: 36.265 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 :: 8.881 HA :: 3.943 HB2 :: 1.931 HB3 :: 1.982 HG2 :: 2.228 HG3 :: 2.303 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 :: 124.055 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.3 C 0.12 L 0.09 F 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 177.421 CA :: 52.948 CB :: 40.03 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 :: 8.047 HA :: 4.377 HB2 :: 2.495 HB3 :: 2.971 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 :: 114.047 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.36 K 0.21 G 0.02 C Shift Assignments>> C :: 175.049 CA :: 57.629 CB :: 29.561 CG :: 25.598 CD :: 29.561 CE :: 42.665 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 :: 8.026 HA :: 3.532 HB2 :: 1.97 HB3 :: 2.132 HG2 :: 1.226 HG3 :: 1.382 HD2 :: 1.566 HD3 :: 1.706 HE2 :: 2.957 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 :: 113.038 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T87 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 :: 175.096 CA :: 62.421 CB :: 71.077 CG2 :: 20.743 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 :: 7.563 HA :: 4.364 HB :: 4.214 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 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 :: 103.116 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 K 0.14 M 0.06 A 0.03 HN Overlap>> 1.A15 1.A15 C Shift Assignments>> C :: 173.492 CA :: 54.874 CB :: 36.761 CG :: 23.465 CD :: 29.865 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 :: 7.867 HA :: 5.007 HB2 :: 1.271 HB3 :: 1.727 HG2 :: 1.155 HD2 :: 1.266 HD3 :: 1.38 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 :: 120.608 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.32 G 0.13 A 0.01 C Shift Assignments>> C :: 173.817 CA :: 59.159 CB :: 42.969 CG2 :: 17.475 CD1 :: 14.696 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 :: 8.376 HA :: 5.746 HB :: 1.593 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 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 :: 111.609 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R90 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.57 K 0.24 G 0.13 R 0.02 A 0.01 HN Overlap>> 1.N66 1.N66 C Shift Assignments>> C :: 173.701 CA :: 54.096 CB :: 34.742 CG :: 24.075 CD :: 43.275 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 :: 8.499 HA :: 4.335 HB2 :: 0.883 HB3 :: 1.168 HG2 :: -0.119(S) HG3 :: 0.401(S) HD2 :: 0.235(A) HD3 :: 2.096(S) 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 :: 115.561 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD2 > HB2 : 0.9950) (HD2 > HB3 : 0.9951) (HD2 > HG3 : 0.9983) FLAG polypeptide(L) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 C 0.24 L 0.2 K 0.11 G 0.08 C Shift Assignments>> C :: 176.165 CA :: 56.334 CG :: 28.341 CD :: 43.58 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 :: 9.226 HA :: 4.415 HG2 :: 1.505 HG3 :: 1.578 HD2 :: 2.933 HD3 :: 3.826 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 :: 124.58 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.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.272 CB :: 64.447 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.262 HA :: 4.81 HB2 :: 3.52 HB3 :: 3.768 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 :: 122.83 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 177.931 CA :: 64.131 CB :: 31.858 CG :: 27.427 CD :: 51.703 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 :: 4.227 HB2 :: 1.85 HB3 :: 2.236 HG2 :: 1.73 HG3 :: 1.914 HD2 :: 3.501 HD3 :: 3.747 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.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E78 1.E78 C Shift Assignments>> C :: 173.143 CA :: 59.001 CB :: 62.947 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.809 HA :: 4.312 HB2 :: 3.902 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 :: 110.852 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.31 M 0.11 R 0.07 A 0.02 P 0.01 C Shift Assignments>> CA :: 52.482 CB :: 31.999 CG :: 24.176 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 :: 7.606 HA :: 4.842 HB2 :: 1.712 HB3 :: 1.832 HG2 :: 1.253 HG3 :: 1.495 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 :: 121.869 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.21 CA :: 62.809 CB :: 31.858 CG :: 27.118 CD :: 50.484 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 :: 4.354 HB2 :: 1.848 HB3 :: 2.196 HG2 :: 1.831 HG3 :: 1.885 HD2 :: 3.338 HD3 :: 3.576 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.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.27 R 0.07 A 0.01 C Shift Assignments>> CA :: 53.554 CB :: 41.446 CG :: 27.771 CD1 :: 24.012 CD2 :: 25.483 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 :: 8.518 HA :: 4.16 HB2 :: 1.405 HB3 :: 1.62 HG :: 1.588 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 HD21 :: 0.796 HD22 :: 0.796 HD23 :: 0.796 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 :: 123.802 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.61 P 0.38 C Shift Assignments>> C :: 176.304 CA :: 62.24 CB :: 31.693 CG :: 29.865 CD :: 50.179 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 :: 4.16 HB2 :: 1.155 HB3 :: 1.898 HG2 :: 1.803 HD2 :: 3.343 HD3 :: 3.574 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.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 K 0.1 M 0.08 Q 0.05 I 0.04 HN Overlap>> 1.D196 1.D196 C Shift Assignments>> C :: 176.281 CA :: 55.994 CB :: 29.865 CG :: 36.265 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 :: 8.203 HA :: 4.007 HB2 :: 1.802 HG2 :: 2.074 HG3 :: 2.208 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 :: 122.288 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 175.746 CA :: 63.062 CB :: 30.169 CG1 :: 21.027 CG2 :: 22.246 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 :: 8.65 HA :: 3.729 HB :: 1.982 HG11 :: 0.728 HG12 :: 0.728 HG13 :: 0.728 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 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 :: 127.335 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.T101 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 :: 175.026 CA :: 59.632 CB :: 72.025 CG2 :: 21.941 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 :: 7.336 HA :: 4.562 HG21 :: 1.153 HG22 :: 1.153 HG23 :: 1.153 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 :: 117.58 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 C 0.17 I 0.08 L 0.07 K 0.06 D 0.06 N 0.01 C Shift Assignments>> C :: 178.396 CA :: 58.024 CB :: 40.226 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 :: 9.077 HA :: 4.349 HB2 :: 2.589 HB3 :: 2.619 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 :: 121.617 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.32 E 0.28 K 0.03 M 0.01 C Shift Assignments>> C :: 178.628 CA :: 59.926 CB :: 29.255 CG :: 36.875 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 :: 8.615 HA :: 4.029 HB2 :: 1.957 HG2 :: 2.327 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 :: 119.851 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 HN Overlap>> 1.K109 1.K109 C Shift Assignments>> C :: 177.373 CA :: 61.387 CB :: 39.009 CD1 :: 131.950 CE1 :: 117.426 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 :: 8.088 HA :: 4.28 HB2 :: 3.145 HB3 :: 3.286 HD1 :: 7.042 HE1 :: 6.674 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 :: 123.045 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 V 0.18 W 0.12 K 0.1 R 0.08 M 0.07 E 0.07 H 0.05 Q 0.03 I 0.03 P 0.03 C Shift Assignments>> C :: 177.675 CA :: 59.923 CB :: 32.242 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 :: 8.407 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 :: 117.832 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.21 F 0.16 N 0.12 D 0.09 E 0.07 I 0.04 L 0.03 M 0.01 HN Overlap>> 1.I21 1.I21 C Shift Assignments>> C :: 176.025 CA :: 55.994 CB :: 38.398 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 :: 8.279 HA :: 4.382 HB2 :: 2.786 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 :: 119.094 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.15 R 0.15 F 0.14 C 0.12 Y 0.1 D 0.05 I 0.02 C Shift Assignments>> C :: 178.047 CA :: 57.738 CB :: 42.055 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 :: 7.996 HA :: 4.343 HB2 :: 2.743 HB3 :: 2.788 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 :: 121.869 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> 1.E194 1.V195 1.N110 1.E194 1.V195 1.N110 C Shift Assignments>> C :: 180.301 CA :: 67.091 CB :: 31.998 CG1 :: 23.16 CG2 :: 21.636 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 :: 7.985 HA :: 3.346 HB :: 1.88 HG11 :: 0.656 HG12 :: 0.656 HG13 :: 0.656 HG21 :: 0.887 HG22 :: 0.887 HG23 :: 0.887 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 :: 117.327 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.18 K 0.15 M 0.06 G 0.05 HN Overlap>> 1.Y104 1.Y104 C Shift Assignments>> C :: 179.163 CA :: 60.709 CB :: 31.693 CG :: 24.379 CD :: 31.389 CE :: 42.665 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 :: 8.058 HA :: 3.887 HB2 :: 1.918 HB3 :: 2.058 HG2 :: 1.467 HG3 :: 1.535 HD2 :: 1.924 HD3 :: 2.046 HE2 :: 2.959 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 :: 123.08 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.2 Y 0.14 D 0.13 F 0.11 E 0.04 L 0.03 I 0.01 M 0.01 HN Overlap>> 1.V108 1.V108 C Shift Assignments>> C :: 174.375 CA :: 54.692 CB :: 38.398 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 :: 8.042 HB2 :: 2.782 HB3 :: 2.966 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 :: 117.327 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.3 K 0.23 M 0.04 Q 0.03 C Shift Assignments>> C :: 174.329 CA :: 54.867 CB :: 31.084 CG :: 27.732 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 :: 7.54 HA :: 4.693 HB2 :: 1.938 HG2 :: 1.543 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 :: 114.552 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.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.F28 1.F28 C Shift Assignments>> C :: 173.399 CA :: 58.465 CB :: 65.157 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.835 HA :: 5.917 HB2 :: 4.686 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 :: 115.813 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.25 C Shift Assignments>> C :: 173.399 CA :: 61.372 CB :: 37.088 CG1 :: 22.55 CG2 :: 22.541 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 :: 9.651 HA :: 4.672 HB :: 2.043 HG11 :: 0.976 HG12 :: 0.976 HG13 :: 0.976 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 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 :: 123.802 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Y114 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 :: 173.306 CA :: 56.026 CB :: 41.447 CD1 :: 131.341 CE1 :: 117.122 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 :: 9.946 HA :: 5.356 HB2 :: 2.613 HB3 :: 2.812 HD1 :: 6.329 HE1 :: 6.08 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 :: 128.58 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.14 G 0.02 C Shift Assignments>> C :: 173.655 CA :: 59.714 CB :: 41.828 CG2 :: 20.417 CD1 :: 16.167 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 :: 8.078 HA :: 4.958 HB :: 1.571 HG21 :: 0.602 HG22 :: 0.602 HG23 :: 0.602 HD11 :: 1.117 HD12 :: 1.117 HD13 :: 1.117 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 :: 124.055 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.19 N 0.16 Y 0.1 M 0.09 F 0.04 K 0.03 D 0.01 I 0.01 Q 0.01 HN Overlap>> 1.F65 1.F65 C Shift Assignments>> C :: 174.654 CA :: 54.803 CB :: 36.57 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 :: 9.052 HA :: 4.363 HB2 :: 1.529 HB3 :: 1.609 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 :: 126.83 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 178.396 CA :: 44.729 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.489 HA2 :: 3.477 HA3 :: 4.322 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.33 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.F118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 F 0.37 Y 0.14 HN Overlap>> 1.L58 1.L58 C Shift Assignments>> C :: 178.024 CA :: 57.229 CB :: 38.704 CD1 :: 129.207 CE1 :: 130.122 CZ :: 127.988 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 :: 7.401 HA :: 3.87 HB2 :: 2.252 HB3 :: 2.587 HD1 :: 6.086 HE1 :: 6.307 HZ :: 6.486 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 :: 118.58 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.P119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.23 R 0.07 K 0.05 Q 0.01 I 0.01 C Shift Assignments>> CA :: 62.43 CB :: 32.184 CG :: 27.986 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>> HB2 :: 2.228 HB3 :: 2.439 HG2 :: 2.246 HG3 :: 2.285 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.T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.491 CA :: 64.882 CB :: 68.236 CG2 :: 22.051 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 :: 8.583 HA :: 3.74 HB :: 4.484 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 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 :: 111.357 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.27 C 0.13 L 0.06 Y 0.05 F 0.05 C Shift Assignments>> C :: 176.374 CA :: 52.528 CB :: 39.703 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 :: 8.233 HA :: 4.686 HB2 :: 2.581 HB3 :: 2.905 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 :: 117.327 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.02 C Shift Assignments>> C :: 176.351 CA :: 52.69 CB :: 18.619 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.686 HA :: 4.404 HB1 :: 1.26 HB2 :: 1.26 HB3 :: 1.26 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.055 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 0.62 C 0.36 C Shift Assignments>> C :: 177.094 CA :: 59.12 CB :: 72.261 CG2 :: 21.888 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 :: 8.522 HA :: 4.268 HB :: 4.505 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 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 :: 110.852 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>> L 0.48 C 0.45 R 0.04 C Shift Assignments>> C :: 178.303 CA :: 58.372 CB :: 40.836 CG :: 27.427 CD1 :: 23.769 CD2 :: 25.598 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 :: 8.711 HA :: 3.727 HB2 :: 1.242 HB3 :: 1.425 HG :: 1.133 HD11 :: 0.484 HD12 :: 0.484 HD13 :: 0.484 HD21 :: 0.4 HD22 :: 0.4 HD23 :: 0.4 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 :: 121.08 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.17 Y 0.17 C 0.14 L 0.11 D 0.06 I 0.05 R 0.04 C Shift Assignments>> C :: 177.884 CA :: 58.056 CB :: 41.142 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 :: 7.777 HA :: 4.113 HB2 :: 2.345 HB3 :: 2.567 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 :: 115.58 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 K 0.18 Y 0.16 C 0.14 L 0.12 D 0.07 R 0.04 I 0.04 HN Overlap>> 1.L180 1.S197 1.L180 1.S197 C Shift Assignments>> C :: 179.232 CA :: 57.739 CB :: 41.142 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 :: 7.689 HA :: 4.27 HB2 :: 2.887 HB3 :: 3.078 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 :: 121.112 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 177.396 CA :: 65.396 CB :: 38.068 CG1 :: 28.618 CG2 :: 17.638 CD1 :: 12.571 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 :: 7.734 HA :: 3.383 HB :: 1.416 HG12 :: -0.257(S) HG13 :: 1.043 HG21 :: 0.375 HG22 :: 0.375 HG23 :: 0.375 HD11 :: -0.271 HD12 :: -0.271 HD13 :: -0.271 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 :: 121.869 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.44 R 0.04 M 0.01 C Shift Assignments>> C :: 179.302 CA :: 60.344 CB :: 32.607 CG :: 24.989 CD :: 29.255 CE :: 40.836 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 :: 9.007 HA :: 3.632 HB2 :: 1.586 HB3 :: 1.777 HG2 :: 1.227 HG3 :: 1.327 HD2 :: 1.344 HE2 :: 2.724 HE3 :: 2.823 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 :: 120.33 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.21 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.791 CA :: 59.31 CB :: 29.56 CG :: 36.569 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 :: 8.047 HA :: 4.031 HB2 :: 2.133 HG2 :: 2.263 HG3 :: 2.413 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 :: 118.084 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.W130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.38 H 0.08 C Shift Assignments>> C :: 179.511 CA :: 61.956 CB :: 28.951 CD1 :: 127.379 CZ2 :: 114.988 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.856 HA :: 4.302 HB2 :: 3.631 HB3 :: 3.754 HD1 :: 7.676 HZ2 :: 7.339 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.365 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.2 L 0.18 G 0.13 R 0.04 A 0.01 HN Overlap>> 1.S163 1.S163 C Shift Assignments>> C :: 178.28 CA :: 56.356 CB :: 43.462 CD1 :: 23.359 CD2 :: 27.731 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 :: 8.225 HA :: 3.702 HB2 :: 1.375 HB3 :: 1.819 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 HD21 :: 0.626 HD22 :: 0.626 HD23 :: 0.626 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 :: 116.318 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 I 0.16 K 0.09 Q 0.06 M 0.03 HN Overlap>> 1.F167 1.F167 C Shift Assignments>> C :: 177.118 CA :: 59.879 CB :: 29.662 CG :: 35.655 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 :: 7.462 HA :: 3.995 HB2 :: 1.969 HB3 :: 2.125 HG2 :: 2.215 HG3 :: 2.322 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 :: 119.346 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.22 C 0.12 L 0.12 F 0.08 Y 0.08 K 0.03 C Shift Assignments>> C :: 176.676 CA :: 53.745 CB :: 40.226 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 :: 7.856 HA :: 4.672 HB2 :: 2.569 HB3 :: 2.82 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 :: 114.299 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.16 K 0.14 R 0.12 H 0.12 W 0.09 E 0.07 Q 0.06 V 0.01 C Shift Assignments>> C :: 175.793 CA :: 55.244 CB :: 31.927 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 :: 7.986 HA :: 4.728 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 :: 118.337 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 R 0.26 L 0.25 C 0.1 F 0.03 D 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 171.331 CA :: 44.098 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.607 HA2 :: 3.792 HA3 :: 4.206 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.563 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Q136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.26 K 0.24 E 0.11 R 0.06 M 0.02 I 0.01 HN Overlap>> 1.N7 1.N7 C Shift Assignments>> C :: 174.329 CA :: 56.042 CB :: 28.262 CG :: 34.146 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 :: 8.663 HA :: 4.272 HB2 :: 1.991 HG2 :: 2.237 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 :: 119.58 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 HN Overlap>> 1.V157 1.V157 C Shift Assignments>> C :: 176.281 CA :: 61.204 CB :: 33.522 CG1 :: 21.07 CG2 :: 22.378 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 :: 7.991 HA :: 4.009 HB :: 1.635 HG11 :: 0.282 HG12 :: 0.282 HG13 :: 0.282 HG21 :: 0.301 HG22 :: 0.301 HG23 :: 0.301 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 :: 123.802 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.23 R 0.17 G 0.12 A 0.1 HN Overlap>> 1.E84 1.E84 C Shift Assignments>> C :: 176.397 CA :: 54.227 CB :: 43.58 CG :: 27.445 CD1 :: 26.627 CD2 :: 22.214 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 :: 8.906 HA :: 4.378 HB2 :: 0.988 HB3 :: 1.423 HG :: 1.336 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 HD21 :: 0.843 HD22 :: 0.843 HD23 :: 0.843 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 :: 124.055 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.17 R 0.16 K 0.13 C 0.1 F 0.05 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> C :: 172.028 CA :: 54.471 CB :: 42.504 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 :: 6.878 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 :: 113.29 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.I140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.3 C Shift Assignments>> C :: 173.6 CA :: 60.974 CB :: 41.174 CG1 :: 27.608 CG2 :: 17.674 CD1 :: 14.931 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 :: 8.336 HA :: 4.223 HB :: 1.234 HG12 :: 0.414 HG13 :: 1.273 HG21 :: 0.393 HG22 :: 0.393 HG23 :: 0.393 HD11 :: 0.615 HD12 :: 0.615 HD13 :: 0.615 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 :: 125.064 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.Q141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 C 0.27 Q 0.23 K 0.12 E 0.06 R 0.01 C Shift Assignments>> C :: 175.444 CA :: 53.651 CB :: 30.713 CG :: 33.492 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 :: 9.309 HA :: 4.728 HB2 :: 2.089 HB3 :: 2.259 HG2 :: 2.237 HG3 :: 2.451 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 :: 127.335 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.M142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.18 C 0.17 Q 0.15 R 0.07 W 0.07 H 0.06 E 0.04 V 0.02 C Shift Assignments>> C :: 175.119 CA :: 56.351 CB :: 33.032 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.026 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 126.073 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.R143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.1 W 0.1 F 0.1 C 0.09 E 0.09 S 0.08 R 0.07 K 0.06 Q 0.06 H 0.05 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 176.048 CA :: 57.928 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 :: 8.345 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 :: 126.326 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.R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.2 Q 0.2 E 0.17 R 0.02 M 0.01 I 0.01 C Shift Assignments>> CA :: 54.409 CB :: 35.163 CG :: 28.037 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 :: 8.831 HA :: 5.618 HG2 :: 1.432 HG3 :: 1.66 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 :: 122.33 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.T145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.33 T 0.31 L 0.15 M 0.07 C 0.04 A 0.04 K 0.02 I 0.01 C Shift Assignments>> CG2 :: 22.214 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 :: 8.958 HG21 :: 1.282 HG22 :: 1.282 HG23 :: 1.282 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 :: 111.502 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.15 K 0.15 H 0.13 R 0.13 C 0.11 W 0.09 L 0.08 E 0.08 M 0.02 I 0.01 C Shift Assignments>> C :: 173.724 CA :: 55.37 CB :: 28.341 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>> HB2 :: 2.961 HB3 :: 3.477 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) FLAG polypeptide(L) 1.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.27 L 0.13 K 0.11 M 0.01 C Shift Assignments>> C :: 174.979 CA :: 58.151 CB :: 28.927 CG :: 25.294 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 :: 8.064 HA :: 3.717 HG2 :: 1.314 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 :: 112.33 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.15 C 0.02 C Shift Assignments>> C :: 177.536 CA :: 51.824 CB :: 19.272 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.566 HA :: 4.485 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.83 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.F150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.22 F 0.16 N 0.12 D 0.09 E 0.07 I 0.04 L 0.03 M 0.01 C Shift Assignments>> CA :: 56.051 CB :: 38.399 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 :: 9.215 HA :: 4.967 HB2 :: 3.206 HB3 :: 3.455 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 :: 123.08 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.K151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.G152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 171.354 CA :: 46.214 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) FLAG polypeptide(L) 1.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.02 C 0.01 C Shift Assignments>> C :: 172.586 CA :: 54.148 CB :: 65.940 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.791 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 :: 111.58 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.I154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.3 A 0.04 G 0.01 C Shift Assignments>> C :: 173.957 CA :: 58.285 CB :: 41.752 CG1 :: 28.341 CG2 :: 18.782 CD1 :: 15.513 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 :: 8.705 HA :: 5.326 HB :: 1.684 HG12 :: 1.425 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 HD11 :: 0.47 HD12 :: 0.47 HD13 :: 0.47 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 :: 111.357 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.F155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.21 K 0.15 D 0.11 C 0.1 F 0.06 Y 0.05 G 0.01 N 0.01 C Shift Assignments>> C :: 175.932 CA :: 55.676 CB :: 42.666 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 :: 8.308 HA :: 6.084 HB2 :: 2.846 HB3 :: 3.106 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 :: 114.58 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.V156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.31 C Shift Assignments>> C :: 173.887 CA :: 59.318 CB :: 35.29 CG1 :: 22.705 CG2 :: 22.378 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 :: 9.655 HA :: 4.934 HB :: 1.657 HG11 :: 0.421 HG12 :: 0.421 HG13 :: 0.421 HG21 :: 0.59 HG22 :: 0.59 HG23 :: 0.59 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 :: 120.103 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.V157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.37 HN Overlap>> 1.V137 1.V137 C Shift Assignments>> C :: 176.281 CA :: 61.264 CB :: 33.826 CG1 :: 20.112 CG2 :: 21.636 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 :: 7.93 HA :: 4.618 HB :: 1.325 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 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 :: 123.802 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.F158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 F 0.32 G 0.08 Y 0.02 C Shift Assignments>> C :: 175.584 CA :: 58.773 CB :: 42.666 CD1 :: 129.017 CE1 :: 129.017 CZ :: 127.684 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 :: 8.839 HA :: 4.937 HB2 :: 3.057 HB3 :: 3.436 HD1 :: 7.113 HE1 :: 6.629 HZ :: 5.536 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 :: 126.073 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.D159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 F 0.17 Y 0.15 C 0.14 L 0.14 K 0.1 N 0.05 I 0.02 R 0.01 C Shift Assignments>> C :: 175.398 CA :: 56.191 CB :: 40.531 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 :: 8.717 HA :: 4.186 HB2 :: 2.55 HB3 :: 2.841 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 :: 118.589 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 174.063 CA :: 56.294 CB :: 66.499 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.869 HA :: 4.835 HB2 :: 3.927 HB3 :: 4.27 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 :: 111.609 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.I161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 177.536 CA :: 64.686 CB :: 38.068 CG1 :: 29.255 CG2 :: 17.311 CD1 :: 14.206 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 :: 9.218 HA :: 3.845 HB :: 1.852 HG12 :: 1.105 HG13 :: 1.648 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 HD11 :: 0.941 HD12 :: 0.941 HD13 :: 0.941 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 :: 124.055 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 C 0.31 E 0.21 K 0.03 C Shift Assignments>> C :: 177.559 CA :: 60.598 CB :: 28.752 CG :: 36.924 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 :: 8.734 HA :: 3.975 HB2 :: 1.928 HB3 :: 2.082 HG2 :: 2.276 HG3 :: 2.382 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 :: 120.608 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L131 1.L131 C Shift Assignments>> C :: 176.537 CA :: 61.123 CB :: 62.789 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.214 HA :: 4.122 HB2 :: 3.883 HB3 :: 4.062 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 :: 116.318 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.38 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 177.722 CA :: 55.174 CB :: 18.619 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.688 HA :: 2.992 HB1 :: 1.531 HB2 :: 1.531 HB3 :: 1.531 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.316 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.38 M 0.02 HN Overlap>> 1.E22 1.E22 C Shift Assignments>> C :: 177.745 CA :: 60.344 CB :: 33.217 CG :: 25.598 CD :: 30.169 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 :: 8.923 HA :: 3.984 HB2 :: 1.912 HB3 :: 1.968 HG2 :: 1.454 HG3 :: 1.646 HD2 :: 1.665 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 :: 117.327 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.K166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.02 HN Overlap>> 1.E194 1.V195 1.E194 1.V195 C Shift Assignments>> C :: 178.582 CA :: 58.965 CB :: 32.303 CG :: 24.988 CD :: 29.255 CE :: 42.055 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 :: 7.816 HA :: 3.924 HB2 :: 1.785 HB3 :: 1.814 HG2 :: 1.359 HG3 :: 1.464 HD2 :: 1.653 HE2 :: 2.943 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 :: 117.327 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.F167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 F 0.22 Y 0.19 C 0.16 HN Overlap>> 1.E132 1.E132 C Shift Assignments>> C :: 176.978 CA :: 61.445 CB :: 39.618 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 :: 7.444 HA :: 4.127 HB2 :: 2.734 HB3 :: 2.842 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 :: 119.346 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.V168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.791 CA :: 65.977 CB :: 31.858 CG1 :: 24.012 CG2 :: 21.397 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 :: 8.358 HA :: 3.167 HB :: 1.727 HG11 :: 0.285 HG12 :: 0.285 HG13 :: 0.285 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 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 :: 118.841 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.38 I 0.1 K 0.07 M 0.03 Q 0.01 C Shift Assignments>> C :: 176.629 CA :: 56.643 CB :: 29.255 CG :: 36.924 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 :: 8.086 HA :: 4.099 HB2 :: 1.972 HB3 :: 2.147 HG2 :: 2.312 HG3 :: 2.52 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 :: 115.309 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.T170 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>> CA :: 61.489 CB :: 69.578 CG2 :: 19.763 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 :: 7.246 HA :: 4.415 HB :: 4.163 HG21 :: 1.096 HG22 :: 1.096 HG23 :: 1.096 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 :: 120.355 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.P171 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 :: 177.606 CA :: 62.465 CB :: 32.675 CG :: 26.817 CD :: 50.788 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 :: 4.594 HB2 :: 1.935 HB3 :: 2.224 HG2 :: 1.955 HG3 :: 1.991 HD2 :: 3.737 HD3 :: 4.113 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.G172 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 C Shift Assignments>> C :: 175.537 CA :: 47.161 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.679 HA2 :: 3.749 HA3 :: 3.842 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.572 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Q173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 E 0.19 M 0.13 K 0.12 Q 0.12 Y 0.04 V 0.03 W 0.02 I 0.02 H 0.01 R 0.01 F 0.01 C Shift Assignments>> C :: 175.886 CA :: 57.58 CG :: 34.963 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 :: 8.566 HA :: 4.354 HG2 :: 1.908 HG3 :: 2.172 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 :: 119.08 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.K174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.43 M 0.06 HN Overlap>> 1.I82 1.I82 C Shift Assignments>> C :: 178.442 CA :: 55.133 CB :: 32.4 CG :: 24.989 CD :: 29.865 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 :: 8.693 HA :: 4.931 HB2 :: 1.382 HB3 :: 1.466 HG2 :: 1.163 HG3 :: 1.289 HD2 :: 1.375 HD3 :: 1.466 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 :: 122.08 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Y175 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.58 C 0.41 HN Overlap>> 1.K9 1.K9 C Shift Assignments>> CA :: 57.118 CB :: 40.228 CD1 :: 132.56 CE1 :: 116.512 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 :: 8.206 HA :: 4.363 HB2 :: 1.593(S) HB3 :: 2.273 HD1 :: 6.441 HE1 :: 6.644 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 :: 121.112 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.K176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.23 M 0.02 G 0.01 C Shift Assignments>> C :: 175.979 CA :: 58.448 CB :: 32.085 CG :: 25.32 CD :: 29.56 CE :: 42.318 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 :: 9.237 HA :: 3.528 HG2 :: 0.521 HG3 :: 0.885 HD2 :: 1.417 HD3 :: 1.498 HE2 :: 2.786 HE3 :: 2.832 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 :: 127.083 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 K 0.12 I 0.09 Q 0.05 M 0.02 C Shift Assignments>> C :: 176.048 CA :: 57.106 CB :: 28.95 CG :: 36.265 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 :: 8.396 HA :: 4.068 HB2 :: 2.069 HB3 :: 2.236 HG2 :: 2.125 HG3 :: 2.216 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 :: 115.296 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.T178 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 :: 173.283 CA :: 62.474 CB :: 70.13 CG2 :: 21.724 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 :: 8.351 HA :: 4.302 HB :: 4.142 HG21 :: 1.215 HG22 :: 1.215 HG23 :: 1.215 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 :: 119.598 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 K 0.19 D 0.17 F 0.11 C 0.11 Y 0.09 R 0.06 N 0.03 C Shift Assignments>> C :: 174.979 CA :: 55.764 CB :: 41.446 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 :: 8.523 HA :: 4.396 HB2 :: 2.427 HB3 :: 2.549 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 :: 126.326 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L180 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.46 G 0.25 C 0.18 R 0.08 L 0.01 HN Overlap>> 1.D126 1.D126 C Shift Assignments>> C :: 176.095 CA :: 53.081 CB :: 44.116 CG :: 25.81 CD1 :: 20.417 CD2 :: 27.608 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 :: 7.618 HA :: 4.562 HB2 :: 0.765 HB3 :: 1.236 HG :: 1.227 HD11 :: -0.396(S) HD12 :: -0.396(S) HD13 :: -0.396(S) HD21 :: 0.023 HD22 :: 0.023 HD23 :: 0.023 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 :: 121.112 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.L181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.25 R 0.21 G 0.13 A 0.01 C Shift Assignments>> C :: 174.445 CA :: 54.48 CB :: 43.625 CG :: 27.935 CD1 :: 23.685 CD2 :: 26.137 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 :: 8.386 HA :: 5.045 HB2 :: 1.458 HB3 :: 1.698 HG :: 1.507 HD11 :: 0.976 HD12 :: 0.976 HD13 :: 0.976 HD21 :: 1.007 HD22 :: 1.007 HD23 :: 1.007 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 :: 125.569 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.46 C Shift Assignments>> C :: 174.84 CA :: 60.644 CB :: 40.683 CG1 :: 28.646 CG2 :: 20.253 CD1 :: 14.86 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 :: 8.439 HA :: 5.029 HB :: 1.662 HG12 :: 0.917 HG13 :: 1.342 HG21 :: 0.732 HG22 :: 0.732 HG23 :: 0.732 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 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 :: 127.587 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.L183 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 A 0.07 G 0.04 L 0.03 C Shift Assignments>> C :: 177.21 CA :: 53.157 CB :: 48.856(S) CG :: 27.118 CD1 :: 26.464 CD2 :: 24.012 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 :: 9.236 HA :: 5.036 HB2 :: 1.66 HB3 :: 1.945 HG :: 1.676 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 HD21 :: 1.081 HD22 :: 1.081 HD23 :: 1.081 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 :: 126.073 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.F184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.27 C 0.27 C Shift Assignments>> C :: 177.884 CA :: 62.632 CB :: 38.398 CD1 :: 131.036 CZ :: 127.684 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 :: 9.816 HA :: 4.686 HB2 :: 3.043 HB3 :: 3.789 HD1 :: 7.664 HZ :: 6.979 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 :: 121.365 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.K185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 Q 0.12 M 0.1 E 0.09 K 0.09 I 0.05 R 0.01 C Shift Assignments>> C :: 177.35 CA :: 61.527 CB :: 33.523 CD :: 30.78 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 :: 9.165 HA :: 3.912 HB2 :: 1.495 HB3 :: 1.944 HD2 :: 1.121 HD3 :: 1.487 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 :: 125.064 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 K 0.18 Y 0.15 L 0.14 C 0.13 D 0.09 R 0.04 I 0.03 N 0.01 C Shift Assignments>> C :: 178.582 CA :: 57.343 CB :: 41.141 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 :: 9.686 HA :: 4.617 HB2 :: 2.599 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 :: 116.57 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.17 F 0.14 C 0.12 D 0.11 Y 0.11 R 0.07 I 0.01 N 0.01 C Shift Assignments>> C :: 177.908 CA :: 56.712 CB :: 41.446 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 :: 7.209 HA :: 4.631 HB2 :: 2.849 HB3 :: 2.991 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 :: 119.346 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.Y188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Y 0.47 C Shift Assignments>> C :: 176.583 CA :: 61.031 CB :: 36.875 CD1 :: 131.341 CE1 :: 116.512 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 :: 8.122 HA :: 3.796 HB2 :: 2.503 HB3 :: 3.041 HD1 :: 5.983 HE1 :: 6.29 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 :: 120.86 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.F189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 Y 0.21 C 0.19 F 0.18 E 0.03 C Shift Assignments>> C :: 177.838 CA :: 60.652 CB :: 38.395 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 :: 7.911 HA :: 3.791 HB2 :: 3.022 HB3 :: 3.156 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 :: 116.57 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.A190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 178.837 CA :: 54.107 CB :: 18.782 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.613 HA :: 4.186 HB1 :: 1.539 HB2 :: 1.539 HB3 :: 1.539 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.608 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.45 M 0.03 C Shift Assignments>> C :: 177.118 CA :: 55.686 CB :: 33.217 CG :: 24.988 CD :: 29.255 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 :: 7.549 HA :: 4.394 HB2 :: 1.561 HB3 :: 1.917 HG2 :: 1.386 HG3 :: 1.437 HD2 :: 1.574 HD3 :: 1.587 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 :: 117.327 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.K192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.33 V 0.12 M 0.06 R 0.05 Q 0.01 C Shift Assignments>> C :: 176.699 CA :: 58.803 CB :: 32.607 CG :: 24.012 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 :: 7.414 HA :: 3.635 HB2 :: 1.456 HB3 :: 1.536 HG2 :: 1.147 HG3 :: 1.207 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 :: 122.122 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.2 D 0.14 Y 0.13 F 0.1 E 0.04 L 0.03 M 0.01 I 0.01 HN Overlap>> 1.V69 1.V69 C Shift Assignments>> C :: 175.723 CA :: 54.439 CB :: 38.398 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 :: 8.375 HA :: 4.474 HB2 :: 2.674 HB3 :: 2.753 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 :: 116.57 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.E194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.13 K 0.05 I 0.05 Q 0.03 HN Overlap>> 1.V195 1.K166 1.V108 1.V195 1.K166 1.V108 C Shift Assignments>> C :: 177.21 CA :: 57.185 CB :: 30.779 CG :: 36.265 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 :: 7.875 HA :: 4.284 HB2 :: 1.974 HB3 :: 2.055 HG2 :: 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 :: 117.327 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.45 P 0.3 C 0.13 W 0.02 I 0.02 K 0.01 HN Overlap>> 1.E194 1.E194 1.K166 1.V108 1.K166 1.V108 C Shift Assignments>> C :: 177.559 CA :: 62.789 CB :: 33.217 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 :: 7.875 HA :: 4.149 HB :: 2.115 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 :: 117.327 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.23 K 0.15 C 0.1 R 0.07 F 0.06 N 0.06 Y 0.05 HN Overlap>> 1.E99 1.E99 C Shift Assignments>> C :: 173.887 CA :: 54.186 CB :: 41.75 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 :: 8.262 HA :: 4.806 HB2 :: 2.605 HB3 :: 2.783 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 :: 122.288 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.D126 1.D126 C Shift Assignments>> CA :: 60.093 CB :: 64.842 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.762 HA :: 4.194 HB2 :: 3.838 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 :: 121.112 Ave N Shift Values>> N :: 116.3(3.95) FLAG polyribonucleotide 2.U1 Overall Status: Residue type U not supported. FLAG polyribonucleotide 2.U2 Overall Status: Residue type U not supported. FLAG polyribonucleotide 2.U3 Overall Status: Residue type U not supported. FLAG polyribonucleotide 2.U4 Overall Status: Residue type U not supported. ########################################################################### Overall Results: #Consistent: 189 #Clerical: 0 #Suspicious: 7 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 192 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 196 #Suspicious: 1 C Shift Results: #Consistent: 767 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1105 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 1 N Shift Results: #Consistent: 180 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R32 HD2 = 2.069(S), Expected = 3.13, Std = 0.2300, ChiSquare = 3.9682e-06 1.L49 HB2 = 0.344(S), Expected = 1.63, Std = 0.3400, ChiSquare = 1.5535e-04 1.L49 HB3 = 0.343(S), Expected = 1.57, Std = 0.3600, ChiSquare = 6.5361e-04 1.S83 HB2 = 2.265(S), Expected = 3.88, Std = 0.2900, ChiSquare = 2.5626e-08 1.R90 HG2 = -0.119(S), Expected = 1.58, Std = 0.2700, ChiSquare = 3.1221e-10 1.R90 HG3 = 0.401(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.2616e-05 1.R90 HD2 = 0.235(A), Expected = 3.13, Std = 0.2300, ChiSquare = 2.4909e-36 1.R90 HD3 = 2.096(S), Expected = 3.13, Std = 0.2200, ChiSquare = 2.6016e-06 1.R90 SRO Rule Break>> HD2 > HB2 : 0.994969040247678 1.R90 SRO Rule Break>> HD2 > HB3 : 0.995112016293279 1.R90 SRO Rule Break>> HD2 > HG3 : 0.998289867464728 1.I127 HG12 = -0.257(S), Expected = 1.30, Std = 0.4000, ChiSquare = 9.9216e-05 1.Y175 HB2 = 1.593(S), Expected = 2.91, Std = 0.3700, ChiSquare = 3.7162e-04 1.L180 HD11 = -0.396(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5708e-05 1.L180 HD12 = -0.396(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5708e-05 1.L180 HD13 = -0.396(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5708e-05 1.L183 CB = 48.856(S), Expected = 42.37, Std = 1.8600, ChiSquare = 4.8829e-04