Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.41 L 0.29 G 0.07 D 0.05 K 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.324 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.966 HA3 :: 3.966 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.499 CA :: 62.941 CB :: 32.276 CG :: 26.942 CD :: 49.570 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 :: 4.422 HB2 :: 1.826 HB3 :: 2.248 HG2 :: 1.903 HG3 :: 1.977 HD2 :: 3.513 HD3 :: 3.540 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.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 W 0.48 C Shift Assignments>> C :: 174.593 CA :: 55.598 CB :: 29.774 CD2 :: 119.596 CE1 :: 137.312 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 :: 8.582 HA :: 4.664 HB2 :: 3.115 HB3 :: 3.166 HD2 :: 7.148 HE1 :: 8.243 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 :: 119.507 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 A 0.21 HN Overlap>> 1.N70 1.N70 C Shift Assignments>> C :: 175.846 CA :: 55.597 CB :: 33.053 CG :: 31.779 CE :: 16.936 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 :: 8.346 HA :: 4.109 HB2 :: 1.841 HB3 :: 1.879 HG2 :: 2.301 HG3 :: 2.355 HE1 :: 1.971 HE2 :: 1.971 HE3 :: 1.971 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 :: 121.986 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.049 CA :: 61.520 CB :: 70.177 CG2 :: 22.118 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 :: 7.807 HA :: 4.360 HB :: 4.262 HG21 :: 1.198 HG22 :: 1.198 HG23 :: 1.198 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.038 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.13 I 0.11 K 0.11 Q 0.05 C Shift Assignments>> CA :: 57.343 CB :: 30.239 CG :: 36.376 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 :: 8.562 HA :: 4.066 HB2 :: 1.891 HB3 :: 1.960 HG2 :: 2.164 HG3 :: 2.164 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 :: 122.775 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.33 N 0.32 L 0.1 Y 0.09 F 0.09 K 0.02 C Shift Assignments>> CA :: 53.656 CB :: 39.853 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 :: 7.899 HA :: 4.192 HB2 :: 2.242 HB3 :: 2.242 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) FLAG polypeptide(L) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 F 0.42 C Shift Assignments>> C :: 176.420 CA :: 59.462 CB :: 37.800 CD1 :: 131.186 CE1 :: 132.107 CZ :: 129.608 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 :: 7.999 HA :: 4.242 HB2 :: 3.144 HB3 :: 3.144 HD1 :: 7.087 HD2 :: 7.087 HE1 :: 7.299 HE2 :: 7.299 HZ :: 7.211 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 :: 116.782 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.468 CA :: 60.819 CB :: 62.793 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.158 HA :: 3.903 HB2 :: 3.707 HB3 :: 3.868 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.010 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.54 W 0.45 C Shift Assignments>> C :: 175.014 CA :: 55.955 CB :: 29.393 CD2 :: 118.871 CE1 :: 137.692 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 :: 8.180 HA :: 4.650 HB2 :: 3.167 HB3 :: 3.167 HD2 :: 7.128 HE1 :: 8.104 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.337 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 A 0.25 R 0.02 G 0.01 C Shift Assignments>> CA :: 52.504 CB :: 41.709 CG :: 26.241 CD1 :: 26.175 CD2 :: 22.203 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 :: 7.338 HA :: 4.562 HB2 :: 1.267 HB3 :: 1.630 HG :: 1.222 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.834 HD22 :: 0.834 HD23 :: 0.834 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.137 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.693 CB :: 30.993 CG :: 28.228 CD :: 50.214 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 :: 4.749 HB2 :: 1.972 HB3 :: 2.571 HG2 :: 2.092 HG3 :: 2.149 HD2 :: 3.466 HD3 :: 3.923 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.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.977 CA :: 66.451 CB :: 32.389 CG :: 27.644 CD :: 50.323 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 :: 4.232 HB2 :: 2.025 HB3 :: 2.314 HG2 :: 2.021 HG3 :: 2.203 HD2 :: 3.828 HD3 :: 3.913 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.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 I 0.4 K 0.11 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.165 CA :: 59.834 CB :: 28.722 CG :: 36.254 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 :: 9.480 HA :: 4.084 HB2 :: 2.024 HB3 :: 2.102 HG2 :: 2.361 HG3 :: 2.361 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 :: 116.954 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.71 E 0.28 C Shift Assignments>> C :: 178.149 CA :: 58.123 CB :: 29.317 CG :: 34.151 CD :: 179.000 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 :: 7.375 HA :: 4.168 HB2 :: 2.017 HB3 :: 2.165 HG2 :: 2.492 HG3 :: 2.492 HE21 :: 6.917 HE22 :: 7.638 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 :: 118.171 NE2 :: 111.708 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.84 E 0.15 HN Overlap>> 1.L24 1.L24 C Shift Assignments>> C :: 177.694 CA :: 59.750 CB :: 27.991 CG :: 33.765 CD :: 178.691 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 :: 8.492 HA :: 3.730 HB2 :: 2.045 HB3 :: 2.073 HG2 :: 1.873 HG3 :: 2.387 HE21 :: 6.752 HE22 :: 7.350 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 :: 120.679 NE2 :: 110.930 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.R17 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.97 D 0.02 HN Overlap>> 1.E39 1.E39 C Shift Assignments>> C :: 177.317 CA :: 60.339 CB :: 29.996 CG :: 27.386 CD :: 43.584 CZ :: 175.760(A) 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 :: 8.264 HA :: 3.772 HB2 :: 1.815 HB3 :: 1.940 HG2 :: 1.550 HG3 :: 1.708 HD2 :: 3.138 HD3 :: 3.258 HE :: 7.809 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 :: 116.736 NE :: 108.360 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.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.27 M 0.02 G 0.01 C Shift Assignments>> C :: 179.232 CA :: 59.414 CB :: 32.514 CG :: 25.061 CD :: 29.177 CE :: 42.048 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 :: 7.395 HA :: 4.092 HB2 :: 1.898 HB3 :: 1.898 HG2 :: 1.453 HG3 :: 1.596 HD2 :: 1.715 HD3 :: 1.715 HE2 :: 2.984 HE3 :: 2.984 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 :: 117.410 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.R19 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.74 N 0.12 G 0.12 C Shift Assignments>> C :: 179.375 CA :: 58.089 CB :: 28.686 CG :: 26.718 CD :: 41.981 CZ :: 175.466(A) 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 :: 8.009 HA :: 4.057 HB2 :: 1.577 HB3 :: 1.577 HG2 :: 1.408 HG3 :: 1.523 HD2 :: 3.029 HD3 :: 3.029 HE :: 7.238 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 :: 118.178 NE :: 108.850 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.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 R 0.3 G 0.11 K 0.01 C Shift Assignments>> C :: 178.617 CA :: 58.151 CB :: 43.242 CG :: 27.274 CD1 :: 26.538 CD2 :: 24.110 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 :: 8.433 HA :: 4.124 HB2 :: 1.424 HB3 :: 2.218 HG :: 1.954 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 1.206 HD22 :: 1.206 HD23 :: 1.206 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.659 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.74 E 0.25 C Shift Assignments>> C :: 178.465 CA :: 59.492 CB :: 28.170 CG :: 34.011 CD :: 179.553 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 :: 8.481 HA :: 3.954 HB2 :: 2.132 HB3 :: 2.362 HG2 :: 2.398 HG3 :: 2.540 HE21 :: 6.746 HE22 :: 7.670 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 :: 118.686 NE2 :: 111.277 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.71 E 0.28 HN Overlap>> 1.K33 1.K33 C Shift Assignments>> C :: 178.860 CA :: 59.078 CB :: 28.220 CG :: 33.737 CD :: 180.171 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 :: 7.891 HA :: 4.110 HB2 :: 2.174 HB3 :: 2.262 HG2 :: 2.383 HG3 :: 2.596 HE21 :: 6.819 HE22 :: 7.637 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 :: 118.620 NE2 :: 111.614 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.71 E 0.28 C Shift Assignments>> C :: 178.096 CA :: 58.443 CB :: 28.622 CG :: 34.107 CD :: 179.366 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 :: 8.019 HA :: 3.949 HB2 :: 1.473 HB3 :: 1.850 HG2 :: 2.432 HG3 :: 2.432 HE21 :: 7.019 HE22 :: 7.282 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 :: 118.420 NE2 :: 111.922 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 R 0.3 K 0.07 G 0.01 HN Overlap>> 1.Q16 1.L68 1.Q16 1.L68 C Shift Assignments>> C :: 179.103 CA :: 58.594 CB :: 41.701 CG :: 27.523 CD1 :: 26.947 CD2 :: 24.870 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 :: 8.501 HA :: 3.889 HB2 :: 1.550 HB3 :: 2.134 HG :: 1.639 HD11 :: 1.006 HD12 :: 1.006 HD13 :: 1.006 HD21 :: 1.129 HD22 :: 1.129 HD23 :: 1.129 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 :: 120.710 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.38 K 0.09 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.188 CA :: 59.795 CB :: 29.142 CG :: 36.376 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 :: 8.283 HA :: 4.015 HB2 :: 2.120 HB3 :: 2.219 HG2 :: 2.296 HG3 :: 2.501 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 :: 120.466 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.34 K 0.09 Q 0.03 M 0.03 C Shift Assignments>> C :: 179.685 CA :: 59.883 CB :: 29.570 CG :: 36.236 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 :: 8.048 HA :: 4.042 HB2 :: 2.144 HB3 :: 2.144 HG2 :: 2.292 HG3 :: 2.471 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 :: 119.298 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.R27 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.7 G 0.19 N 0.09 C Shift Assignments>> C :: 178.603 CA :: 57.813 CB :: 30.238 CG :: 27.374 CD :: 42.401 CZ :: 175.869(A) 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 :: 8.544 HA :: 4.238 HB2 :: 1.842 HB3 :: 2.044 HG2 :: 1.658 HG3 :: 1.999 HD2 :: 3.175 HD3 :: 3.324 HE :: 7.933 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 :: 118.441 NE :: 109.594 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.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.135 CA :: 62.572 CB :: 62.559 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.733 HA :: 4.132 HB2 :: 3.943 HB3 :: 4.114 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 :: 115.082 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.R29 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.94 D 0.05 C Shift Assignments>> C :: 179.230 CA :: 59.593 CB :: 30.105 CG :: 27.892 CD :: 43.539 CZ :: 175.583(A) 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 :: 8.123 HA :: 4.172 HB2 :: 1.970 HB3 :: 2.062 HG2 :: 1.660 HG3 :: 1.867 HD2 :: 3.268 HD3 :: 3.268 HE :: 7.472 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.677 NE :: 109.329 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.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.34 K 0.09 M 0.03 Q 0.03 C Shift Assignments>> C :: 178.892 CA :: 59.635 CB :: 29.518 CG :: 36.385 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 :: 8.033 HA :: 4.012 HB2 :: 2.142 HB3 :: 2.335 HG2 :: 2.329 HG3 :: 2.532 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 :: 121.614 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.16 K 0.06 HN Overlap>> 1.W84 1.W84 C Shift Assignments>> C :: 177.421 CA :: 58.363 CB :: 41.069 CG :: 27.263 CD1 :: 27.005 CD2 :: 24.734 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 :: 8.539 HA :: 4.076 HB2 :: 1.473 HB3 :: 2.190 HG :: 1.676 HD11 :: 0.951 HD12 :: 0.951 HD13 :: 0.951 HD21 :: 1.054 HD22 :: 1.054 HD23 :: 1.054 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 :: 120.561 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.72 E 0.27 C Shift Assignments>> C :: 177.595 CA :: 58.477 CB :: 28.034 CG :: 33.605 CD :: 180.371 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 :: 7.963 HA :: 3.902 HB2 :: 2.176 HB3 :: 2.249 HG2 :: 2.439 HG3 :: 2.439 HE21 :: 6.867 HE22 :: 7.777 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 :: 117.700 NE2 :: 115.455 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.28 M 0.03 G 0.01 HN Overlap>> 1.Q22 1.Q22 C Shift Assignments>> C :: 179.741 CA :: 59.558 CB :: 32.044 CG :: 24.879 CD :: 29.387 CE :: 42.087 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 :: 7.873 HA :: 4.177 HB2 :: 2.016 HB3 :: 2.078 HG2 :: 1.484 HG3 :: 1.655 HD2 :: 1.720 HD3 :: 1.720 HE2 :: 2.997 HE3 :: 2.997 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 :: 118.516 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.18 K 0.13 Q 0.08 M 0.07 C Shift Assignments>> C :: 178.954 CA :: 58.824 CB :: 29.881 CG :: 35.987 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 :: 7.980 HA :: 4.268 HB2 :: 2.063 HB3 :: 2.244 HG2 :: 2.249 HG3 :: 2.471 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 :: 120.744 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.485 CA :: 67.450 CB :: 31.422 CG1 :: 21.197 CG2 :: 22.824 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 :: 8.623 HA :: 3.522 HB :: 2.248 HG11 :: 0.994 HG12 :: 0.994 HG13 :: 0.994 HG21 :: 1.054 HG22 :: 1.054 HG23 :: 1.054 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.082 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.31 D 0.1 I 0.09 L 0.08 K 0.03 N 0.03 E 0.01 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 179.896 CA :: 57.489 CB :: 39.694 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 :: 8.606 HA :: 4.410 HB2 :: 2.657 HB3 :: 2.917 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.105 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.79 E 0.2 C Shift Assignments>> C :: 177.622 CA :: 58.638 CB :: 28.205 CG :: 33.321 CD :: 179.995 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 :: 8.151 HA :: 4.348 HB2 :: 2.278 HB3 :: 2.278 HG2 :: 2.378 HG3 :: 2.532 HE21 :: 6.862 HE22 :: 7.301 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.443 NE2 :: 111.036 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.17 K 0.12 L 0.02 C Shift Assignments>> C :: 178.485 CA :: 60.415 CB :: 29.661 CG :: 26.727 CD :: 43.366 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 :: 8.823 HA :: 3.863 HB2 :: 1.879 HB3 :: 2.559 HG2 :: 1.423 HG3 :: 1.694 HD2 :: 2.961 HD3 :: 3.309 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 :: 121.940 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.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.29 K 0.12 Q 0.03 M 0.02 HN Overlap>> 1.R17 1.R17 C Shift Assignments>> C :: 179.110 CA :: 58.706 CB :: 29.080 CG :: 36.520 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 :: 8.236 HA :: 4.041 HB2 :: 2.163 HB3 :: 2.163 HG2 :: 2.490 HG3 :: 2.552 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 :: 116.682 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.33 I 0.04 C Shift Assignments>> C :: 181.324 CA :: 55.347 CB :: 17.967 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.254 HA :: 4.156 HB1 :: 1.550 HB2 :: 1.550 HB3 :: 1.550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.568 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 R 0.31 G 0.1 HN Overlap>> 1.D36 1.D36 C Shift Assignments>> C :: 179.023 CA :: 57.881 CB :: 43.179 CG :: 27.092 CD1 :: 26.900 CD2 :: 23.083 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 :: 8.670 HA :: 4.056 HB2 :: 1.242 HB3 :: 2.040 HG :: 1.910 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 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 :: 120.043 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.26 M 0.02 C Shift Assignments>> C :: 179.192 CA :: 60.020 CB :: 32.106 CG :: 25.423 CD :: 29.494 CE :: 41.691 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 :: 8.187 HA :: 3.841 HB2 :: 1.891 HB3 :: 1.973 HG2 :: 1.442 HG3 :: 1.700 HD2 :: 1.635 HD3 :: 1.722 HE2 :: 2.918 HE3 :: 3.002 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 :: 119.035 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.31 M 0.02 G 0.01 HN Overlap>> 1.M44 1.R73 1.M44 1.R73 C Shift Assignments>> C :: 179.031 CA :: 59.301 CB :: 32.201 CG :: 25.308 CD :: 29.251 CE :: 42.153 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 :: 7.814 HA :: 4.120 HB2 :: 1.924 HB3 :: 1.924 HG2 :: 1.448 HG3 :: 1.627 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 2.980 HE3 :: 2.980 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 :: 119.002 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.95 A 0.04 HN Overlap>> 1.K43 1.K43 1.R73 1.R73 C Shift Assignments>> C :: 176.759 CA :: 57.712 CB :: 32.250 CG :: 31.672 CE :: 16.644 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 :: 7.805 HA :: 3.967 HB2 :: 1.794 HB3 :: 2.020 HG2 :: 2.205 HG3 :: 2.268 HE1 :: 2.034 HE2 :: 2.034 HE3 :: 2.034 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 :: 118.988 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.31 M 0.02 G 0.01 C Shift Assignments>> C :: 177.611 CA :: 60.786 CB :: 32.344 CG :: 25.500 CD :: 30.017 CE :: 41.810 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 :: 8.282 HA :: 3.551 HB2 :: 1.702 HB3 :: 2.038 HG2 :: 1.487 HG3 :: 1.523 HD2 :: 1.576 HD3 :: 1.613 HE2 :: 2.957 HE3 :: 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 :: 119.823 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.2 Y 0.19 L 0.15 D 0.1 R 0.04 I 0.04 N 0.01 C Shift Assignments>> C :: 178.640 CA :: 57.493 CB :: 41.059 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 :: 7.624 HA :: 4.395 HB2 :: 2.735 HB3 :: 2.813 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 :: 117.432 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.981 CA :: 66.671 CB :: 31.387 CG1 :: 21.580 CG2 :: 22.723 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 :: 7.748 HA :: 3.683 HB :: 2.279 HG11 :: 1.032 HG12 :: 1.032 HG13 :: 1.032 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 :: 119.830 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.88 H 0.1 C Shift Assignments>> C :: 177.613 CA :: 57.515 CB :: 36.365 CD1 :: 130.419 CE1 :: 117.697 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 :: 8.454 HA :: 4.409 HB2 :: 3.017 HB3 :: 3.017 HD1 :: 6.632 HD2 :: 6.632 HE1 :: 6.610 HE2 :: 6.610 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 :: 120.201 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.37 K 0.04 M 0.04 HN Overlap>> 1.M54 1.M54 C Shift Assignments>> C :: 178.728 CA :: 59.219 CB :: 29.932 CG :: 37.142 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 :: 8.401 HA :: 4.041 HB2 :: 2.092 HB3 :: 2.280 HG2 :: 2.285 HG3 :: 2.595 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 :: 116.961 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.38 G 0.01 M 0.01 HN Overlap>> 1.Q79 1.Q79 C Shift Assignments>> C :: 177.383 CA :: 57.834 CB :: 33.591 CG :: 25.689 CD :: 28.930 CE :: 42.303 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 :: 7.658 HA :: 4.297 HB2 :: 1.973 HB3 :: 2.014 HG2 :: 1.557 HG3 :: 1.637 HD2 :: 1.699 HD3 :: 1.699 HE2 :: 3.017 HE3 :: 3.017 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 :: 116.817 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C Shift Assignments>> CA :: 58.863 CB :: 69.208 CG2 :: 22.551 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 :: 8.116 HA :: 4.734 HB :: 4.295 HG21 :: 1.273 HG22 :: 1.273 HG23 :: 1.273 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.517 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.729 CA :: 64.201 CB :: 31.807 CG :: 27.191 CD :: 50.675 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 :: 4.961 HB2 :: 1.987 HB3 :: 2.474 HG2 :: 2.002 HG3 :: 2.092 HD2 :: 3.547 HD3 :: 3.766 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.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.61 E 0.38 C Shift Assignments>> C :: 177.377 CA :: 57.901 CB :: 27.765 CG :: 34.066 CD :: 180.861 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 :: 8.717 HA :: 4.088 HB2 :: 2.056 HB3 :: 2.056 HG2 :: 2.411 HG3 :: 2.411 HE21 :: 6.910 HE22 :: 7.588 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 :: 116.850 NE2 :: 112.078 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.84 A 0.15 HN Overlap>> 1.E49 1.E49 C Shift Assignments>> C :: 175.596 CA :: 56.437 CB :: 33.191 CG :: 32.989 CE :: 17.084 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 :: 8.415 HA :: 4.271 HB2 :: 2.073 HB3 :: 2.073 HG2 :: 2.532 HG3 :: 2.620 HE1 :: 2.137 HE2 :: 2.137 HE3 :: 2.137 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 :: 116.994 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.G55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.38 L 0.26 R 0.25 F 0.03 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 169.494 CA :: 44.252 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.144 HA2 :: 2.624(S) HA3 :: 3.383 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.317 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 G 0.17 N 0.13 R 0.06 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> CA :: 50.074 CB :: 42.332 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 :: 7.991 HA :: 5.133 HB2 :: 2.653 HB3 :: 2.827 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 :: 117.234 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.769 CA :: 65.644 CB :: 32.350 CG :: 27.245 CD :: 51.411 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 :: 4.344 HB2 :: 2.245 HB3 :: 2.443 HG2 :: 2.066 HG3 :: 2.312 HD2 :: 4.085 HD3 :: 4.311 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.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.47 I 0.02 C Shift Assignments>> C :: 180.978 CA :: 54.588 CB :: 18.226 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.277 HA :: 4.266 HB1 :: 1.497 HB2 :: 1.497 HB3 :: 1.497 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.498 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.718 CB :: 63.634 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.055 HA :: 4.292 HB2 :: 4.105 HB3 :: 4.105 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.644 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 R 0.19 G 0.06 A 0.04 C Shift Assignments>> C :: 177.895 CA :: 55.137 CB :: 42.901 CG :: 27.130 CD1 :: 25.916 CD2 :: 22.846 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 :: 7.454 HA :: 4.516 HB2 :: 1.561 HB3 :: 1.832 HG :: 1.751 HD11 :: 0.733 HD12 :: 0.733 HD13 :: 0.733 HD21 :: 0.879 HD22 :: 0.879 HD23 :: 0.879 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.767 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 E 0.12 K 0.03 P 0.02 Q 0.01 C Shift Assignments>> CA :: 61.184 CB :: 26.826 CG :: 36.192 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 :: 7.534 HA :: 4.186 HB2 :: 2.197 HB3 :: 2.261 HG2 :: 2.342 HG3 :: 2.518 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 :: 118.384 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.643 CA :: 66.133 CB :: 30.900 CG :: 28.438 CD :: 50.347 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 :: 4.460 HB2 :: 1.958 HB3 :: 2.406 HG2 :: 2.025 HG3 :: 2.172 HD2 :: 3.763 HD3 :: 3.821 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.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.53 E 0.46 C Shift Assignments>> C :: 179.544 CA :: 58.819 CB :: 29.370 CG :: 34.942 CD :: 179.534 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 :: 7.427 HA :: 4.269 HB2 :: 2.208 HB3 :: 2.208 HG2 :: 2.441 HG3 :: 2.487 HE21 :: 6.851 HE22 :: 7.492 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 :: 116.935 NE2 :: 110.986 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.444 CA :: 66.613 CB :: 38.355 CG1 :: 31.868 CG2 :: 17.100 CD1 :: 13.647 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 :: 8.509 HA :: 3.536 HB :: 1.952 HG12 :: 0.896 HG13 :: 1.838 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.308 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.29 I 0.06 C Shift Assignments>> C :: 180.790 CA :: 55.573 CB :: 17.907 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.371 HA :: 4.105 HB1 :: 1.529 HB2 :: 1.529 HB3 :: 1.529 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.724 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.23 K 0.13 Q 0.07 M 0.05 C Shift Assignments>> C :: 178.585 CA :: 59.419 CB :: 29.698 CG :: 35.920 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 :: 8.008 HA :: 4.104 HB2 :: 2.157 HB3 :: 2.189 HG2 :: 2.319 HG3 :: 2.383 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 :: 119.165 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.716 CA :: 67.092 CB :: 69.039 CG2 :: 22.631 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 :: 8.071 HA :: 4.255 HB :: 4.250 HG21 :: 1.386 HG22 :: 1.386 HG23 :: 1.386 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.470 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 HN Overlap>> 1.L24 1.L24 C Shift Assignments>> C :: 180.160 CA :: 58.615 CB :: 40.819 CG :: 26.919 CD1 :: 23.250 CD2 :: 25.001 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 :: 8.525 HA :: 4.067 HB2 :: 1.652 HB3 :: 1.921 HG :: 1.930 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 0.912 HD22 :: 0.912 HD23 :: 0.912 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 :: 120.819 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.471 CA :: 61.530 CB :: 62.569 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.979 HA :: 4.310 HB2 :: 4.047 HB3 :: 4.047 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 :: 114.988 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.8 D 0.18 E 0.01 HN Overlap>> 1.M4 1.M4 C Shift Assignments>> C :: 177.608 CA :: 56.005 CB :: 37.544 CG :: 175.887 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 :: 8.443 HA :: 4.555 HB2 :: 2.652 HB3 :: 3.304 HD21 :: 7.127 HD22 :: 7.934 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 :: 122.025 ND2 :: 113.697 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.060 CA :: 66.430 CB :: 38.420 CG1 :: 31.241 CG2 :: 16.520 CD1 :: 15.797 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 :: 8.667 HA :: 3.524 HB :: 2.033 HG12 :: 0.882 HG13 :: 2.085 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 HD11 :: 0.925 HD12 :: 0.925 HD13 :: 0.925 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 :: 120.915 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.26 K 0.15 Q 0.08 M 0.02 C Shift Assignments>> CA :: 59.466 CB :: 29.105 CG :: 35.873 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 :: 7.840 HA :: 3.986 HB2 :: 2.162 HB3 :: 2.162 HG2 :: 2.417 HG3 :: 2.446 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 :: 117.359 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.R73 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 D 0.12 HN Overlap>> 1.K43 1.M44 1.K43 1.M44 C Shift Assignments>> C :: 179.534 CA :: 59.519 CB :: 30.322 CG :: 27.502 CD :: 43.080 CZ :: 175.468(A) 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 :: 7.826 HA :: 4.128 HB2 :: 2.002 HB3 :: 2.098 HG2 :: 1.559 HG3 :: 1.783 HD2 :: 3.228 HD3 :: 3.381 HE :: 7.414 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 :: 119.009 NE :: 107.360 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.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 R 0.32 G 0.21 C Shift Assignments>> C :: 179.079 CA :: 58.133 CB :: 43.845 CG :: 28.006 CD1 :: 25.906 CD2 :: 23.412 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 :: 8.764 HA :: 4.076 HB2 :: 1.306 HB3 :: 2.107 HG :: 1.773 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 HD21 :: 1.021 HD22 :: 1.021 HD23 :: 1.021 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 :: 120.760 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.44 G 0.01 M 0.01 C Shift Assignments>> C :: 179.776 CA :: 60.690 CB :: 32.581 CG :: 26.477 CD :: 29.895 CE :: 41.731 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 :: 8.926 HA :: 3.880 HB2 :: 1.824 HB3 :: 1.931 HG2 :: 1.411 HG3 :: 1.780 HD2 :: 1.630 HD3 :: 1.673 HE2 :: 2.846 HE3 :: 2.926 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 :: 119.788 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.08 C Shift Assignments>> C :: 179.826 CA :: 57.780 CB :: 41.534 CG :: 26.922 CD1 :: 23.094 CD2 :: 25.083 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 :: 7.295 HA :: 4.122 HB2 :: 1.603 HB3 :: 2.002 HG :: 1.812 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.961 HD22 :: 0.961 HD23 :: 0.961 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 :: 118.561 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.36 K 0.06 M 0.04 Q 0.01 C Shift Assignments>> C :: 178.354 CA :: 59.888 CB :: 30.064 CG :: 36.577 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 :: 7.912 HA :: 3.961 HB2 :: 2.159 HB3 :: 2.351 HG2 :: 2.334 HG3 :: 2.515 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 :: 120.305 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.355 CA :: 67.937 CB :: 31.831 CG1 :: 20.909 CG2 :: 23.511 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 :: 8.672 HA :: 3.514 HB :: 2.175 HG11 :: 0.914 HG12 :: 0.914 HG13 :: 0.914 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 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 :: 119.095 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.58 E 0.41 HN Overlap>> 1.K50 1.K50 C Shift Assignments>> C :: 178.808 CA :: 59.064 CB :: 28.662 CG :: 34.413 CD :: 180.201 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 :: 7.736 HA :: 4.083 HB2 :: 2.107 HB3 :: 2.154 HG2 :: 2.384 HG3 :: 2.556 HE21 :: 6.784 HE22 :: 7.410 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 :: 116.788 NE2 :: 110.707 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.K80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.56 R 0.32 M 0.1 C Shift Assignments>> C :: 177.959 CA :: 59.023 CB :: 31.285 CG :: 23.220 CD :: 29.358 CE :: 41.567 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 :: 7.788 HA :: 3.627 HB2 :: 1.210 HB3 :: 1.442 HG2 :: 0.005(S) HG3 :: 0.722 HD2 :: 1.278 HD3 :: 1.341 HE2 :: 2.336 HE3 :: 2.550 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 :: 121.170 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.447 CA :: 63.208 CB :: 38.822 CD1 :: 132.527 CE1 :: 118.392 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 :: 7.961 HA :: 4.230 HB2 :: 3.030 HB3 :: 3.073 HD1 :: 7.295 HD2 :: 7.295 HE1 :: 6.982 HE2 :: 6.982 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 :: 116.264 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 E 0.34 K 0.02 M 0.01 C Shift Assignments>> C :: 179.722 CA :: 60.361 CB :: 29.721 CG :: 37.523 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 :: 8.872 HA :: 4.016 HB2 :: 1.997 HB3 :: 2.272 HG2 :: 2.216 HG3 :: 2.621 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 :: 119.388 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.34 I 0.04 C Shift Assignments>> C :: 181.291 CA :: 55.116 CB :: 17.669 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.888 HA :: 4.293 HB1 :: 1.503 HB2 :: 1.503 HB3 :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.803 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.W84 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.L31 1.L31 C Shift Assignments>> C :: 179.579 CA :: 58.477 CB :: 29.547 CD1 :: 124.082 CE2 :: 171.111(A) CE3 :: 120.081 CZ2 :: 114.298 CZ3 :: 121.446 CH2 :: 124.190 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 :: 8.556 HA :: 4.746 HB2 :: 3.264 HB3 :: 3.458 HD1 :: 7.247 HE1 :: 9.958 HE3 :: 7.068 HZ2 :: 7.369 HZ3 :: 6.614 HH2 :: 7.044 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 :: 120.538 NE1 :: 127.527 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 R 0.3 K 0.05 G 0.01 C Shift Assignments>> C :: 178.056 CA :: 58.326 CB :: 41.857 CG :: 27.587 CD1 :: 26.519 CD2 :: 25.128 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 :: 9.110 HA :: 4.182 HB2 :: 1.754 HB3 :: 2.004 HG :: 1.753 HD11 :: 1.032 HD12 :: 1.032 HD13 :: 1.032 HD21 :: 1.058 HD22 :: 1.058 HD23 :: 1.058 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.101 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.35 I 0.04 C Shift Assignments>> C :: 181.119 CA :: 55.116 CB :: 17.741 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.978 HA :: 4.271 HB1 :: 1.595 HB2 :: 1.595 HB3 :: 1.595 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.323 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.25 K 0.13 Q 0.05 M 0.04 C Shift Assignments>> C :: 179.115 CA :: 59.079 CB :: 29.406 CG :: 36.174 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.958 HA :: 4.165 HB2 :: 2.223 HB3 :: 2.311 HG2 :: 2.347 HG3 :: 2.523 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 :: 118.966 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.37 I 0.03 C Shift Assignments>> C :: 180.073 CA :: 55.082 CB :: 17.952 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.358 HA :: 4.138 HB1 :: 1.470 HB2 :: 1.470 HB3 :: 1.470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.276 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.27 K 0.11 M 0.04 Q 0.04 C Shift Assignments>> C :: 178.526 CA :: 59.002 CB :: 29.514 CG :: 36.376 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 :: 8.614 HA :: 4.068 HB2 :: 2.111 HB3 :: 2.167 HG2 :: 2.270 HG3 :: 2.477 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 :: 117.414 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.859 CA :: 60.618 CB :: 63.135 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.868 HA :: 4.356 HB2 :: 4.059 HB3 :: 4.059 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 :: 114.154 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.R91 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 D 0.16 N 0.01 C Shift Assignments>> C :: 177.534 CA :: 57.895 CB :: 30.664 CG :: 27.870 CD :: 43.659 CZ :: 175.642(A) 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 :: 7.849 HA :: 4.270 HB2 :: 1.966 HB3 :: 1.966 HG2 :: 1.635 HG3 :: 1.873 HD2 :: 3.271 HD3 :: 3.271 HE :: 7.417 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 :: 121.497 NE :: 109.794 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.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.130 CA :: 64.162 CB :: 32.210 CG1 :: 21.345 CG2 :: 21.641 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 :: 7.906 HA :: 3.928 HB :: 2.218 HG11 :: 0.977 HG12 :: 0.977 HG13 :: 0.977 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 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 :: 119.287 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.1 G 0.02 A 0.02 C Shift Assignments>> C :: 178.005 CA :: 56.010 CB :: 42.124 CG :: 26.940 CD1 :: 23.263 CD2 :: 25.026 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 :: 8.064 HA :: 4.307 HB2 :: 1.645 HB3 :: 1.779 HG :: 1.737 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 0.957 HD22 :: 0.957 HD23 :: 0.957 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.345 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.494 CA :: 58.950 CB :: 63.767 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.133 HA :: 4.433 HB2 :: 3.930 HB3 :: 3.930 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 :: 114.810 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.38 C Shift Assignments>> C :: 175.147 CA :: 53.510 CB :: 38.892 CG :: 177.248 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 :: 8.230 HA :: 4.753 HB2 :: 2.836 HB3 :: 2.907 HD21 :: 6.954 HD22 :: 7.720 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 :: 120.132 ND2 :: 112.731 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.R96 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 D 0.36 N 0.05 C Shift Assignments>> C :: 176.701 CA :: 56.570 CB :: 30.835 CG :: 27.000 CD :: 43.426 CZ :: 175.595(A) 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 :: 8.226 HA :: 4.362 HB2 :: 1.845 HB3 :: 1.954 HG2 :: 1.683 HG3 :: 1.712 HD2 :: 3.233 HD3 :: 3.233 HE :: 7.321 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 :: 120.696 NE :: 109.622 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.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 R 0.04 C Shift Assignments>> C :: 172.985 CA :: 45.276 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.373 HA2 :: 3.987 HA3 :: 3.987 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.736 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.21 R 0.15 D 0.15 F 0.09 Y 0.07 N 0.02 C Shift Assignments>> CA :: 55.644 CB :: 42.156 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 :: 7.945 HA :: 4.427 HB2 :: 2.601 HB3 :: 2.680 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 :: 125.645 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 88 #Clerical: 0 #Suspicious: 2 #Anomalous: 8 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 91 #Suspicious: 7 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 0 C Shift Results: #Consistent: 441 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 8 H Shift Results: #Consistent: 726 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R17 Typing: Suspicious 1.R17 CZ = 175.760(A), Expected = 159.01, Std = 0.8700, ChiSquare = 1.3355e-82 1.R19 Typing: Suspicious 1.R19 CZ = 175.466(A), Expected = 159.01, Std = 0.8700, ChiSquare = 8.5914e-80 1.R27 Typing: Suspicious 1.R27 CZ = 175.869(A), Expected = 159.01, Std = 0.8700, ChiSquare = 1.1799e-83 1.R29 Typing: Suspicious 1.R29 CZ = 175.583(A), Expected = 159.01, Std = 0.8700, ChiSquare = 6.6427e-81 1.G55 HA2 = 2.624(S), Expected = 3.95, Std = 0.4000, ChiSquare = 9.1643e-04 1.R73 Typing: Suspicious 1.R73 CZ = 175.468(A), Expected = 159.01, Std = 0.8700, ChiSquare = 8.2248e-80 1.K80 HG2 = 0.005(S), Expected = 1.38, Std = 0.2700, ChiSquare = 3.5320e-07 1.W84 CE2 = 171.111(A), Expected = 137.38, Std = 2.8600, ChiSquare = 4.1887e-32 1.R91 Typing: Suspicious 1.R91 CZ = 175.642(A), Expected = 159.01, Std = 0.8700, ChiSquare = 1.8145e-81 1.R96 Typing: Suspicious 1.R96 CZ = 175.595(A), Expected = 159.01, Std = 0.8700, ChiSquare = 5.1037e-81