Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.176 CA :: 58.158 CB :: 64.013 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.146 HA :: 4.462 HB2 :: 3.830 HB3 :: 3.830 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.132 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.42 C Shift Assignments>> CA :: 53.382 CB :: 32.478 CG :: 32.020 CE :: 17.059 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 :: 8.414 HA :: 4.826 HB2 :: 1.972 HB3 :: 2.073 HG2 :: 2.563 HG3 :: 2.645 HE1 :: 2.101 HE2 :: 2.101 HE3 :: 2.101 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 :: 122.882 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.847 CA :: 63.386 CB :: 32.077 CG :: 27.404 CD :: 50.679 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 :: 4.425 HB2 :: 1.929 HB3 :: 2.302 HG2 :: 2.001 HG3 :: 2.046 HD2 :: 3.702 HD3 :: 3.846 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.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.643 CA :: 58.336 CB :: 63.798 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.347 HA :: 4.391 HB2 :: 3.822 HB3 :: 3.884 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 :: 115.234 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.16 K 0.11 I 0.07 Q 0.06 C Shift Assignments>> C :: 176.352 CA :: 56.572 CB :: 30.285 CG :: 36.296 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 :: 8.472 HA :: 4.297 HB2 :: 1.933 HB3 :: 2.054 HG2 :: 2.232 HG3 :: 2.278 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.045 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.4 M 0.02 G 0.01 HN Overlap>> 1.L82 1.L82 C Shift Assignments>> C :: 177.243 CA :: 55.943 CB :: 34.621 CG :: 25.582 CD :: 29.392 CE :: 42.192 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 :: 8.214 HA :: 4.500 HB2 :: 1.703 HB3 :: 1.703 HG2 :: 1.319 HG3 :: 1.497 HD2 :: 1.508 HD3 :: 1.535 HE2 :: 2.928 HE3 :: 2.928 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 :: 121.467 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.360 CA :: 61.124 CB :: 69.863 CG2 :: 21.836 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 :: 8.431 HA :: 4.383 HB :: 5.030 HG21 :: 1.240 HG22 :: 1.240 HG23 :: 1.240 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 :: 114.691 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 Y 0.4 C Shift Assignments>> C :: 177.000 CA :: 63.388 CB :: 39.586 CD1 :: 130.854 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 :: 10.194 HA :: 3.904 HB2 :: 3.008 HB3 :: 3.008 HD1 :: 7.158 HD2 :: 7.269 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 :: 124.861 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.K9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.61 K 0.34 M 0.02 G 0.01 C Shift Assignments>> C :: 177.496 CA :: 59.945 CB :: 33.870 CG :: 26.706 CD :: 30.837 CE :: 41.694 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 :: 8.707 HA :: 3.761 HB2 :: 1.637 HB3 :: 1.680 HG2 :: 1.305 HG3 :: 1.681 HD2 :: 1.359 HD3 :: 1.463 HE2 :: 2.164(S) HE3 :: 2.680 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 :: 114.189 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.51 E 0.48 C Shift Assignments>> C :: 177.416 CA :: 56.743 CB :: 30.002 CG :: 34.668 CD :: 180.418 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 :: 7.284 HA :: 4.113 HB2 :: 1.975 HB3 :: 2.269 HG2 :: 2.340 HG3 :: 2.340 HE21 :: 6.811 HE22 :: 7.516 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 :: 112.843 NE2 :: 111.382 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.23 G 0.12 C Shift Assignments>> C :: 175.059 CA :: 57.018 CB :: 31.628 CG :: 27.501 CD :: 43.495 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 :: 7.889 HA :: 4.255 HB2 :: 1.533 HB3 :: 1.831 HG2 :: 1.508 HG3 :: 1.615 HD2 :: 3.052 HD3 :: 3.118 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.567 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.R12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.51 G 0.35 K 0.12 C Shift Assignments>> CA :: 54.172 CB :: 32.857 CG :: 27.337 CD :: 43.945 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 :: 7.443 HA :: 4.493 HB2 :: 0.801(S) HB3 :: 1.180 HG2 :: 1.234 HG3 :: 1.341 HD2 :: 2.719 HD3 :: 2.856 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 :: 122.786 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.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.222 CA :: 58.274 CB :: 64.821 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.403 HB2 :: 4.076 HB3 :: 4.379 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) FLAG polypeptide(L) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.44 C Shift Assignments>> C :: 176.023 CA :: 62.790 CB :: 39.580 CZ :: 129.876 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 :: 9.239 HA :: 4.035 HB2 :: 3.003 HB3 :: 3.365 HD1 :: 7.321 HD2 :: 7.321 HZ :: 7.158 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 :: 123.729 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 E 0.28 K 0.03 C Shift Assignments>> C :: 179.549 CA :: 60.444 CB :: 28.804 CG :: 37.367 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 :: 9.093 HA :: 3.813 HB2 :: 1.993 HB3 :: 2.082 HG2 :: 2.412 HG3 :: 2.546 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 :: 115.336 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 Q 0.44 HN Overlap>> 1.V21 1.V21 C Shift Assignments>> C :: 177.931 CA :: 58.486 CB :: 29.393 CG :: 34.879 CD :: 180.506 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 :: 7.752 HA :: 4.044 HB2 :: 1.933 HB3 :: 2.246 HG2 :: 2.320 HG3 :: 2.391 HE21 :: 6.984 HE22 :: 7.697 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 :: 119.145 NE2 :: 113.674 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 T 0.21 V 0.19 P 0.06 F 0.06 Y 0.05 S 0.04 W 0.04 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 177.128 CA :: 61.442 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 :: 8.577 HA :: 4.280 HB2 :: 2.276 HB3 :: 2.276 HG2 :: 1.530 HG3 :: 1.530 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 :: 121.288 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.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.S91 1.S91 C Shift Assignments>> C :: 179.744 CA :: 65.441 CB :: 32.080 CG1 :: 23.081 CG2 :: 21.027 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 :: 8.329 HA :: 3.938 HB :: 1.776 HG11 :: 0.512 HG12 :: 0.512 HG13 :: 0.512 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 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 :: 116.752 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 K 0.2 Q 0.16 I 0.13 M 0.05 R 0.01 C Shift Assignments>> C :: 177.625 CA :: 58.637 CB :: 29.398 CG :: 35.473 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 :: 7.445 HA :: 4.270 HB2 :: 2.102 HB3 :: 2.102 HG2 :: 2.364 HG3 :: 2.364 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 :: 120.323 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.24 F 0.18 L 0.18 Y 0.14 D 0.1 R 0.08 I 0.02 N 0.01 C Shift Assignments>> C :: 179.877 CA :: 57.224 CB :: 41.487 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 :: 8.690 HA :: 4.514 HB2 :: 2.938 HB3 :: 3.692(S) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.313 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Q16 1.Q16 C Shift Assignments>> C :: 176.989 CA :: 65.989 CB :: 31.291 CG1 :: 22.227 CG2 :: 21.808 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 :: 7.731 HA :: 3.394 HB :: 1.985 HG11 :: 0.098 HG12 :: 0.098 HG13 :: 0.098 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 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 :: 119.119 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.R22 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 D 0.1 C Shift Assignments>> C :: 180.178 CA :: 59.821 CB :: 30.164 CG :: 27.235 CD :: 43.035 CZ :: 175.501(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 :: 8.313 HA :: 3.825 HB2 :: 1.901 HB3 :: 1.947 HG2 :: 1.510 HG3 :: 1.698 HD2 :: 3.069 HD3 :: 3.283 HE :: 7.941 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 :: 120.772 NE :: 118.975 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.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.16 G 0.02 HN Overlap>> 1.S93 1.S93 C Shift Assignments>> C :: 180.221 CA :: 57.541 CB :: 42.300 CG :: 27.104 CD1 :: 23.445 CD2 :: 25.265 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 :: 8.306 HA :: 4.076 HB2 :: 1.558 HB3 :: 1.913 HG :: 1.761 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 HD21 :: 0.982 HD22 :: 0.982 HD23 :: 0.982 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 :: 116.413 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.95 M 0.04 C Shift Assignments>> C :: 177.922 CA :: 60.190 CB :: 38.072 CG1 :: 30.081 CG2 :: 19.359 CD1 :: 13.207 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 :: 7.864 HA :: 4.090 HB :: 1.520 HG12 :: -0.561(S) HG13 :: 0.678 HG21 :: 0.632 HG22 :: 0.632 HG23 :: 0.632 HD11 :: 0.349 HD12 :: 0.349 HD13 :: 0.349 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 :: 121.259 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R25 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.72 G 0.15 N 0.12 C Shift Assignments>> C :: 178.479 CA :: 57.337 CB :: 28.663 CG :: 27.046 CD :: 42.396 CZ :: 175.778(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 :: 8.339 HA :: 3.973 HB2 :: 1.775 HB3 :: 1.925 HG2 :: 1.636 HG3 :: 1.780 HD2 :: 3.019 HD3 :: 3.264 HE :: 7.271 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 :: 121.816 NE :: 119.159 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.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.18 K 0.11 M 0.08 Q 0.05 C Shift Assignments>> C :: 178.158 CA :: 58.367 CB :: 29.903 CG :: 36.308 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 :: 7.133 HA :: 4.052 HB2 :: 2.100 HB3 :: 2.100 HG2 :: 2.193 HG3 :: 2.412 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 :: 116.794 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.67 E 0.32 C Shift Assignments>> C :: 176.088 CA :: 57.676 CB :: 30.382 CG :: 33.842 CD :: 179.627 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 :: 7.283 HA :: 3.888 HB2 :: 1.609 HB3 :: 1.864 HG2 :: 2.044 HG3 :: 2.360 HE21 :: 6.764 HE22 :: 7.376 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 :: 116.373 NE2 :: 110.778 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.H28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.57 W 0.42 C Shift Assignments>> CA :: 53.278 CB :: 30.933 CD2 :: 119.479 CE1 :: 138.647 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 :: 8.223 HA :: 4.941 HB2 :: 2.595 HB3 :: 2.772 HD2 :: 6.544 HE1 :: 7.746 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 :: 115.408 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.046 CA :: 64.821 CB :: 32.447 CG :: 27.229 CD :: 50.170 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.562 HB2 :: 2.003 HB3 :: 2.449 HG2 :: 1.909 HG3 :: 2.019 HD2 :: 3.211 HD3 :: 3.613 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.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.723 CA :: 60.826 CB :: 68.641 CG2 :: 21.282 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 :: 7.820 HA :: 4.583 HB :: 4.703 HG21 :: 1.177 HG22 :: 1.177 HG23 :: 1.177 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 :: 106.682 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.32 G 0.03 M 0.01 C Shift Assignments>> C :: 174.296 CA :: 53.944 CB :: 36.098 CG :: 26.296 CD :: 29.390 CE :: 42.284 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 :: 7.453 HA :: 4.850 HB2 :: 1.162 HB3 :: 1.500 HG2 :: 1.076 HG3 :: 1.365 HD2 :: 1.229 HD3 :: 1.368 HE2 :: 2.901 HE3 :: 2.901 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 :: 117.809 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 I 0.15 C Shift Assignments>> CA :: 54.606 CB :: 38.448 CG1 :: 27.663 CG2 :: 16.861 CD1 :: 9.904 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 :: 9.265 HA :: 4.106 HB :: 1.748 HG12 :: 0.945 HG13 :: 1.264 HG21 :: 0.401 HG22 :: 0.401 HG23 :: 0.401 HD11 :: 0.317 HD12 :: 0.317 HD13 :: 0.317 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 :: 122.497 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.652 CA :: 61.704 CB :: 31.873 CG :: 27.285 CD :: 50.377 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 :: 5.252 HB2 :: 1.703 HB3 :: 2.185 HG2 :: 1.626 HG3 :: 2.651 HD2 :: 3.281 HD3 :: 3.413 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.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 I 0.01 L 0.01 C Shift Assignments>> C :: 173.633 CA :: 59.830 CB :: 36.154 CG1 :: 23.166 CG2 :: 22.468 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 :: 9.359 HA :: 5.298 HB :: 1.857 HG11 :: 0.883 HG12 :: 0.883 HG13 :: 0.883 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.496 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.I35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.81 I 0.18 C Shift Assignments>> C :: 175.770 CA :: 56.320 CB :: 36.909 CG1 :: 25.014 CG2 :: 17.013 CD1 :: 8.752 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 :: 4.867 HB :: 1.441 HG12 :: -0.177(S) HG13 :: 0.384 HG21 :: 0.552 HG22 :: 0.552 HG23 :: 0.552 HD11 :: -1.024(S) HD12 :: -1.024(S) HD13 :: -1.024(S) 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 :: 127.447 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.098 CA :: 60.806 CB :: 39.357 CG1 :: 27.800 CG2 :: 18.199 CD1 :: 12.350 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 :: 8.422 HA :: 4.890 HB :: 1.775 HG12 :: 0.809 HG13 :: 1.626 HG21 :: 0.824 HG22 :: 0.824 HG23 :: 0.824 HD11 :: 0.211 HD12 :: 0.211 HD13 :: 0.211 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 :: 124.267 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 M 0.11 E 0.07 I 0.01 C Shift Assignments>> C :: 173.502 CA :: 54.214 CB :: 35.547 CG :: 39.211 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 :: 8.335 HA :: 4.820 HB2 :: 1.934 HB3 :: 2.219 HG2 :: 2.298 HG3 :: 2.298 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.296 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.R38 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.84 D 0.13 N 0.01 C Shift Assignments>> C :: 176.165 CA :: 56.235 CB :: 31.328 CG :: 26.579 CD :: 44.211 CZ :: 175.847(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 :: 8.891 HA :: 2.755(S) HB2 :: 1.562 HB3 :: 1.807 HG2 :: 1.106 HG3 :: 1.875 HD2 :: 2.869 HD3 :: 3.084 HE :: 7.045 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 :: 123.143 NE :: 119.076 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>> (HA > HD2 : 0.9912) FLAG polypeptide(L) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.064 CA :: 57.769 CB :: 39.552 CD1 :: 133.131 CE1 :: 118.165 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 :: 8.681 HA :: 4.331 HB2 :: 2.771 HB3 :: 2.970 HD1 :: 7.001 HD2 :: 7.001 HE1 :: 6.617 HE2 :: 6.617 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 :: 128.699 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.34 M 0.06 G 0.01 C Shift Assignments>> C :: 176.290 CA :: 58.772 CB :: 31.738 CG :: 23.916 CD :: 29.171 CE :: 42.001 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 :: 8.454 HA :: 3.841 HB2 :: 1.529 HB3 :: 1.646 HG2 :: 1.109 HG3 :: 1.162 HD2 :: 1.560 HD3 :: 1.560 HE2 :: 2.902 HE3 :: 2.902 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 :: 130.022 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.G41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.14 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.426 CA :: 44.673 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.457(S) HA2 :: 3.306 HA3 :: 3.999 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.628 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 M 0.19 I 0.1 K 0.03 C Shift Assignments>> C :: 176.306 CA :: 56.358 CB :: 31.014 CG :: 37.351 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 :: 7.440 HA :: 4.278 HB2 :: 2.083 HB3 :: 2.480 HG2 :: 2.272 HG3 :: 2.466 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 :: 122.648 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.21 M 0.02 G 0.02 C Shift Assignments>> C :: 177.063 CA :: 55.652 CB :: 34.871 CG :: 24.434 CD :: 28.686 CE :: 42.209 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 :: 8.912 HA :: 4.680 HB2 :: 1.725 HB3 :: 1.981 HG2 :: 1.408 HG3 :: 1.516 HD2 :: 1.632 HD3 :: 1.684 HE2 :: 2.965 HE3 :: 2.993 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 :: 123.569 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.59 E 0.4 HN Overlap>> 1.R69 1.R69 C Shift Assignments>> C :: 177.152 CA :: 57.561 CB :: 30.671 CG :: 34.171 CD :: 180.024 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 :: 8.446 HA :: 4.545 HB2 :: 2.203 HB3 :: 2.298 HG2 :: 2.401 HG3 :: 2.481 HE21 :: 6.918 HE22 :: 7.540 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 :: 118.990 NE2 :: 111.201 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.27 G 0.26 K 0.03 A 0.01 C Shift Assignments>> CA :: 53.078 CB :: 43.614 CG :: 27.539 CD1 :: 28.376 CD2 :: 24.612 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 :: 9.043 HA :: 4.716 HB2 :: 1.711 HB3 :: 1.809 HG :: 2.058 HD11 :: 1.175 HD12 :: 1.175 HD13 :: 1.175 HD21 :: 1.245 HD22 :: 1.245 HD23 :: 1.245 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 :: 120.375 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.883 CA :: 62.005 CB :: 32.609 CG :: 27.113 CD :: 50.379 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 :: 4.723 HB2 :: 2.030 HB3 :: 2.447 HG2 :: 2.080 HG3 :: 2.193 HD2 :: 3.429 HD3 :: 4.022 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.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I65 1.I65 C Shift Assignments>> C :: 175.367 CA :: 62.700 CB :: 32.927 CG1 :: 20.718 CG2 :: 21.262 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 :: 8.437 HA :: 3.914 HB :: 2.062 HG11 :: 0.941 HG12 :: 0.941 HG13 :: 0.941 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 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 :: 118.440 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 G 0.2 R 0.15 C Shift Assignments>> C :: 176.088 CA :: 54.851 CB :: 43.841 CG :: 27.214 CD1 :: 25.954 CD2 :: 24.799 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 :: 7.863 HA :: 4.384 HB2 :: 1.818 HB3 :: 2.215 HG :: 2.149 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 HD21 :: 0.970 HD22 :: 0.970 HD23 :: 0.970 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 :: 129.127 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.19 Y 0.18 L 0.15 N 0.1 K 0.07 I 0.02 C Shift Assignments>> C :: 175.121 CA :: 55.717 CB :: 40.260 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 :: 8.699 HA :: 4.293 HB2 :: 2.795 HB3 :: 2.795 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 :: 121.389 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.14 G 0.11 A 0.03 C Shift Assignments>> C :: 174.664 CA :: 53.211 CB :: 35.514 CG :: 24.193 CD :: 27.689 CE :: 42.516 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 :: 7.251 HA :: 4.540 HB2 :: 1.390 HB3 :: 1.451 HG2 :: 1.239 HG3 :: 1.395 HD2 :: 1.474 HD3 :: 1.759 HE2 :: 2.831 HE3 :: 2.891 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 :: 118.260 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 0.99 C Shift Assignments>> C :: 171.631 CA :: 63.581 CB :: 71.587 CG2 :: 22.758 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 :: 8.162 HA :: 4.685 HB :: 3.726 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 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 :: 112.535 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K52 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.79 M 0.15 R 0.03 A 0.01 C Shift Assignments>> C :: 175.417 CA :: 55.209 CB :: 33.309 CG :: 24.093 CD :: 29.562 CE :: 40.343 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 :: 6.971 HA :: 4.443 HB2 :: 0.857(S) HB3 :: 0.968 HG2 :: 0.335(S) HG3 :: 0.645 HD2 :: 0.841 HD3 :: 0.873 HE2 :: 1.159(A) HE3 :: 1.234(A) 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 :: 120.227 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.41 G 0.15 C Shift Assignments>> C :: 174.348 CA :: 56.625 CB :: 43.109 CD1 :: 132.607 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 :: 9.688 HA :: 5.675 HB2 :: 2.769 HB3 :: 2.769 HD1 :: 7.026 HD2 :: 7.026 HE1 :: 7.022 HE2 :: 7.022 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 :: 124.646 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.L54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.58 L 0.32 A 0.08 C Shift Assignments>> C :: 176.144 CA :: 52.954 CB :: 45.081 CG :: 26.136 CD1 :: 24.499 CD2 :: 22.707 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 :: 8.470 HA :: 5.044 HB2 :: 0.730 HB3 :: 0.880 HG :: 1.168 HD11 :: -0.373(S) HD12 :: -0.373(S) HD13 :: -0.373(S) HD21 :: 0.006 HD22 :: 0.006 HD23 :: 0.006 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 :: 119.430 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.03 C Shift Assignments>> CA :: 58.549 CB :: 35.342 CG1 :: 22.247 CG2 :: 21.408 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 :: 8.802 HA :: 4.640 HB :: 1.886 HG11 :: 0.823 HG12 :: 0.823 HG13 :: 0.823 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 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 :: 123.841 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 S 0.01 C Shift Assignments>> C :: 176.666 CA :: 64.256 CB :: 32.783 CG :: 28.685 CD :: 51.692 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 :: 4.439 HB2 :: 1.638 HB3 :: 2.600 HG2 :: 1.945 HG3 :: 2.197 HD2 :: 3.307 HD3 :: 4.198 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.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 D 0.17 L 0.15 K 0.1 N 0.04 I 0.04 R 0.01 C Shift Assignments>> C :: 175.417 CA :: 56.616 CB :: 40.410 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 :: 8.412 HA :: 3.848 HB2 :: 2.458 HB3 :: 2.732 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 :: 120.415 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 C Shift Assignments>> C :: 176.594 CA :: 55.584 CB :: 30.628 CD2 :: 120.573 CE1 :: 139.076 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 :: 7.373 HA :: 4.770 HB2 :: 3.017 HB3 :: 3.388 HD2 :: 7.071 HE1 :: 7.817 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 :: 113.439 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.014 CA :: 62.726 CB :: 32.190 CG1 :: 22.215 CG2 :: 21.365 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 :: 7.249 HA :: 3.903 HB :: 2.000 HG11 :: 0.651 HG12 :: 0.651 HG13 :: 0.651 HG21 :: 0.739 HG22 :: 0.739 HG23 :: 0.739 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 :: 122.597 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.73 D 0.26 C Shift Assignments>> C :: 176.477 CA :: 51.181 CB :: 39.947 CG :: 175.725 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 :: 8.677 HA :: 5.187 HB2 :: 2.648 HB3 :: 2.867 HD21 :: 6.939 HD22 :: 7.473 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 :: 122.962 ND2 :: 111.400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.92 A 0.06 I 0.01 C Shift Assignments>> C :: 177.996 CA :: 57.118 CB :: 29.998 CG :: 32.258 CE :: 16.186 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 :: 8.038 HA :: 4.426 HB2 :: 2.054 HB3 :: 2.291 HG2 :: 2.730 HG3 :: 2.810 HE1 :: 1.965 HE2 :: 1.965 HE3 :: 1.965 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 :: 116.814 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.255 CA :: 61.559 CB :: 62.430 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.401 HA :: 4.132 HB2 :: 3.903 HB3 :: 3.903 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 :: 114.109 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.24 K 0.1 M 0.06 Q 0.03 HN Overlap>> 1.R71 1.R71 C Shift Assignments>> C :: 178.327 CA :: 58.787 CB :: 29.814 CG :: 36.451 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 :: 8.014 HA :: 4.016 HB2 :: 1.929 HB3 :: 2.328 HG2 :: 2.275 HG3 :: 2.410 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 :: 122.806 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.18 K 0.03 HN Overlap>> 1.V90 1.V90 C Shift Assignments>> C :: 178.029 CA :: 57.986 CB :: 41.377 CG :: 27.020 CD1 :: 23.844 CD2 :: 26.697 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 :: 8.254 HA :: 3.932 HB2 :: 1.206 HB3 :: 2.100 HG :: 1.393 HD11 :: 0.661 HD12 :: 0.661 HD13 :: 0.661 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 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 :: 120.526 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V47 1.V47 C Shift Assignments>> C :: 177.078 CA :: 66.699 CB :: 38.128 CG1 :: 31.761 CG2 :: 17.318 CD1 :: 14.042 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 :: 8.415 HA :: 3.377 HB :: 1.995 HG12 :: 1.016 HG13 :: 1.955 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 HD11 :: 1.002 HD12 :: 1.002 HD13 :: 1.002 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 :: 118.349 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.34 G 0.01 M 0.01 C Shift Assignments>> C :: 179.260 CA :: 60.593 CB :: 32.421 CG :: 25.672 CD :: 29.674 CE :: 42.005 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 :: 7.366 HA :: 3.696 HB2 :: 1.905 HB3 :: 1.994 HG2 :: 1.358 HG3 :: 1.663 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.914 HE3 :: 2.914 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 :: 118.334 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.784 CA :: 65.488 CB :: 38.593 CG1 :: 28.930 CG2 :: 18.175 CD1 :: 13.531 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 :: 8.179 HA :: 3.546 HB :: 1.961 HG12 :: 0.937 HG13 :: 1.909 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 HD11 :: 0.658 HD12 :: 0.658 HD13 :: 0.658 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 :: 119.791 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 V 0.01 C Shift Assignments>> C :: 177.403 CA :: 63.144 CB :: 35.269 CG1 :: 27.136 CG2 :: 18.876 CD1 :: 10.141 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 :: 8.279 HA :: 3.391 HB :: 1.730 HG12 :: 1.132 HG13 :: 1.305 HG21 :: 0.537 HG22 :: 0.537 HG23 :: 0.537 HD11 :: 0.276 HD12 :: 0.276 HD13 :: 0.276 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 :: 120.267 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.63 G 0.19 K 0.17 HN Overlap>> 1.Q44 1.Q44 C Shift Assignments>> C :: 178.385 CA :: 60.642 CB :: 30.442 CG :: 28.835 CD :: 43.308 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 :: 8.454 HA :: 2.966 HB2 :: 1.549 HB3 :: 1.549 HG2 :: 0.546(S) HG3 :: 1.280 HD2 :: 2.769 HD3 :: 3.206 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 :: 118.881 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.R70 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 D 0.15 N 0.01 C Shift Assignments>> C :: 180.253 CA :: 58.510 CB :: 29.587 CG :: 27.377 CD :: 43.297 CZ :: 175.209(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 :: 7.492 HA :: 4.164 HB2 :: 1.853 HB3 :: 1.918 HG2 :: 1.611 HG3 :: 1.693 HD2 :: 3.192 HD3 :: 3.192 HE :: 6.936 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 :: 116.411 NE :: 121.894 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.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.27 G 0.11 HN Overlap>> 1.E63 1.E63 C Shift Assignments>> C :: 178.558 CA :: 59.428 CB :: 30.235 CG :: 29.514 CD :: 43.068 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 :: 8.086 HA :: 4.025 HB2 :: 1.782 HB3 :: 1.782 HG2 :: 1.674 HG3 :: 1.777 HD2 :: 2.934 HD3 :: 3.084 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 :: 122.779 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.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 R 0.27 G 0.09 A 0.03 C Shift Assignments>> C :: 174.852 CA :: 55.060 CB :: 43.109 CG :: 26.237 CD1 :: 27.348 CD2 :: 23.293 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 :: 7.755 HA :: 4.081 HB2 :: 1.328 HB3 :: 1.523 HG :: 1.423 HD11 :: 0.301 HD12 :: 0.301 HD13 :: 0.301 HD21 :: 0.677 HD22 :: 0.677 HD23 :: 0.677 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 :: 116.551 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Q73 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.64 E 0.35 C Shift Assignments>> C :: 175.619 CA :: 56.273 CB :: 25.939 CG :: 34.286 CD :: 181.421(A) 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 :: 7.740 HA :: 3.853 HB2 :: 2.171 HB3 :: 2.232 HG2 :: 2.241 HG3 :: 2.241 HE21 :: 6.819 HE22 :: 7.563 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 :: 114.737 NE2 :: 112.127 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 A 0.11 R 0.07 G 0.01 C Shift Assignments>> C :: 178.611 CA :: 54.382 CB :: 41.995 CG :: 25.926 CD1 :: 26.378 CD2 :: 22.600 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 :: 7.525 HA :: 4.242 HB2 :: 1.321 HB3 :: 1.321 HG :: 1.613 HD11 :: 0.535 HD12 :: 0.535 HD13 :: 0.535 HD21 :: 0.686 HD22 :: 0.686 HD23 :: 0.686 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 :: 114.861 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.34 C Shift Assignments>> C :: 176.527 CA :: 52.686 CB :: 39.583 CG :: 176.348 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 :: 8.970 HA :: 4.694 HB2 :: 2.810 HB3 :: 2.909 HD21 :: 7.043 HD22 :: 7.723 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.274 ND2 :: 114.061 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.46 I 0.02 HN Overlap>> 1.V84 1.V84 C Shift Assignments>> C :: 178.002 CA :: 54.797 CB :: 18.669 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.697 HA :: 3.966 HB1 :: 1.368 HB2 :: 1.368 HB3 :: 1.368 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.590 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.29 C Shift Assignments>> C :: 175.371 CA :: 53.183 CB :: 38.277 CG :: 177.281 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 :: 8.344 HA :: 4.585 HB2 :: 2.836 HB3 :: 2.836 HD21 :: 6.873 HD22 :: 7.562 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 :: 112.004 ND2 :: 112.197 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.5 E 0.49 C Shift Assignments>> C :: 175.001 CA :: 55.875 CB :: 30.227 CG :: 35.072 CD :: 179.926 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 :: 7.532 HA :: 4.281 HB2 :: 1.998 HB3 :: 2.172 HG2 :: 2.328 HG3 :: 2.399 HE21 :: 7.323 HE22 :: 8.253 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 :: 120.237 NE2 :: 114.591 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 L 0.02 C Shift Assignments>> C :: 176.367 CA :: 52.798 CB :: 20.051 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.732 HA :: 4.183 HB1 :: 1.537 HB2 :: 1.537 HB3 :: 1.537 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.399 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 Y 0.36 G 0.02 C Shift Assignments>> C :: 171.709 CA :: 59.101 CB :: 42.282 CD1 :: 131.330 CE1 :: 130.343 CZ :: 128.805 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 :: 7.603 HA :: 4.449 HB2 :: 2.585 HB3 :: 2.744 HD1 :: 6.912 HD2 :: 6.912 HE1 :: 6.767 HE2 :: 6.767 HZ :: 6.577 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 :: 118.988 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.47 C Shift Assignments>> C :: 172.644 CA :: 56.711 CB :: 41.880 CD1 :: 132.126 CE1 :: 130.984 CZ :: 129.603 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 :: 8.507 HA :: 4.421 HB2 :: 2.405 HB3 :: 2.782 HD1 :: 6.939 HD2 :: 6.939 HE1 :: 7.212 HE2 :: 7.212 HZ :: 7.273 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 :: 126.042 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.31 R 0.01 HN Overlap>> 1.K6 1.K6 C Shift Assignments>> C :: 174.440 CA :: 53.153 CB :: 45.520 CG :: 26.962 CD1 :: 26.038 CD2 :: 24.914 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 :: 8.199 HA :: 4.883 HB2 :: 1.264 HB3 :: 1.681 HG :: 1.492 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 HD21 :: 0.884 HD22 :: 0.884 HD23 :: 0.884 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 :: 121.512 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 G 0.13 R 0.13 C Shift Assignments>> C :: 177.075 CA :: 54.122 CB :: 43.394 CG :: 27.802 CD1 :: 24.511 CD2 :: 24.795 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 :: 9.349 HA :: 4.810 HB2 :: 1.012 HB3 :: 1.527 HG :: 1.270 HD11 :: 0.503 HD12 :: 0.503 HD13 :: 0.503 HD21 :: 0.541 HD22 :: 0.541 HD23 :: 0.541 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 :: 125.253 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A76 1.A76 C Shift Assignments>> C :: 175.797 CA :: 61.630 CB :: 33.647 CG1 :: 21.738 CG2 :: 21.913 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 :: 8.681 HA :: 4.411 HB :: 2.035 HG11 :: 0.965 HG12 :: 0.965 HG13 :: 0.965 HG21 :: 1.003 HG22 :: 1.003 HG23 :: 1.003 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.543 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.42 E 0.07 C Shift Assignments>> C :: 175.042 CA :: 54.610 CB :: 37.927 CG :: 178.387 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.622 HA :: 4.399 HB2 :: 2.901 HB3 :: 3.252 HD21 :: 7.165 HD22 :: 8.553 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 :: 125.848 ND2 :: 115.710 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 173.524 CA :: 45.588 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.551 HA2 :: 3.368 HA3 :: 4.064 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.093 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.53 W 0.46 C Shift Assignments>> C :: 173.910 CA :: 54.213 CB :: 31.482 CD2 :: 121.174 CE1 :: 136.845 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 :: 7.906 HA :: 5.003 HB2 :: 3.181 HB3 :: 3.287 HD2 :: 7.211 HE1 :: 8.287 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 :: 117.253 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.739 CA :: 58.245 CB :: 63.764 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.846 HA :: 4.702 HB2 :: 3.870 HB3 :: 3.870 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 :: 117.469 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.M89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.39 C Shift Assignments>> C :: 176.294 CA :: 54.853 CB :: 33.183 CG :: 32.633 CE :: 18.057 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 :: 9.174 HA :: 4.820 HB2 :: 2.035 HB3 :: 2.156 HG2 :: 2.622 HG3 :: 2.622 HE1 :: 2.139 HE2 :: 2.139 HE3 :: 2.139 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 :: 125.111 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> C :: 176.249 CA :: 63.377 CB :: 32.473 CG1 :: 21.233 CG2 :: 21.189 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 :: 8.217 HA :: 4.063 HB :: 2.188 HG11 :: 1.046 HG12 :: 1.046 HG13 :: 1.046 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 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 :: 120.477 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V18 1.V18 C Shift Assignments>> C :: 175.841 CA :: 57.860 CB :: 63.398 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.356 HA :: 4.614 HB2 :: 3.894 HB3 :: 4.009 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 :: 116.676 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L110 1.L110 C Shift Assignments>> C :: 175.856 CA :: 63.121 CB :: 31.872 CG1 :: 19.328 CG2 :: 21.527 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 :: 8.158 HA :: 4.245 HB :: 2.284 HG11 :: 1.020 HG12 :: 1.020 HG13 :: 1.020 HG21 :: 1.062 HG22 :: 1.062 HG23 :: 1.062 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 :: 119.994 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> C :: 174.154 CA :: 57.706 CB :: 63.126 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.368 HA :: 4.581 HB2 :: 3.933 HB3 :: 3.970 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.504 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.032 CB :: 70.505 CG2 :: 22.044 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 :: 7.427 HA :: 4.464 HB :: 3.853 HG21 :: 1.413 HG22 :: 1.413 HG23 :: 1.413 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 :: 119.172 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.692 CA :: 62.921 CB :: 32.774 CG :: 28.014 CD :: 51.558 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 :: 4.426 HB2 :: 2.130 HB3 :: 2.474 HG2 :: 2.124 HG3 :: 2.175 HD2 :: 3.816 HD3 :: 4.095 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.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.415 CA :: 63.880 CB :: 38.055 CG1 :: 29.280 CG2 :: 18.025 CD1 :: 14.563 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 :: 9.324 HA :: 3.956 HB :: 1.749 HG12 :: 1.208 HG13 :: 1.352 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 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 :: 123.862 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.494 CA :: 61.576 CB :: 61.262 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.211 HA :: 3.978 HB2 :: 4.031 HB3 :: 4.031 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 :: 116.529 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.25 K 0.09 M 0.05 Q 0.03 C Shift Assignments>> C :: 179.288 CA :: 58.705 CB :: 29.791 CG :: 36.582 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 :: 7.329 HA :: 4.290 HB2 :: 2.106 HB3 :: 2.163 HG2 :: 2.271 HG3 :: 2.365 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 :: 122.955 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.662 CA :: 65.774 CB :: 32.047 CG1 :: 22.160 CG2 :: 22.225 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 :: 7.386 HA :: 3.815 HB :: 2.184 HG11 :: 1.034 HG12 :: 1.034 HG13 :: 1.034 HG21 :: 1.085 HG22 :: 1.085 HG23 :: 1.085 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 :: 120.888 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.355 CA :: 62.118 CB :: 38.921 CD1 :: 133.714 CE1 :: 117.881 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 :: 8.984 HA :: 4.013 HB2 :: 3.034 HB3 :: 3.183 HD1 :: 7.133 HD2 :: 7.133 HE1 :: 6.936 HE2 :: 6.936 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.874 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.18 K 0.15 Q 0.09 M 0.05 C Shift Assignments>> C :: 177.674 CA :: 58.895 CB :: 29.577 CG :: 35.853 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 :: 7.433 HA :: 3.833 HB2 :: 2.163 HB3 :: 2.163 HG2 :: 2.460 HG3 :: 2.460 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 :: 114.383 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 176.554 CA :: 60.200 CB :: 64.828 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.423 HA :: 4.552 HB2 :: 3.965 HB3 :: 4.006 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 :: 108.722 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 M 0.26 Q 0.25 K 0.15 C Shift Assignments>> C :: 176.653 CA :: 55.464 CB :: 30.611 CG :: 34.880 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 :: 8.488 HA :: 4.752 HB2 :: 1.658 HB3 :: 2.285 HG2 :: 2.239 HG3 :: 2.370 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 :: 116.116 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.R104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.45 K 0.31 G 0.11 L 0.11 C Shift Assignments>> C :: 174.634 CA :: 56.926 CB :: 29.713 CG :: 25.196 CD :: 43.442 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 :: 7.511 HA :: 4.241 HB2 :: 1.352 HB3 :: 1.455 HG2 :: 1.251 HG3 :: 1.480 HD2 :: 2.036(S) HD3 :: 2.538 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.180 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.D105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.35 R 0.24 D 0.14 G 0.1 K 0.05 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 177.460 CA :: 53.852 CB :: 43.424 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 :: 9.069 HA :: 4.774 HB2 :: 3.217 HB3 :: 3.930(S) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.349 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.29 K 0.08 M 0.05 Q 0.02 C Shift Assignments>> C :: 177.398 CA :: 59.413 CB :: 29.983 CG :: 36.464 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.982 HA :: 4.199 HB2 :: 2.228 HB3 :: 2.228 HG2 :: 2.509 HG3 :: 2.509 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.197 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.18 L 0.15 F 0.14 Y 0.13 K 0.05 I 0.01 C Shift Assignments>> C :: 175.775 CA :: 54.698 CB :: 40.187 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 :: 9.873 HA :: 4.211 HB2 :: 2.732 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 :: 118.717 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.13 R 0.07 F 0.01 C Shift Assignments>> C :: 175.138 CA :: 45.029 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.971 HA2 :: 3.431 HA3 :: 4.526 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.017 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 F 0.48 C Shift Assignments>> C :: 175.171 CA :: 60.222 CB :: 40.433 CD1 :: 132.266 CE1 :: 131.710 CZ :: 128.239 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 :: 9.799 HA :: 4.607 HB2 :: 2.043 HB3 :: 3.646 HD1 :: 7.143 HD2 :: 7.143 HE1 :: 7.373 HE2 :: 7.373 HZ :: 7.244 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 :: 123.309 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.28 R 0.03 HN Overlap>> 1.V92 1.V92 C Shift Assignments>> C :: 174.033 CA :: 53.539 CB :: 45.284 CG :: 27.432 CD1 :: 26.628 CD2 :: 24.580 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 :: 8.061 HA :: 5.022 HB2 :: 1.515 HB3 :: 2.276 HG :: 1.535 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 HD21 :: 0.960 HD22 :: 0.960 HD23 :: 0.960 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 :: 119.999 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.538 CA :: 59.335 CB :: 39.485 CD1 :: 132.703 CE1 :: 118.974 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 :: 9.363 HA :: 4.906 HB2 :: 2.963 HB3 :: 3.072 HD1 :: 7.345 HD2 :: 7.345 HE1 :: 7.301 HE2 :: 7.301 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 :: 126.322 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.M112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.23 C Shift Assignments>> C :: 175.676 CA :: 54.216 CB :: 36.821 CG :: 33.602 CE :: 18.944 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 :: 9.496 HA :: 5.522 HB2 :: 1.944 HB3 :: 1.986 HG2 :: 2.465 HG3 :: 2.465 HE1 :: 1.826 HE2 :: 1.826 HE3 :: 1.826 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 :: 119.003 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 A 0.03 I 0.02 C Shift Assignments>> C :: 174.893 CA :: 58.896 CB :: 36.149 CG1 :: 21.039 CG2 :: 21.824 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 :: 8.749 HA :: 5.967 HB :: 1.940 HG11 :: 1.005 HG12 :: 1.005 HG13 :: 1.005 HG21 :: 1.045 HG22 :: 1.045 HG23 :: 1.045 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 :: 119.658 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>> G 0.58 Y 0.41 C Shift Assignments>> C :: 173.353 CA :: 54.161 CB :: 43.538 CD1 :: 133.668 CE1 :: 116.985 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 :: 8.210 HA :: 6.141 HB2 :: 2.435 HB3 :: 2.703 HD1 :: 6.858 HD2 :: 6.858 HE1 :: 6.706 HE2 :: 6.706 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.947 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 P 0.2 K 0.15 R 0.05 M 0.04 A 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 176.033 CA :: 51.223 CB :: 24.521 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.483 HA :: 4.762 HB1 :: 1.528 HB2 :: 1.528 HB3 :: 1.528 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.557 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.664 CA :: 58.669 CB :: 63.570 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.835 HA :: 4.497 HB2 :: 3.916 HB3 :: 4.324 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 :: 114.435 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.74 E 0.24 C Shift Assignments>> C :: 172.901 CA :: 53.974 CB :: 32.192 CG :: 33.302 CD :: 180.566 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 :: 7.180 HA :: 4.460 HB2 :: 1.768 HB3 :: 1.987 HG2 :: 2.017 HG3 :: 2.087 HE21 :: 6.866 HE22 :: 7.514 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 :: 116.449 NE2 :: 112.369 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.E118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.58 M 0.15 K 0.1 I 0.09 Q 0.05 C Shift Assignments>> C :: 175.233 CA :: 56.890 CB :: 30.325 CG :: 36.391 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 :: 7.878 HA :: 3.259 HB2 :: 1.140(S) HB3 :: 1.254(S) HG2 :: 1.483(S) HG3 :: 1.641 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 :: 117.687 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.134 CA :: 60.123 CB :: 70.147 CG2 :: 21.163 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 :: 6.968 HA :: 4.082 HB :: 3.927 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 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 :: 109.548 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.47 C Shift Assignments>> C :: 174.902 CA :: 56.750 CB :: 39.411 CD1 :: 131.533 CE1 :: 130.750 CZ :: 128.911 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 :: 8.138 HA :: 4.436 HB2 :: 2.661 HB3 :: 3.018 HD1 :: 6.760 HD2 :: 6.760 HE1 :: 6.812 HE2 :: 6.812 HZ :: 6.806 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 :: 121.777 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> CA :: 46.149 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.872 HA2 :: 3.762 HA3 :: 3.762 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.421 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 2.M1 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 1 C Shift Assignments>> C :: 175.951 CA :: 85.327(A) CB :: 62.922(A) CG :: 61.859(A) 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>> HA :: 4.516 HB2 :: 1.979 HB3 :: 2.088 HG2 :: 2.472 HG3 :: 2.545 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) FLAG polypeptide(L) 2.S2 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> H 0.99 C Shift Assignments>> C :: 174.962 CA :: 88.436(A) CB :: 93.927(A) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.471 HA :: 4.484 HB2 :: 3.870 HB3 :: 3.905 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 :: 147.261(A) Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 2.G3 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> T 0.96 V 0.03 C Shift Assignments>> C :: 174.774 CA :: 75.465(A) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.601 HA2 :: 4.022 HA3 :: 4.022 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 141.077(A) Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 2.G4 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> T 0.96 V 0.03 C Shift Assignments>> C :: 174.758 CA :: 75.674(A) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.372 HA2 :: 3.980 HA3 :: 3.980 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 138.894(A) Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 2.D5 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> T 1 C Shift Assignments>> CA :: 85.066(A) CB :: 71.191(A) 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 :: 8.429 HA :: 4.610 HB2 :: 2.585 HB3 :: 2.719 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 :: 149.637(A) Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 2.D6 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> T 1 C Shift Assignments>> C :: 175.432 CA :: 84.708(A) CB :: 71.552(A) 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 :: 8.244 HA :: 4.559 HB2 :: 2.561 HB3 :: 2.746 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 :: 148.885(A) Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 2.D7 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> T 1 C Shift Assignments>> C :: 175.362 CA :: 83.670(A) CB :: 71.933(A) 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 :: 7.803 HA :: 4.655 HB2 :: 2.569 HB3 :: 2.621 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 :: 149.563(A) Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 2.W8 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> G 0.99 C Shift Assignments>> C :: 175.959 CA :: 87.020(A) CB :: 61.223(A) CD1 :: 158.329(A) CE3 :: 155.094(A) CZ2 :: 144.030(A) CZ3 :: 161.540(A) CH2 :: 160.818(A) 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 :: 8.472 HA :: 4.174 HB2 :: 2.651 HB3 :: 2.967 HD1 :: 7.396 HE1 :: 10.218 HE3 :: 6.977 HZ2 :: 7.367 HZ3 :: 6.763 HH2 :: 6.819 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 :: 150.172(A) NE1 :: 160.134(A) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 2.T9 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> G 1 C Shift Assignments>> C :: 174.035 CA :: 92.659(A) CB :: 99.436(A) CG2 :: 51.112(A) 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 :: 7.994 HA :: 4.533 HB :: 3.624 HG21 :: 1.211 HG22 :: 1.211 HG23 :: 1.211 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 :: 149.503(A) Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 2.H10 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> G 0.99 C Shift Assignments>> C :: 175.606 CA :: 87.024(A) CB :: 61.368(A) CD2 :: 147.416(A) CE1 :: 166.282(A) 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 :: 9.463 HA :: 4.677 HB2 :: 2.883 HB3 :: 3.072 HD2 :: 6.966 HE1 :: 6.352 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 :: 159.135(A) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 2.L11 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> S 0.95 G 0.04 C Shift Assignments>> C :: 175.919 CA :: 83.684(A) CB :: 73.601(A) CG :: 56.678(A) CD1 :: 54.915(A) CD2 :: 52.534(A) 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 :: 8.398 HA :: 4.848 HB2 :: 1.418 HB3 :: 1.750 HG :: 1.754 HD11 :: 0.448 HD12 :: 0.448 HD13 :: 0.448 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 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 :: 153.300(A) Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 2.S12 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> Y 0.99 C Shift Assignments>> C :: 174.263 CA :: 86.841(A) CB :: 95.113(A) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.382 HA :: 4.652 HB2 :: 3.800 HB3 :: 3.928 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 :: 144.018(A) Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 2.S13 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> H 0.99 C Shift Assignments>> C :: 174.652 CA :: 89.546(A) CB :: 93.470(A) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.937 HA :: 4.291 HB2 :: 3.753 HB3 :: 3.984 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 :: 148.575(A) Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 2.K14 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> S 0.99 C Shift Assignments>> C :: 176.699 CA :: 86.716(A) CB :: 62.831(A) CG :: 54.671(A) CD :: 58.966(A) CE :: 72.061(A) 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 :: 8.250 HA :: 4.319 HB2 :: 1.741 HB3 :: 1.845 HG2 :: 1.429 HG3 :: 1.429 HD2 :: 1.673 HD3 :: 1.673 HE2 :: 2.989 HE3 :: 2.989 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 :: 151.908(A) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 2.E15 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> S 1 C Shift Assignments>> C :: 176.152 CA :: 87.152(A) CB :: 60.176(A) CG :: 66.842(A) 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 :: 8.256 HA :: 4.240 HB2 :: 1.974 HB3 :: 2.128 HG2 :: 2.284 HG3 :: 2.284 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 :: 150.679(A) Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 2.V16 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> S 0.8 G 0.19 C Shift Assignments>> C :: 174.646 CA :: 91.707(A) CB :: 63.107(A) CG1 :: 49.984(A) CG2 :: 51.657(A) 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 :: 7.762 HA :: 4.161 HB :: 2.160 HG11 :: 0.892 HG12 :: 0.892 HG13 :: 0.892 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 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 :: 146.718(A) Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 2.D17 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> T 0.99 C Shift Assignments>> CA :: 86.067(A) CB :: 72.278(A) 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 :: 7.809 HA :: 4.365 HB2 :: 2.545 HB3 :: 2.645 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 :: 158.093(A) Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 104 #Clerical: 0 #Suspicious: 11 #Anomalous: 6 #Mistyped: 17 #Indeterminable: 0 Typing Results: #Consistent: 117 #Suspicious: 4 #Mistyped: 17 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 137 #Suspicious: 1 C Shift Results: #Consistent: 566 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 55 H Shift Results: #Consistent: 986 #Duplicate: 0 #Unknown: 0 #Suspicious: 21 #Anomalous: 2 N Shift Results: #Consistent: 129 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 17 Error Summary: 1.K9 HE2 = 2.164(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.2814e-04 1.R12 HB2 = 0.801(S), Expected = 1.79, Std = 0.2800, ChiSquare = 4.1221e-04 1.D20 HB3 = 3.692(S), Expected = 2.70, Std = 0.2900, ChiSquare = 6.2463e-04 1.R22 Typing: Suspicious 1.R22 CZ = 175.501(A), Expected = 159.01, Std = 0.8700, ChiSquare = 4.0024e-80 1.I24 HG12 = -0.561(S), Expected = 1.30, Std = 0.4000, ChiSquare = 3.2793e-06 1.R25 Typing: Suspicious 1.R25 CZ = 175.778(A), Expected = 159.01, Std = 0.8700, ChiSquare = 8.9553e-83 1.I35 HG12 = -0.177(S), Expected = 1.30, Std = 0.4000, ChiSquare = 2.2206e-04 1.I35 HD11 = -1.024(S), Expected = 0.70, Std = 0.3000, ChiSquare = 9.1020e-09 1.I35 HD12 = -1.024(S), Expected = 0.70, Std = 0.3000, ChiSquare = 9.1020e-09 1.I35 HD13 = -1.024(S), Expected = 0.70, Std = 0.3000, ChiSquare = 9.1020e-09 1.R38 Typing: Suspicious 1.R38 CZ = 175.847(A), Expected = 159.01, Std = 0.8700, ChiSquare = 1.9279e-83 1.R38 HA = 2.755(S), Expected = 4.27, Std = 0.4400, ChiSquare = 5.7491e-04 1.R38 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.G41 H = 5.457(S), Expected = 8.34, Std = 0.7400, ChiSquare = 9.7816e-05 1.K52 HB2 = 0.857(S), Expected = 1.79, Std = 0.2500, ChiSquare = 1.8997e-04 1.K52 HG2 = 0.335(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.0867e-04 1.K52 HE2 = 1.159(A), Expected = 2.93, Std = 0.2000, ChiSquare = 8.3684e-19 1.K52 HE3 = 1.234(A), Expected = 2.93, Std = 0.2000, ChiSquare = 2.2519e-17 1.L54 HD11 = -0.373(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3025e-05 1.L54 HD12 = -0.373(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3025e-05 1.L54 HD13 = -0.373(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3025e-05 1.R69 HG2 = 0.546(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.2834e-04 1.R70 Typing: Suspicious 1.R70 CZ = 175.209(A), Expected = 159.01, Std = 0.8700, ChiSquare = 2.2312e-77 1.Q73 CD = 181.421(A), Expected = 179.68, Std = 1.1700, ChiSquare = 1.3674e-01 1.R104 HD2 = 2.036(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.9696e-06 1.D105 HB3 = 3.930(S), Expected = 2.70, Std = 0.2900, ChiSquare = 2.2215e-05 1.E118 HB2 = 1.140(S), Expected = 2.04, Std = 0.2200, ChiSquare = 4.2969e-05 1.E118 HB3 = 1.254(S), Expected = 2.04, Std = 0.2300, ChiSquare = 6.3224e-04 1.E118 HG2 = 1.483(S), Expected = 2.31, Std = 0.2100, ChiSquare = 8.2131e-05 2.M1 Typing: Mistyped 2.M1 CA = 85.327(A), Expected = 56.16, Std = 2.3400, ChiSquare = 1.1656e-35 2.M1 CB = 62.922(A), Expected = 32.90, Std = 2.2300, ChiSquare = 2.5898e-41 2.M1 CG = 61.859(A), Expected = 32.07, Std = 1.4500, ChiSquare = 0.0000e+00 2.S2 Typing: Mistyped 2.S2 CA = 88.436(A), Expected = 58.57, Std = 2.1200, ChiSquare = 4.5182e-45 2.S2 CB = 93.927(A), Expected = 63.80, Std = 1.5700, ChiSquare = 4.5584e-82 2.S2 N = 147.261(A), Expected = 116.30, Std = 3.9500, ChiSquare = 4.5695e-15 2.G3 Typing: Mistyped 2.G3 CA = 75.465(A), Expected = 45.33, Std = 1.4200, ChiSquare = 0.0000e+00 2.G3 N = 141.077(A), Expected = 109.91, Std = 4.2900, ChiSquare = 3.7294e-13 2.G4 Typing: Mistyped 2.G4 CA = 75.674(A), Expected = 45.33, Std = 1.4200, ChiSquare = 0.0000e+00 2.G4 N = 138.894(A), Expected = 109.91, Std = 4.2900, ChiSquare = 1.4168e-11 2.D5 Typing: Mistyped 2.D5 CA = 85.066(A), Expected = 54.52, Std = 2.1000, ChiSquare = 6.2178e-48 2.D5 CB = 71.191(A), Expected = 40.70, Std = 1.6700, ChiSquare = 1.7844e-74 2.D5 N = 149.637(A), Expected = 120.73, Std = 4.2000, ChiSquare = 5.8762e-12 2.D6 Typing: Mistyped 2.D6 CA = 84.708(A), Expected = 54.52, Std = 2.1000, ChiSquare = 7.4015e-47 2.D6 CB = 71.552(A), Expected = 40.70, Std = 1.6700, ChiSquare = 3.3281e-76 2.D6 N = 148.885(A), Expected = 120.73, Std = 4.2000, ChiSquare = 2.0339e-11 2.D7 Typing: Mistyped 2.D7 CA = 83.670(A), Expected = 54.52, Std = 2.1000, ChiSquare = 8.2639e-44 2.D7 CB = 71.933(A), Expected = 40.70, Std = 1.6700, ChiSquare = 4.7330e-78 2.D7 N = 149.563(A), Expected = 120.73, Std = 4.2000, ChiSquare = 6.6491e-12 2.W8 Typing: Mistyped 2.W8 CA = 87.020(A), Expected = 57.71, Std = 2.6500, ChiSquare = 1.9527e-28 2.W8 CB = 61.223(A), Expected = 30.16, Std = 2.1900, ChiSquare = 1.1506e-45 2.W8 CD1 = 158.329(A), Expected = 126.16, Std = 1.7600, ChiSquare = 1.2425e-74 2.W8 CE3 = 155.094(A), Expected = 120.38, Std = 1.5000, ChiSquare = 0.0000e+00 2.W8 CZ2 = 144.030(A), Expected = 114.19, Std = 1.0900, ChiSquare = 0.0000e+00 2.W8 CZ3 = 161.540(A), Expected = 121.57, Std = 1.7600, ChiSquare = 0.0000e+00 2.W8 CH2 = 160.818(A), Expected = 123.75, Std = 1.3400, ChiSquare = 0.0000e+00 2.W8 N = 150.172(A), Expected = 121.87, Std = 4.5800, ChiSquare = 6.4315e-10 2.W8 NE1 = 160.134(A), Expected = 129.48, Std = 2.5600, ChiSquare = 4.8498e-33 2.T9 Typing: Mistyped 2.T9 CA = 92.659(A), Expected = 62.15, Std = 2.7200, ChiSquare = 3.3823e-29 2.T9 CB = 99.436(A), Expected = 69.64, Std = 1.7000, ChiSquare = 8.9059e-69 2.T9 CG2 = 51.112(A), Expected = 21.44, Std = 1.3900, ChiSquare = 0.0000e+00 2.T9 N = 149.503(A), Expected = 115.70, Std = 5.0500, ChiSquare = 2.1765e-11 2.H10 Typing: Mistyped 2.H10 CA = 87.024(A), Expected = 56.37, Std = 2.4000, ChiSquare = 2.3353e-37 2.H10 CB = 61.368(A), Expected = 29.95, Std = 2.1500, ChiSquare = 2.3199e-48 2.H10 CD2 = 147.416(A), Expected = 119.84, Std = 3.3000, ChiSquare = 6.4681e-17 2.H10 CE1 = 166.282(A), Expected = 136.05, Std = 3.5800, ChiSquare = 3.0485e-17 2.H10 N = 159.135(A), Expected = 119.44, Std = 4.5200, ChiSquare = 1.6048e-18 2.L11 Typing: Mistyped 2.L11 CA = 83.684(A), Expected = 55.65, Std = 2.2100, ChiSquare = 7.1552e-37 2.L11 CB = 73.601(A), Expected = 42.37, Std = 1.8600, ChiSquare = 2.8469e-63 2.L11 CG = 56.678(A), Expected = 26.77, Std = 1.2500, ChiSquare = 0.0000e+00 2.L11 CD1 = 54.915(A), Expected = 24.73, Std = 1.7100, ChiSquare = 9.8134e-70 2.L11 CD2 = 52.534(A), Expected = 24.10, Std = 1.7800, ChiSquare = 1.9345e-57 2.L11 N = 153.300(A), Expected = 121.98, Std = 4.0700, ChiSquare = 1.4113e-14 2.S12 Typing: Mistyped 2.S12 CA = 86.841(A), Expected = 58.57, Std = 2.1200, ChiSquare = 1.4412e-40 2.S12 CB = 95.113(A), Expected = 63.80, Std = 1.5700, ChiSquare = 1.6703e-88 2.S12 N = 144.018(A), Expected = 116.30, Std = 3.9500, ChiSquare = 2.2633e-12 2.S13 Typing: Mistyped 2.S13 CA = 89.546(A), Expected = 58.57, Std = 2.1200, ChiSquare = 2.3786e-48 2.S13 CB = 93.470(A), Expected = 63.80, Std = 1.5700, ChiSquare = 1.1826e-79 2.S13 N = 148.575(A), Expected = 116.30, Std = 3.9500, ChiSquare = 3.0613e-16 2.K14 Typing: Mistyped 2.K14 CA = 86.716(A), Expected = 56.84, Std = 2.2500, ChiSquare = 3.0966e-40 2.K14 CB = 62.831(A), Expected = 32.83, Std = 1.8800, ChiSquare = 2.5072e-57 2.K14 CG = 54.671(A), Expected = 24.91, Std = 1.3100, ChiSquare = 0.0000e+00 2.K14 CD = 58.966(A), Expected = 28.78, Std = 1.3900, ChiSquare = 0.0000e+00 2.K14 CE = 72.061(A), Expected = 41.78, Std = 0.9800, ChiSquare = 0.0000e+00 2.K14 N = 151.908(A), Expected = 121.16, Std = 4.1100, ChiSquare = 7.3610e-14 2.E15 Typing: Mistyped 2.E15 CA = 87.152(A), Expected = 57.42, Std = 2.1900, ChiSquare = 5.5386e-42 2.E15 CB = 60.176(A), Expected = 30.07, Std = 1.8400, ChiSquare = 3.5746e-60 2.E15 CG = 66.842(A), Expected = 36.01, Std = 1.5100, ChiSquare = 0.0000e+00 2.E15 N = 150.679(A), Expected = 120.68, Std = 3.6800, ChiSquare = 3.5824e-16 2.V16 Typing: Mistyped 2.V16 CA = 91.707(A), Expected = 62.48, Std = 3.0400, ChiSquare = 6.9686e-22 2.V16 CB = 63.107(A), Expected = 32.66, Std = 1.9100, ChiSquare = 3.2990e-57 2.V16 CG1 = 49.984(A), Expected = 21.38, Std = 1.5300, ChiSquare = 5.3939e-78 2.V16 CG2 = 51.657(A), Expected = 21.31, Std = 1.7600, ChiSquare = 1.2716e-66 2.V16 N = 146.718(A), Expected = 121.02, Std = 4.9600, ChiSquare = 2.2064e-07 2.D17 Typing: Mistyped 2.D17 CA = 86.067(A), Expected = 54.52, Std = 2.1000, ChiSquare = 5.2392e-51 2.D17 CB = 72.278(A), Expected = 40.70, Std = 1.6700, ChiSquare = 9.6196e-80 2.D17 N = 158.093(A), Expected = 120.73, Std = 4.2000, ChiSquare = 5.7920e-19