Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.38 L 0.27 C 0.07 G 0.06 K 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.260 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA3 :: 3.860 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.386 CB :: 63.976 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.661 HA :: 4.446 HB3 :: 3.804 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 :: 115.723 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.33 C 0.26 C Shift Assignments>> CA :: 55.386 CB :: 29.472 CD2 :: 120.085 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 :: 8.492 HA :: 4.690 HB2 :: 3.205 HB3 :: 3.249 HD2 :: 7.197 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 :: 120.283 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.46 A 0.03 I 0.01 C Shift Assignments>> CA :: 57.209 CB :: 33.312 CE :: 16.608 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 :: 8.250 HA :: 4.133 HB3 :: 1.552 HE1 :: 2.087 HE2 :: 2.087 HE3 :: 2.087 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 :: 127.278 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.29 N 0.23 D 0.11 P 0.09 C 0.05 L 0.04 M 0.03 H 0.03 R 0.01 Q 0.01 W 0.01 K 0.01 Y 0.01 F 0.01 C Shift Assignments>> CA :: 51.745 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) FLAG polypeptide(L) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.32 R 0.26 K 0.23 Q 0.08 P 0.03 M 0.02 C Shift Assignments>> CA :: 59.291 CB :: 31.929 CG :: 27.825 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 :: 4.307 HB3 :: 2.376 HG2 :: 2.037 HG3 :: 2.490 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.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.17 D 0.16 K 0.14 C 0.1 F 0.05 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> CA :: 54.722 CB :: 42.554 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 :: 7.854 HA :: 4.063 HB2 :: 1.701 HB3 :: 1.644 HG :: 0.916 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 :: 125.525 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> 1.R16 1.R16 C Shift Assignments>> C :: 178.241 CA :: 62.040 CB :: 69.801 CG2 :: 21.492 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 :: 8.652 HA :: 4.331 HB :: 4.080 HG21 :: 1.173 HG22 :: 1.173 HG23 :: 1.173 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 :: 119.051 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 M 0.12 E 0.09 R 0.04 HN Overlap>> 1.A151 1.A151 C Shift Assignments>> C :: 176.838 CA :: 55.494 CB :: 29.733 CG :: 33.618 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 :: 8.523 HA :: 4.314 HB2 :: 2.044 HB3 :: 1.934 HG2 :: 2.316 HG3 :: 2.300 HE21 :: 6.851 HE22 :: 7.521 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.287 NE2 :: 112.488 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 C Shift Assignments>> C :: 174.657 CA :: 52.258 CB :: 18.954 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.410 HA :: 4.295 HB1 :: 1.350 HB2 :: 1.350 HB3 :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.594 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.47 C Shift Assignments>> C :: 177.762 CA :: 59.646 CB :: 32.621 CG1 :: 21.263 CG2 :: 20.150 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 :: 8.134 HA :: 4.355 HB :: 1.979 HG11 :: 0.943 HG12 :: 0.943 HG13 :: 0.943 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.225 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.810 CA :: 62.883 CB :: 32.237 CG :: 27.312 CD :: 50.931 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 :: 4.299 HB2 :: 1.783 HB3 :: 2.161 HG2 :: 1.906 HG3 :: 1.934 HD2 :: 3.754 HD3 :: 3.524 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.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.35 R 0.17 M 0.03 HN Overlap>> 1.R65 1.R65 C Shift Assignments>> C :: 175.650 CA :: 55.441 CB :: 32.814 CG :: 24.639 CD :: 28.979 CE :: 41.954 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 :: 8.138 HA :: 4.228 HB2 :: 1.614 HB3 :: 1.683 HG2 :: 1.276 HG3 :: 1.360 HD2 :: 1.607 HD3 :: 1.592 HE2 :: 2.899 HE3 :: 2.900 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 :: 120.547 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.33 M 0.08 E 0.05 Y 0.04 K 0.02 D 0.01 F 0.01 HN Overlap>> 1.E131 1.E131 C Shift Assignments>> C :: 176.437 CA :: 52.035 CB :: 36.297 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.209 HA :: 4.809 HB2 :: 2.317 HB3 :: 3.256 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.506 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.Q15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 R 0.25 K 0.19 Q 0.16 M 0.02 C Shift Assignments>> C :: 174.422 CA :: 54.493 CB :: 26.722 CG :: 32.596 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 :: 8.926 HA :: 3.830 HB2 :: -0.164(S) HB3 :: 0.273(S) HG2 :: 2.099 HG3 :: 2.089 HE21 :: 6.807 HE22 :: 7.599 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 :: 119.527 NE2 :: 113.158 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.R16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 R 0.34 K 0.28 G 0.01 HN Overlap>> 1.T8 1.T8 C Shift Assignments>> C :: 175.919 CA :: 59.245 CB :: 30.586 CG :: 28.266 CD :: 42.085 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 :: 8.575 HA :: 3.827 HB2 :: 1.464 HB3 :: 1.465 HG2 :: 1.320 HG3 :: 1.476 HD2 :: 2.326(S) HD3 :: 2.099(S) HE :: 6.993 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.098 NE :: 83.976 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.W17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 W 0.3 H 0.09 C Shift Assignments>> C :: 179.354 CA :: 56.878 CB :: 28.121 CD1 :: 127.818 CE3 :: 119.195 CZ2 :: 115.612 CZ3 :: 123.393 CH2 :: 125.757 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 :: 6.353 HA :: 4.778 HB2 :: 3.772 HB3 :: 3.027 HD1 :: 7.299 HE1 :: 10.911 HE3 :: 7.455 HZ2 :: 7.586 HZ3 :: 7.187 HH2 :: 7.310 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 :: 110.847 NE1 :: 132.744 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.E18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.95 M 0.02 E 0.01 C Shift Assignments>> C :: 177.749 CA :: 53.998 CB :: 35.650 CG :: 36.885 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 :: 7.356 HA :: 5.161 HB2 :: 1.693 HB3 :: 1.941 HG2 :: 1.489(S) HG3 :: 1.813 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 :: 120.493 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 K 0.16 M 0.1 A 0.04 C Shift Assignments>> C :: 178.467 CA :: 53.731 CB :: 35.972 CG :: 23.710 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.307 HA :: 4.580 HB2 :: 1.757 HB3 :: 1.553 HG2 :: 1.035 HG3 :: 0.871 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 :: 115.630 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.24 R 0.13 G 0.05 HN Overlap>> 1.V54 1.V54 C Shift Assignments>> C :: 174.513 CA :: 54.686 CB :: 42.937 CG :: 27.253 CD1 :: 25.686 CD2 :: 24.067 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 :: 8.367 HA :: 4.629 HB2 :: 1.585 HB3 :: 1.373 HG :: 1.361 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 HD21 :: 0.658 HD22 :: 0.658 HD23 :: 0.658 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.948 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.38 Q 0.11 E 0.09 K 0.01 C Shift Assignments>> C :: 176.790 CA :: 55.659 CB :: 32.839 CG :: 34.206 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.438 HA :: 4.447 HB2 :: 1.716 HB3 :: 1.968 HG2 :: 2.091 HG3 :: 2.240 HE21 :: 6.915 HE22 :: 7.560 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.549 NE2 :: 111.737 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 N 0.19 E 0.16 Y 0.14 F 0.07 M 0.05 D 0.04 I 0.01 K 0.01 C Shift Assignments>> C :: 177.415 CA :: 55.069 CB :: 37.200 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 :: 9.555 HA :: 4.312 HB2 :: 2.775 HB3 :: 3.008 HD21 :: 6.947 HD22 :: 7.611 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 :: 127.004 ND2 :: 112.954 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.888 CA :: 60.065 CB :: 62.304 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.697 HA :: 3.822 HB2 :: 4.054 HB3 :: 4.104 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 :: 106.988 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.28 G 0.13 K 0.12 C Shift Assignments>> C :: 177.828 CA :: 53.924 CB :: 33.398 CG :: 26.684 CD :: 43.428 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 :: 7.733 HA :: 4.623 HB2 :: 1.793 HB3 :: 1.730 HG2 :: 1.626 HG3 :: 1.589 HD2 :: 3.167 HD3 :: 3.176 HE :: 7.102 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 :: 118.862 NE :: 84.987 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.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 N 0.19 C 0.14 F 0.12 Y 0.12 L 0.1 K 0.02 I 0.01 C Shift Assignments>> C :: 177.077 CA :: 54.609 CB :: 39.911 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.704 HA :: 5.060 HB2 :: 2.665 HB3 :: 2.580 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.349 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.2 A 0.01 I 0.01 C Shift Assignments>> C :: 176.554 CA :: 58.780 CB :: 35.193 CG1 :: 19.127 CG2 :: 21.464 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 :: 9.278 HA :: 4.833 HB :: 2.300 HG11 :: 0.711 HG12 :: 0.711 HG13 :: 0.711 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 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 :: 119.530 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.2 F 0.15 N 0.15 D 0.11 E 0.05 L 0.03 I 0.03 M 0.01 C Shift Assignments>> C :: 175.359 CA :: 55.720 CB :: 38.535 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.502 HA :: 4.689 HB2 :: 3.544 HB3 :: 2.792 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.712 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Q 0.16 K 0.15 M 0.14 E 0.12 V 0.05 W 0.03 R 0.02 H 0.02 Y 0.02 I 0.01 C Shift Assignments>> C :: 176.990 CA :: 57.971 CB :: 34.319 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.324 HA :: 3.946 HB2 :: 1.455 HB3 :: 1.876 HE2 :: 2.958 HE3 :: 2.935 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 :: 120.511 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.M29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 M 0.34 C 0.19 C Shift Assignments>> C :: 174.075 CA :: 52.038 CB :: 31.800 CG :: 32.511 CE :: 17.437 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 :: 8.676 HA :: 4.752 HB2 :: 1.343 HB3 :: 1.032 HG2 :: 2.750 HG3 :: 2.413 HE1 :: 2.162 HE2 :: 2.162 HE3 :: 2.162 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 :: 114.327 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.61 P 0.2 I 0.13 C 0.04 C Shift Assignments>> C :: 174.871 CA :: 66.865 CB :: 31.114 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 :: 3.872 HB2 :: 2.144 HB3 :: 2.323 HG2 :: 1.996 HG3 :: 2.056 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.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 Y 0.37 H 0.04 C Shift Assignments>> C :: 176.088 CA :: 57.504 CB :: 36.118 CD1 :: 133.677 CD2 :: 133.677 CE1 :: 118.967 CE2 :: 118.967 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 :: 6.640 HA :: 4.526 HB2 :: 2.913 HB3 :: 3.371 HD1 :: 7.053 HD2 :: 7.053 HE1 :: 6.842 HE2 :: 6.842 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 :: 109.208 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 Q 0.13 E 0.13 W 0.13 R 0.13 C 0.11 K 0.11 M 0.05 I 0.01 C Shift Assignments>> C :: 174.437 CA :: 56.393 CB :: 29.833 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 :: 7.709 HA :: 4.221 HB2 :: 2.104 HB3 :: 2.116 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.905 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 C 0.19 F 0.17 Y 0.11 K 0.1 I 0.07 L 0.06 G 0.05 C Shift Assignments>> C :: 176.384 CA :: 60.410 CB :: 42.826 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.332 HA :: 4.332 HB2 :: 3.224 HB3 :: 3.353 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.265 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.13 C 0.09 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 171.931 CA :: 43.668 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.507 HA2 :: 3.814 HA3 :: 4.298 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.618 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.44 V 0.38 C 0.06 I 0.06 W 0.02 C Shift Assignments>> C :: 175.631 CA :: 64.047 CB :: 31.805 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 :: 4.345 HB2 :: 1.626 HB3 :: 1.873 HD2 :: 3.193 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.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.159 CA :: 55.291 CB :: 63.583 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.081 HA :: 4.996 HB2 :: 4.207 HB3 :: 3.470 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 :: 117.870 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.29 G 0.13 K 0.08 R 0.03 C Shift Assignments>> C :: 176.185 CA :: 56.732 CB :: 43.576 CD1 :: 24.894 CD2 :: 26.135 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.273 HA :: 4.192 HB2 :: 1.489 HB3 :: 1.741 HG :: 1.698 HD11 :: 0.540 HD12 :: 0.540 HD13 :: 0.540 HD21 :: 0.514 HD22 :: 0.514 HD23 :: 0.514 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.648 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.19 D 0.15 K 0.12 C 0.1 F 0.05 Y 0.03 G 0.02 N 0.01 HN Overlap>> 1.I142 1.I142 C Shift Assignments>> C :: 176.909 CA :: 54.637 CB :: 42.786 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 :: 8.147 HA :: 5.030 HB2 :: 2.745 HB3 :: 2.415 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.306 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.16 V 0.04 C Shift Assignments>> C :: 178.435 CA :: 59.366 CB :: 36.032 CG1 :: 18.096 CG2 :: 22.949 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 :: 8.075 HA :: 4.447 HB :: 2.031 HG11 :: 0.320 HG12 :: 0.320 HG13 :: 0.320 HG21 :: 0.689 HG22 :: 0.689 HG23 :: 0.689 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 :: 113.926 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.29 C 0.12 L 0.08 F 0.06 Y 0.06 K 0.01 HN Overlap>> 1.E153 1.E153 C Shift Assignments>> C :: 178.392 CA :: 52.952 CB :: 39.864 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.425 HA :: 4.968 HB2 :: 2.407 HB3 :: 2.559 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.146 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 P 0.24 C 0.2 K 0.1 R 0.03 M 0.02 A 0.02 H 0.01 C Shift Assignments>> C :: 177.786 CA :: 50.865 CB :: 24.473 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.678 HA :: 5.139 HB1 :: 1.274 HB2 :: 1.274 HB3 :: 1.274 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.668 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.35 Q 0.11 E 0.04 K 0.01 C Shift Assignments>> C :: 176.572 CA :: 53.497 CB :: 32.560 CG :: 33.741 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.383 HA :: 5.106 HB2 :: 1.563 HB3 :: 1.950 HG2 :: 1.721 HG3 :: 1.788 HE21 :: 6.932 HE22 :: 7.439 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 :: 119.159 NE2 :: 112.172 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.D43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.26 L 0.24 K 0.12 C 0.1 R 0.09 N 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 174.850 CA :: 53.340 CB :: 42.078 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 :: 8.581 HA :: 3.462(S) HB2 :: 2.433 HB3 :: 2.814 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 :: 127.677 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.14 K 0.07 M 0.04 Q 0.03 C Shift Assignments>> C :: 174.926 CA :: 58.953 CB :: 29.794 CG :: 36.173 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.086 HA :: 3.907 HB2 :: 1.789 HB3 :: 1.959 HG2 :: 2.104 HG3 :: 2.112 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.949 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.09 G 0.06 L 0.01 C Shift Assignments>> C :: 174.808 CA :: 57.992 CB :: 30.243 CG :: 26.873 CD :: 43.284 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 :: 8.215 HA :: 4.221 HB2 :: 1.905 HB3 :: 1.880 HG2 :: 1.573 HG3 :: 1.652 HD2 :: 3.190 HD3 :: 3.180 HE :: 7.273 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 :: 117.187 NE :: 84.502 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.S46 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 :: 176.602 CA :: 59.029 CB :: 65.182 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.654 HA :: 4.318 HB2 :: 3.984 HB3 :: 3.772 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 :: 112.524 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.33 K 0.21 L 0.07 G 0.01 C Shift Assignments>> C :: 176.250 CA :: 57.220 CB :: 29.075 CG :: 24.580 CD :: 28.099 CE :: 42.244 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 :: 8.074 HA :: 3.852 HB2 :: 2.261 HB3 :: 1.906 HG2 :: 1.155 HG3 :: 1.345 HD2 :: 1.395 HD3 :: 1.492 HE2 :: 2.899 HE3 :: 2.940 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 :: 115.307 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.36 K 0.17 G 0.06 C Shift Assignments>> C :: 176.943 CA :: 56.849 CB :: 31.325 CG :: 27.708 CD :: 43.355 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 :: 7.785 HA :: 4.236 HB2 :: 1.657 HB3 :: 1.738 HG2 :: 1.585 HG3 :: 1.658 HD2 :: 3.217 HD3 :: 3.198 HE :: 7.228 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 :: 121.199 NE :: 84.562 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.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.33 C Shift Assignments>> C :: 176.118 CA :: 60.704 CB :: 38.571 CG1 :: 28.597 CG2 :: 18.293 CD1 :: 13.567 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 :: 8.522 HA :: 4.901 HB :: 1.663 HG12 :: 1.746 HG13 :: 1.755 HG21 :: 0.726 HG22 :: 0.726 HG23 :: 0.726 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 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 :: 123.998 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.26 C 0.17 R 0.07 C Shift Assignments>> C :: 179.088 CA :: 52.790 CB :: 43.974 CG :: 27.163 CD1 :: 26.267 CD2 :: 24.815 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 :: 9.480 HA :: 4.979 HB2 :: 1.497 HB3 :: 1.640 HG :: 1.597 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.950 HD22 :: 0.950 HD23 :: 0.950 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 :: 129.755 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 175.632 CA :: 62.233 CB :: 31.480 CG :: 27.558 CD :: 50.309 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 :: 4.994 HB2 :: 2.101 HB3 :: 2.074 HG2 :: 2.261 HG3 :: 2.263 HD2 :: 3.699 HD3 :: 3.706 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.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.38 L 0.15 A 0.03 C Shift Assignments>> C :: 175.255 CA :: 52.749 CB :: 46.958 CG :: 27.292 CD1 :: 23.966 CD2 :: 26.153 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 :: 9.059 HA :: 4.791 HB2 :: 1.304 HB3 :: 1.179 HG :: 1.407 HD11 :: 0.619 HD12 :: 0.619 HD13 :: 0.619 HD21 :: 0.258 HD22 :: 0.258 HD23 :: 0.258 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.715 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 T 0.47 A 0.01 C Shift Assignments>> C :: 177.312 CA :: 58.906 CB :: 72.870 CG2 :: 21.832 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 :: 6.743 HA :: 5.516 HB :: 4.243 HG21 :: 1.204 HG22 :: 1.204 HG23 :: 1.204 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 :: 107.895 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 174.889 CA :: 67.895 CB :: 31.577 CG1 :: 23.518 CG2 :: 21.583 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 :: 8.398 HA :: 3.214 HB :: 2.338 HG11 :: 1.039 HG12 :: 1.039 HG13 :: 1.039 HG21 :: 0.674 HG22 :: 0.674 HG23 :: 0.674 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 :: 123.026 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.C55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 F 0.24 Y 0.2 C 0.16 C Shift Assignments>> C :: 175.874 CA :: 61.071 CB :: 39.778 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.582 HA :: 4.089 HB2 :: 2.909 HB3 :: 3.864 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.488 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.K56 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 173.843 CA :: 60.845 CB :: 33.400 CD :: 29.602 CE :: 36.149(S) 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 :: 7.833 HA :: 3.729 HB2 :: 1.612 HB3 :: 1.618 HD2 :: 2.013 HD3 :: 2.111 HE2 :: 2.303 HE3 :: 2.397 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 :: 118.525 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.39 I 0.02 C Shift Assignments>> C :: 172.738 CA :: 60.064 CB :: 33.794 CG :: 32.873 CE :: 16.863 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 :: 8.145 HA :: 3.695 HB2 :: 1.886 HB3 :: 2.322 HG2 :: 1.727 HG3 :: 1.976 HE1 :: 1.699 HE2 :: 1.699 HE3 :: 1.699 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 :: 116.959 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 W 0.25 H 0.22 C Shift Assignments>> C :: 173.032 CA :: 60.949 CB :: 31.361 CD2 :: 118.141 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 :: 7.596 HA :: 3.813 HB2 :: 2.470 HB3 :: 2.966 HD2 :: 5.806 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.396 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 0.89 C 0.1 C Shift Assignments>> C :: 173.929 CA :: 67.440 CB :: 31.619 CG1 :: 24.352 CG2 :: 22.870 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 :: 8.486 HA :: 3.776 HB :: 2.166 HG11 :: 1.202 HG12 :: 1.202 HG13 :: 1.202 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.271 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.33 K 0.01 C Shift Assignments>> C :: 172.722 CA :: 58.656 CB :: 40.320 CD1 :: 22.861 CD2 :: 25.223 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 :: 8.837 HA :: 4.013 HB2 :: 1.581 HB3 :: 1.746 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.329 HD22 :: 0.329 HD23 :: 0.329 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 :: 121.390 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.H61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.39 C 0.33 H 0.26 C Shift Assignments>> C :: 173.239 CA :: 59.499 CB :: 27.719 CD2 :: 120.693 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 :: 7.935 HA :: 4.351 HB2 :: 3.139 HB3 :: 3.263 HD2 :: 7.189 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 :: 118.062 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 I 0.25 Y 0.17 E 0.14 F 0.1 V 0.02 M 0.01 K 0.01 C Shift Assignments>> C :: 175.640 CA :: 60.177 CB :: 36.968 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.999 HA :: 4.161 HB2 :: 3.055 HB3 :: 4.083 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.566 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.24 E 0.11 R 0.06 M 0.06 C Shift Assignments>> C :: 176.146 CA :: 56.608 CB :: 29.113 CG :: 33.704 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 :: 7.730 HA :: 4.262 HB2 :: 2.412 HB3 :: 2.254 HG2 :: 2.486 HG3 :: 2.749 HE21 :: 6.498 HE22 :: 7.398 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 :: 116.285 NE2 :: 110.004 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 177.793 CA :: 45.462 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.808 HA2 :: 3.705 HA3 :: 4.204 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.374 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.32 K 0.13 G 0.06 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> C :: 177.386 CA :: 54.089 CB :: 30.978 CG :: 26.468 CD :: 43.036 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 :: 8.153 HA :: 4.480 HB2 :: 1.745 HB3 :: 1.900 HG2 :: 1.595 HG3 :: 1.636 HD2 :: 3.194 HD3 :: 3.195 HE :: 7.410 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 :: 120.655 NE :: 84.147 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.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.21 C 0.15 Y 0.09 F 0.08 L 0.05 E 0.01 C Shift Assignments>> C :: 178.444 CA :: 53.687 CB :: 39.104 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 :: 8.456 HA :: 4.801 HB2 :: 2.565 HB3 :: 2.649 HD21 :: 6.854 HD22 :: 7.598 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 :: 122.096 ND2 :: 113.074 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.37 G 0.02 C Shift Assignments>> C :: 176.682 CA :: 56.674 CB :: 42.308 CD1 :: 132.362 CD2 :: 132.362 CE1 :: 118.933 CE2 :: 118.933 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.088 HA :: 5.236 HB2 :: 2.444 HB3 :: 2.739 HD1 :: 6.756 HD2 :: 6.756 HE1 :: 6.595 HE2 :: 6.595 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.871 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 178.124 CA :: 60.137 CB :: 71.074 CG2 :: 21.766 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 :: 8.733 HA :: 4.512 HB :: 3.957 HG21 :: 1.159 HG22 :: 1.159 HG23 :: 1.159 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 :: 115.077 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.25 K 0.09 G 0.05 R 0.01 C Shift Assignments>> C :: 174.822 CA :: 55.967 CB :: 42.968 CD1 :: 25.760 CD2 :: 24.366 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 :: 8.712 HA :: 4.434 HB2 :: 1.541 HB3 :: 1.559 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.698 HD22 :: 0.698 HD23 :: 0.698 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.266 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 176.637 CA :: 60.684 CB :: 69.390 CG2 :: 23.008 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 :: 8.117 HA :: 4.524 HB :: 4.248 HG21 :: 0.975 HG22 :: 0.975 HG23 :: 0.975 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 :: 115.872 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 175.636 CA :: 45.117 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.449 HA2 :: 3.927 HA3 :: 4.073 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.630 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.1 G 0.08 L 0.02 HN Overlap>> 1.R104 1.R104 C Shift Assignments>> C :: 176.165 CA :: 58.362 CB :: 29.994 CG :: 26.552 CD :: 43.417 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 :: 8.735 HA :: 4.147 HB2 :: 1.788 HB3 :: 1.899 HG2 :: 1.629 HG3 :: 1.644 HD2 :: 3.176 HD3 :: 3.186 HE :: 7.222 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 :: 122.473 NE :: 84.796 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.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.19 C 0.13 L 0.11 F 0.11 Y 0.1 K 0.03 C Shift Assignments>> C :: 175.356 CA :: 54.393 CB :: 40.042 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 :: 8.479 HA :: 4.742 HB2 :: 2.660 HB3 :: 2.770 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.997 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 179.606 CA :: 59.820 CB :: 64.714 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.853 HA :: 4.186 HB2 :: 3.821 HB3 :: 4.015 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.728 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.C75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.2 E 0.15 F 0.12 N 0.09 I 0.04 D 0.04 M 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 180.628 CA :: 56.229 CB :: 37.640 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.806 HA :: 4.963 HB2 :: 2.653 HB3 :: 2.951 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.198 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 178.310 CA :: 61.730 CB :: 69.320 CG2 :: 21.625 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 :: 8.566 HA :: 4.352 HB :: 3.940 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.976 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.24 A 0.1 C Shift Assignments>> C :: 177.113 CA :: 52.598 CB :: 40.621 CG :: 26.396 CD1 :: 25.319 CD2 :: 22.803 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 :: 8.535 HA :: 4.476 HB2 :: 1.424 HB3 :: 1.625 HG :: 1.693 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 HD21 :: 0.731 HD22 :: 0.731 HD23 :: 0.731 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 :: 129.094 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.420 CA :: 62.797 CB :: 31.979 CG :: 27.567 CD :: 50.740 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 :: 4.346 HB2 :: 1.887 HB3 :: 2.256 HG2 :: 2.046 HG3 :: 1.962 HD2 :: 3.547 HD3 :: 3.660 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.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 C 0.02 HN Overlap>> 1.E110 1.E110 C Shift Assignments>> C :: 173.862 CA :: 52.099 CB :: 19.034 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.418 HA :: 4.307 HB1 :: 1.389 HB2 :: 1.389 HB3 :: 1.389 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.434 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.C130 1.C130 C Shift Assignments>> C :: 177.855 CA :: 58.328 CB :: 63.781 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.558 HA :: 4.438 HB2 :: 3.897 HB3 :: 3.877 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 :: 116.943 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.15 C 0.03 L 0.02 C Shift Assignments>> C :: 174.777 CA :: 51.919 CB :: 20.057 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.289 HA :: 4.433 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.964 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.08 M 0.07 I 0.06 Q 0.04 C Shift Assignments>> C :: 175.761 CA :: 56.767 CB :: 29.926 CG :: 36.406 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 :: 8.495 HA :: 4.226 HB2 :: 1.978 HB3 :: 1.952 HG2 :: 2.283 HG3 :: 2.207 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 :: 120.787 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.1 G 0.01 C Shift Assignments>> C :: 177.134 CA :: 54.114 CB :: 34.639 CG :: 24.706 CD :: 28.123 CE :: 42.242 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.428 HA :: 4.461 HB2 :: 1.652 HB3 :: 1.719 HG2 :: 1.404 HG3 :: 1.430 HD2 :: 1.619 HD3 :: 1.707 HE2 :: 3.005 HE3 :: 2.950 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 :: 123.413 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.1 C 0.04 L 0.02 C Shift Assignments>> C :: 174.966 CA :: 50.757 CB :: 20.450 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.274 HA :: 4.575 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.024 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.C85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.823 HA :: 4.137 HB2 :: 2.788 HB3 :: 3.266 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.829 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 177.873 CA :: 45.101 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.586 HA3 :: 4.386 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.02 C Shift Assignments>> C :: 175.509 CA :: 50.678 CB :: 18.997 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.389 HA :: 4.600 HB1 :: 1.302 HB2 :: 1.302 HB3 :: 1.302 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.777 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.C88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 P 0.24 M 0.16 Q 0.08 K 0.06 N 0.02 H 0.02 W 0.01 R 0.01 E 0.01 C Shift Assignments>> C :: 178.654 CA :: 51.490 CB :: 34.046 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.899 HA :: 4.612 HB2 :: 2.588 HB3 :: 2.501 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.189 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.P89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.54 C 0.32 K 0.09 G 0.01 C Shift Assignments>> CA :: 57.973 CB :: 42.148 CD1 :: 24.802 CD2 :: 25.266 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> HA :: 3.899 HB2 :: 1.444 HB3 :: 1.558 HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) FLAG polypeptide(L) 1.W91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 178.366 CB :: 27.884 CD1 :: 126.966 CE3 :: 119.615 CZ2 :: 116.092 CZ3 :: 121.779 CH2 :: 125.081 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 :: 5.862 HD1 :: 6.922 HE1 :: 10.760 HE3 :: 7.432 HZ2 :: 7.640 HZ3 :: 6.871 HH2 :: 7.228 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 :: 108.538 NE1 :: 134.806 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.G92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.13 C 0.09 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 180.778(S) CA :: 43.644 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.828 HA2 :: 3.130 HA3 :: 5.392(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.812 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 G 0.33 K 0.03 A 0.03 C Shift Assignments>> C :: 177.641 CA :: 54.000 CB :: 35.943 CG :: 23.629 CE :: 43.965 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.237 HA :: 4.767 HB2 :: 1.484 HB3 :: 1.754 HG2 :: 1.031 HG3 :: 0.890 HE2 :: 2.974 HE3 :: 2.977 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 :: 117.042 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.C94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.28 N 0.24 D 0.12 L 0.05 C 0.05 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.02 W 0.01 Y 0.01 P 0.01 F 0.01 HN Overlap>> 1.E105 1.E105 C Shift Assignments>> CA :: 52.478 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.909 HA :: 4.539 HB2 :: 2.864 HB3 :: 3.417 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.007 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.D95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.A96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.E97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.S98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.S99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.44 C 0.39 R 0.13 M 0.01 G 0.01 C Shift Assignments>> C :: 176.651 CA :: 54.441 CB :: 34.985 CG :: 24.657 CD :: 28.850 CE :: 42.050 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.789 HB2 :: 1.855 HB3 :: 1.709 HG2 :: 1.367 HG3 :: 1.373 HD2 :: 1.527 HD3 :: 1.607 HE2 :: 2.963 HE3 :: 2.940 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) FLAG polypeptide(L) 1.C101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.18 D 0.18 K 0.17 F 0.13 C 0.12 Y 0.1 R 0.04 N 0.03 I 0.01 C Shift Assignments>> C :: 176.854 CA :: 55.856 CB :: 41.189 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.227 HA :: 5.118 HB2 :: 2.872 HB3 :: 2.465 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.594 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.22 I 0.02 A 0.01 C Shift Assignments>> C :: 176.077 CA :: 59.012 CB :: 34.826 CG1 :: 21.890 CG2 :: 18.572 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 :: 9.493 HA :: 4.790 HB :: 2.394 HG11 :: 0.945 HG12 :: 0.945 HG13 :: 0.945 HG21 :: 0.745 HG22 :: 0.745 HG23 :: 0.745 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 :: 118.228 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.C103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.22 Y 0.14 D 0.1 F 0.1 E 0.06 L 0.02 M 0.02 I 0.01 C Shift Assignments>> C :: 175.398 CA :: 54.659 CB :: 38.065 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.350 HA :: 4.791 HB2 :: 2.672 HB3 :: 3.373 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.298 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.R104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 M 0.31 E 0.15 Q 0.14 K 0.02 HN Overlap>> 1.R72 1.R72 C Shift Assignments>> C :: 174.598 CA :: 57.130 CB :: 34.262 CG :: 32.262 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 :: 8.829 HA :: 4.169 HB2 :: 1.633 HB3 :: 1.616 HG2 :: -0.336(S) HG3 :: 1.413 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 :: 122.463 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.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.31 M 0.12 K 0.11 Q 0.1 I 0.01 HN Overlap>> 1.C94 1.C94 C Shift Assignments>> C :: 173.777 CA :: 55.550 CB :: 30.137 CG :: 35.737 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 :: 8.879 HA :: 4.377 HB2 :: 2.182 HB3 :: 1.610 HG2 :: 2.220 HG3 :: 2.323 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.985 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.25 I 0.06 C 0.03 C Shift Assignments>> C :: 172.128 CA :: 55.734 CB :: 17.901 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.049 HA :: 3.911 HB1 :: 1.458 HB2 :: 1.458 HB3 :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.195 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.714 CA :: 59.701 CB :: 62.472 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.177 HA :: 4.213 HB2 :: 3.840 HB3 :: 4.015 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.055 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.39 M 0.07 K 0.06 I 0.04 Q 0.01 C Shift Assignments>> C :: 174.454 CA :: 55.123 CB :: 29.937 CG :: 36.958 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 :: 7.904 HA :: 4.474 HB2 :: 2.227 HB3 :: 2.197 HG2 :: 2.176 HG3 :: 2.180 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.273 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.C109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 C 0.16 F 0.12 L 0.12 K 0.11 Y 0.08 G 0.04 I 0.02 D 0.01 HN Overlap>> 1.K123 1.K123 C Shift Assignments>> CA :: 59.022 CB :: 43.080 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.669 HA :: 4.299 HB2 :: 3.216 HB3 :: 2.787 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.896 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.09 I 0.07 K 0.05 Q 0.02 HN Overlap>> 1.A79 1.A79 C Shift Assignments>> C :: 176.168 CA :: 57.346 CB :: 30.412 CG :: 36.504 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 :: 8.430 HA :: 4.267 HB2 :: 2.068 HB3 :: 1.894 HG2 :: 2.200 HG3 :: 2.275 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 :: 125.331 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.11 M 0.06 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.158 CA :: 55.785 CB :: 29.532 CG :: 36.207 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 :: 8.037 HA :: 4.365 HB2 :: 1.939 HB3 :: 1.932 HG2 :: 2.210 HG3 :: 2.148 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.107 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.3 M 0.13 Q 0.11 K 0.08 I 0.04 C Shift Assignments>> C :: 174.371 CA :: 58.456 CB :: 30.664 CG :: 35.250 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 :: 8.494 HA :: 4.144 HB2 :: 1.970 HB3 :: 2.089 HG2 :: 2.474 HG3 :: 2.347 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 :: 123.682 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.24 R 0.24 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 177.819 CA :: 44.186 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.174 HA2 :: 3.517 HA3 :: 4.379 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.813 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.31 C 0.28 C Shift Assignments>> C :: 176.472 CA :: 60.066 CB :: 39.557 CD1 :: 130.763 CD2 :: 130.763 CE1 :: 132.698 CE2 :: 132.698 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 :: 10.104 HA :: 4.167 HB2 :: 3.069 HB3 :: 2.711 HD1 :: 7.149 HD2 :: 7.149 HE1 :: 7.640 HE2 :: 7.640 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 :: 120.160 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.762 CA :: 58.732 CB :: 63.308 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.518 HA :: 4.716 HB2 :: 3.624 HB3 :: 3.774 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 :: 116.412 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.45 C Shift Assignments>> C :: 179.741 CA :: 59.779 CB :: 41.123 CG1 :: 25.131 CG2 :: 18.911 CD1 :: 15.487 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 :: 8.907 HA :: 4.246 HB :: 2.247 HG12 :: 1.166 HG13 :: 1.181 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 HD11 :: 0.606 HD12 :: 0.606 HD13 :: 0.606 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 :: 119.068 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.C117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 D 0.2 K 0.17 C 0.1 F 0.09 Y 0.07 R 0.06 N 0.04 C Shift Assignments>> C :: 178.104 CA :: 55.131 CB :: 41.531 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.737 HA :: 5.219 HB2 :: 2.876 HB3 :: 2.904 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.412 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.28 C Shift Assignments>> C :: 178.018 CA :: 59.495 CB :: 36.047 CG1 :: 22.447 CG2 :: 21.515 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 :: 8.814 HA :: 4.990 HB :: 1.906 HG11 :: 0.784 HG12 :: 0.784 HG13 :: 0.784 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 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 :: 126.373 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 M 0.21 Q 0.03 K 0.03 I 0.01 C Shift Assignments>> C :: 176.652 CA :: 55.127 CB :: 31.260 CG :: 36.227 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 :: 9.276 HA :: 4.800 HB2 :: 1.747 HB3 :: 1.937 HG2 :: 2.033 HG3 :: 1.704 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 :: 125.194 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 176.416 CA :: 60.983 CB :: 33.757 CG1 :: 20.255 CG2 :: 21.361 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 :: 8.542 HA :: 4.320 HB :: 1.956 HG11 :: 0.848 HG12 :: 0.848 HG13 :: 0.848 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 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 :: 126.284 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.N121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.25 Y 0.12 E 0.09 F 0.07 D 0.06 M 0.03 I 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 176.567 CA :: 54.385 CB :: 37.508 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 :: 9.609 HA :: 4.338 HB2 :: 2.773 HB3 :: 3.039 HD21 :: 6.934 HD22 :: 7.671 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 :: 126.566 ND2 :: 113.557 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 178.376 CA :: 45.485 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.971 HA2 :: 3.557 HA3 :: 4.096 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.498 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.14 M 0.01 G 0.01 HN Overlap>> 1.C109 1.C109 C Shift Assignments>> C :: 176.606 CA :: 54.606 CB :: 35.021 CG :: 24.548 CD :: 28.968 CE :: 42.235 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 :: 7.673 HA :: 4.686 HB2 :: 1.831 HB3 :: 1.716 HG2 :: 1.385 HG3 :: 1.334 HD2 :: 1.676 HD3 :: 1.821 HE2 :: 2.975 HE3 :: 2.985 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 :: 120.928 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.32 M 0.08 I 0.06 K 0.01 C Shift Assignments>> C :: 175.696 CA :: 55.934 CB :: 31.010 CG :: 37.902 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 :: 8.746 HA :: 5.039 HB2 :: 1.943 HB3 :: 1.844 HG2 :: 2.035 HG3 :: 2.223 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 :: 125.732 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Q125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.41 Q 0.09 E 0.03 C Shift Assignments>> C :: 177.635 CA :: 54.781 CB :: 33.185 CG :: 33.530 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.268 HA :: 4.635 HB2 :: 2.070 HB3 :: 1.971 HG2 :: 2.292 HG3 :: 2.072 HE21 :: 6.862 HE22 :: 7.267 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.595 NE2 :: 111.393 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.T126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.08 C Shift Assignments>> C :: 176.791 CA :: 62.757 CB :: 69.067 CG2 :: 22.869 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 :: 8.775 HA :: 5.291 HB :: 4.029 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 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 :: 123.755 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.M127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 A 0.26 M 0.23 I 0.04 C Shift Assignments>> C :: 178.502 CA :: 54.887 CB :: 37.312 CG :: 31.500 CE :: 16.956 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 :: 9.171 HA :: 4.814 HB2 :: 1.871 HB3 :: 2.233 HG2 :: 2.469 HG3 :: 2.385 HE1 :: 1.827 HE2 :: 1.827 HE3 :: 1.827 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 126.165 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.S128 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 :: 176.138 CA :: 57.461 CB :: 65.593 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.852 HA :: 5.049 HB2 :: 3.980 HB3 :: 4.636 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 :: 115.644 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.78 I 0.12 K 0.07 E 0.01 C Shift Assignments>> C :: 173.164 CA :: 60.868 CB :: 33.334 CG :: 39.789 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 :: 8.651 HA :: 3.992 HB2 :: 2.705 HB3 :: 2.265 HG2 :: 3.071(S) HG3 :: 2.268 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 :: 120.113 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.C130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 F 0.17 R 0.16 I 0.13 G 0.11 Y 0.1 K 0.05 L 0.02 HN Overlap>> 1.S80 1.S80 C Shift Assignments>> C :: 177.415 CA :: 61.756 CB :: 42.956 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.592 HA :: 4.147 HB2 :: 3.060 HB3 :: 3.673 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.974 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.29 K 0.03 M 0.01 HN Overlap>> 1.C14 1.C14 C Shift Assignments>> C :: 173.282 CA :: 59.854 CB :: 29.563 CG :: 36.898 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 :: 8.290 HA :: 3.777 HB2 :: 2.233 HB3 :: 2.097 HG2 :: 2.384 HG3 :: 2.398 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.488 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.4 C 0.05 L 0.02 V 0.02 I 0.01 C Shift Assignments>> C :: 172.567 CA :: 55.073 CB :: 19.535 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.714 HA :: 3.994 HB1 :: 1.276 HB2 :: 1.276 HB3 :: 1.276 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.818 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 175.740 CA :: 46.362 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.750 HA2 :: 3.017 HA3 :: 2.829 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.247 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.16 I 0.1 C 0.02 HN Overlap>> 1.V144 1.V144 C Shift Assignments>> C :: 172.141 CA :: 56.205 CB :: 17.346 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.788 HA :: 4.147 HB1 :: 1.610 HB2 :: 1.610 HB3 :: 1.610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.541 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.39 K 0.07 C Shift Assignments>> CA :: 58.123 CB :: 41.594 CD1 :: 25.673 CD2 :: 22.834 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 :: 7.768 HA :: 3.973 HB2 :: 1.178 HB3 :: 1.956 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 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 :: 119.450 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.34 G 0.19 K 0.04 L 0.01 HN Overlap>> 1.Q140 1.Q140 C Shift Assignments>> CA :: 58.827 CB :: 30.079 CG :: 25.898 CD :: 44.102 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 :: 7.872 HA :: 4.396 HB2 :: 1.608 HB3 :: 1.678 HG2 :: 1.504 HG3 :: 1.520 HD2 :: 3.032 HD3 :: 3.000 HE :: 7.332 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 :: 120.254 NE :: 83.808 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.C137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 Y 0.23 C 0.22 F 0.17 E 0.07 C Shift Assignments>> C :: 175.515 CA :: 59.840 CB :: 37.965 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.598 HA :: 4.177 HB2 :: 3.695 HB3 :: 3.055 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.719 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.R138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.36 K 0.13 G 0.08 C Shift Assignments>> C :: 175.667 CA :: 56.619 CB :: 30.156 CG :: 28.656 CD :: 43.447 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 :: 7.586 HA :: 4.324 HB2 :: 1.935 HB3 :: 2.147 HG2 :: 1.767 HG3 :: 1.962 HD2 :: 3.249 HD3 :: 3.222 HE :: 7.229 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 :: 117.401 NE :: 85.084 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.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 177.271 CA :: 45.415 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.896 HA2 :: 3.713 HA3 :: 4.364 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.237 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Q140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.25 C 0.24 E 0.1 M 0.05 R 0.05 HN Overlap>> 1.R136 1.R136 C Shift Assignments>> C :: 176.478 CA :: 54.994 CB :: 29.023 CG :: 33.883 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 :: 7.863 HA :: 4.311 HB2 :: 1.647 HB3 :: 1.809 HG2 :: 2.205 HG3 :: 2.206 HE21 :: 6.862 HE22 :: 7.504 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 :: 120.290 NE2 :: 112.884 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.808 CA :: 58.026 CB :: 62.709 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.661 HA :: 4.423 HB2 :: 3.794 HB3 :: 3.827 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.535 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.45 A 0.01 HN Overlap>> 1.D38 1.D38 C Shift Assignments>> C :: 176.744 CA :: 58.736 CB :: 41.193 CG1 :: 26.011 CG2 :: 17.969 CD1 :: 14.295 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 :: 8.243 HA :: 4.924 HB :: 1.661 HG12 :: 1.314 HG13 :: 0.972 HG21 :: 0.725 HG22 :: 0.725 HG23 :: 0.725 HD11 :: 0.657 HD12 :: 0.657 HD13 :: 0.657 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 :: 122.365 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.S143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.884 CA :: 56.564 CB :: 64.759 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.067 HA :: 4.759 HB2 :: 3.650 HB3 :: 3.750 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 :: 117.363 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.V144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 HN Overlap>> 1.A134 1.A134 C Shift Assignments>> C :: 176.249 CA :: 63.269 CB :: 31.649 CG1 :: 21.753 CG2 :: 21.708 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 :: 8.772 HA :: 4.209 HB :: 1.969 HG11 :: 0.748 HG12 :: 0.748 HG13 :: 0.748 HG21 :: 0.747 HG22 :: 0.747 HG23 :: 0.747 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.482 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.T145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 175.915 CA :: 61.797 CB :: 68.977 CG2 :: 22.625 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.126 HA :: 4.353 HB :: 4.141 HG21 :: 1.002 HG22 :: 1.002 HG23 :: 1.002 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 :: 119.758 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.881 CA :: 57.014 CB :: 63.395 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.744 HA :: 4.519 HB2 :: 3.797 HB3 :: 3.876 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 :: 115.095 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.I147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.35 V 0.03 C Shift Assignments>> C :: 179.311 CA :: 62.385 CB :: 36.029 CG1 :: 25.194 CG2 :: 18.863 CD1 :: 12.500 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 :: 8.114 HA :: 4.281 HB :: 1.896 HG12 :: 1.074 HG13 :: 0.808 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 HD11 :: -0.098 HD12 :: -0.098 HD13 :: -0.098 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 :: 117.134 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.3 K 0.19 G 0.06 C Shift Assignments>> C :: 180.522 CA :: 54.171 CB :: 31.006 CG :: 28.210 CD :: 43.101 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 :: 8.104 HA :: 5.048 HB2 :: 1.937 HB3 :: 1.423 HG2 :: 1.487 HG3 :: 1.656 HD2 :: 3.196 HD3 :: 3.130 HE :: 7.273 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 :: 123.985 NE :: 84.538 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.P149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.39 V 0.38 C 0.09 I 0.05 W 0.03 R 0.01 C Shift Assignments>> C :: 175.544 CA :: 63.167 CB :: 32.194 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 :: 3.779 HB2 :: 2.325 HB3 :: 1.639 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.C150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.18 D 0.17 Y 0.14 F 0.11 L 0.04 E 0.02 I 0.01 C Shift Assignments>> C :: 176.888 CA :: 54.541 CB :: 38.773 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.077 HA :: 4.177 HB2 :: 2.491 HB3 :: 3.200 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.898 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.02 HN Overlap>> 1.Q9 1.Q9 C Shift Assignments>> C :: 174.979 CA :: 52.476 CB :: 19.220 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.500 HA :: 4.238 HB1 :: 1.334 HB2 :: 1.334 HB3 :: 1.334 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.242 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.A152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.02 C Shift Assignments>> C :: 174.317 CA :: 52.492 CB :: 19.261 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.089 HA :: 4.242 HB1 :: 1.333 HB2 :: 1.333 HB3 :: 1.333 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.062 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.1 K 0.08 Q 0.05 I 0.04 HN Overlap>> 1.C40 1.C40 C Shift Assignments>> C :: 175.324 CA :: 56.561 CB :: 30.235 CG :: 36.177 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 :: 8.439 HA :: 4.309 HB2 :: 1.935 HB3 :: 2.064 HG2 :: 2.279 HG3 :: 2.243 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 :: 120.047 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.T154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 178.331 CA :: 61.880 CB :: 69.905 CG2 :: 21.448 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 :: 8.171 HA :: 4.304 HB :: 4.202 HG21 :: 1.173 HG22 :: 1.173 HG23 :: 1.173 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 :: 115.386 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.Q155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 E 0.18 K 0.15 M 0.14 R 0.01 I 0.01 C Shift Assignments>> C :: 171.506 CA :: 57.392 CB :: 30.372 CG :: 34.230 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 :: 8.013 HA :: 4.157 HB2 :: 2.087 HB3 :: 1.902 HG2 :: 2.246 HG3 :: 2.263 HE21 :: 6.785 HE22 :: 7.509 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.654 NE2 :: 112.438 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 147 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 147 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 155 #Suspicious: 0 C Shift Results: #Consistent: 576 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 930 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 159 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q15 HB2 = -0.164(S), Expected = 2.05, Std = 0.2800, ChiSquare = 2.6336e-15 1.Q15 HB3 = 0.273(S), Expected = 2.04, Std = 0.2900, ChiSquare = 1.1074e-09 1.R16 HD2 = 2.326(S), Expected = 3.13, Std = 0.2300, ChiSquare = 4.7290e-04 1.R16 HD3 = 2.099(S), Expected = 3.13, Std = 0.2200, ChiSquare = 2.7810e-06 1.E18 HG2 = 1.489(S), Expected = 2.31, Std = 0.2100, ChiSquare = 9.2478e-05 1.D43 HA = 3.462(S), Expected = 4.61, Std = 0.3100, ChiSquare = 2.1288e-04 1.K56 Typing: Mistyped 1.K56 CE = 36.149(S), Expected = 41.78, Std = 0.9800, ChiSquare = 9.1423e-09 1.G92 C = 180.778(S), Expected = 174.04, Std = 1.9400, ChiSquare = 5.1430e-04 1.G92 HA3 = 5.392(S), Expected = 3.93, Std = 0.4000, ChiSquare = 2.5718e-04 1.R104 HG2 = -0.336(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.2814e-12 1.E129 HG2 = 3.071(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.9030e-04