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 :: 43.287 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.879 HA3 :: 3.879 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: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.344 CB :: 64.002 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.477 HB2 :: 3.826 HB3 :: 3.826 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) FLAG polypeptide(L) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.56 C 0.43 C Shift Assignments>> C :: 174.681 CA :: 56.231 CB :: 29.839 CD2 :: 119.836 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>> HA :: 4.614 HB2 :: 3.048 HB3 :: 3.118 HD2 :: 7.083 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.36 A 0.17 C Shift Assignments>> C :: 175.286 CA :: 55.165 CB :: 32.988 CG :: 31.815 CE :: 17.007 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 :: 8.285 HA :: 4.416 HB2 :: 1.884 HB3 :: 1.978 HG2 :: 2.439 HG3 :: 2.407 HE1 :: 2.034 HE2 :: 2.034 HE3 :: 2.034 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.559 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.16 C 0.11 K 0.07 F 0.04 Y 0.03 R 0.03 C Shift Assignments>> C :: 175.239 CA :: 52.238 CB :: 41.471 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 :: 8.362 HA :: 4.844 HB2 :: 2.775 HB3 :: 2.598 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 :: 124.060 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.13 C Shift Assignments>> C :: 177.388 CA :: 64.084 CB :: 32.022 CG :: 27.315 CD :: 50.927 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 :: 4.327 HB2 :: 2.306 HB3 :: 1.979 HG2 :: 2.028 HG3 :: 2.028 HD2 :: 3.924 HD3 :: 3.844 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.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.27 C 0.02 C Shift Assignments>> C :: 178.462 CA :: 53.223 CB :: 18.801 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.406 HA :: 4.239 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.868 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.22 E 0.14 M 0.08 R 0.03 C Shift Assignments>> C :: 176.124 CA :: 56.101 CB :: 29.456 CG :: 34.066 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 :: 7.985 HA :: 4.264 HB2 :: 2.158 HB3 :: 2.048 HG2 :: 2.365 HG3 :: 2.365 HE21 :: 6.830 HE22 :: 7.667 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.727 NE2 :: 112.854 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.28 R 0.06 G 0.01 A 0.01 C Shift Assignments>> C :: 177.923 CA :: 55.454 CB :: 42.188 CG :: 26.874 CD1 :: 25.016 CD2 :: 23.444 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 :: 8.102 HA :: 4.394 HB2 :: 1.715 HB3 :: 1.618 HG :: 1.675 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.881 HD22 :: 0.881 HD23 :: 0.881 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 :: 122.045 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.742 CA :: 62.974 CB :: 69.759 CG2 :: 21.778 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.902 HA :: 4.258 HB :: 4.348 HG21 :: 1.231 HG22 :: 1.231 HG23 :: 1.231 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.859 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.12 K 0.08 M 0.04 Q 0.04 C Shift Assignments>> C :: 177.577 CA :: 58.496 CB :: 29.751 CG :: 36.238 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 :: 8.594 HA :: 4.213 HB2 :: 2.064 HB3 :: 2.064 HG2 :: 2.311 HG3 :: 2.311 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.144 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.18 C 0.15 D 0.14 L 0.12 K 0.08 N 0.04 I 0.03 R 0.01 HN Overlap>> 1.L22 1.L22 C Shift Assignments>> C :: 178.623 CA :: 56.589 CB :: 40.332 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.244 HA :: 4.419 HB2 :: 2.699 HB3 :: 2.699 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.922 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.124 CA :: 63.562 CB :: 37.830 CG1 :: 28.418 CG2 :: 18.035 CD1 :: 12.962 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 :: 8.092 HA :: 3.987 HB :: 1.960 HG12 :: 1.216 HG13 :: 1.525 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 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 :: 122.909 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> C :: 177.358 CA :: 66.244 CB :: 68.629 CG2 :: 21.978 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 :: 8.045 HA :: 4.040 HB :: 4.293 HG21 :: 1.288 HG22 :: 1.288 HG23 :: 1.288 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.529 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.29 G 0.22 K 0.04 C Shift Assignments>> C :: 177.719 CA :: 60.312 CB :: 30.591 CG :: 29.183 CD :: 43.942 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 :: 7.984 HA :: 3.974 HB2 :: 2.022 HB3 :: 1.771 HG2 :: 1.488 HG3 :: 1.488 HD2 :: 3.237 HD3 :: 3.092 HE :: 6.703 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 :: 121.521 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.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.35 C Shift Assignments>> C :: 177.690 CA :: 61.568 CB :: 37.543 CD1 :: 133.076 CD2 :: 133.076 CE1 :: 117.927 CE2 :: 117.927 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.948 HA :: 4.045 HB2 :: 3.139 HB3 :: 3.026 HD1 :: 6.724 HD2 :: 6.724 HE1 :: 6.578 HE2 :: 6.578 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.911 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 179.000 CA :: 61.454 CB :: 37.483 CD1 :: 132.321 CD2 :: 132.321 CE1 :: 118.124 CE2 :: 118.124 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 :: 8.143 HA :: 4.049 HB2 :: 3.134 HB3 :: 3.026 HD1 :: 7.249 HD2 :: 7.249 HE1 :: 6.878 HE2 :: 6.878 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 :: 117.066 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.37 R 0.04 C Shift Assignments>> C :: 178.998 CA :: 58.097 CB :: 41.814 CG :: 26.762 CD1 :: 23.302 CD2 :: 24.875 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 :: 7.976 HA :: 4.203 HB2 :: 1.701 HB3 :: 1.739 HG :: 1.458 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 HD21 :: 0.629 HD22 :: 0.629 HD23 :: 0.629 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.012 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 P 0.45 C 0.05 V 0.02 HN Overlap>> 1.M108 1.M108 C Shift Assignments>> C :: 176.663 CA :: 64.973 CB :: 25.966 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.163 HA :: 3.783 HB2 :: 2.970 HB3 :: 2.055 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 :: 117.202 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.34 R 0.02 G 0.01 HN Overlap>> 1.Q94 1.Q94 C Shift Assignments>> C :: 179.392 CA :: 58.319 CB :: 41.944 CG :: 26.274 CD1 :: 24.424 CD2 :: 23.821 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.863 HA :: 3.681 HB2 :: 1.422 HB3 :: 1.422 HG :: 1.257 HD11 :: 0.637 HD12 :: 0.637 HD13 :: 0.637 HD21 :: 0.693 HD22 :: 0.693 HD23 :: 0.693 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.833 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>> C 0.27 K 0.25 Q 0.23 R 0.09 E 0.07 M 0.03 I 0.01 HN Overlap>> 1.V63 1.V63 C Shift Assignments>> C :: 178.326 CA :: 58.704 CB :: 28.630 CG :: 33.316 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 :: 7.658 HA :: 3.909 HB2 :: 2.206 HB3 :: 2.138 HG2 :: 2.312 HG3 :: 2.371 HE21 :: 6.714 HE22 :: 7.656 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.958 NE2 :: 113.615 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.33 R 0.24 G 0.04 K 0.01 HN Overlap>> 1.E98 1.E98 1.D12 1.D12 C Shift Assignments>> C :: 179.438 CA :: 58.320 CB :: 42.816 CG :: 27.388 CD1 :: 26.903 CD2 :: 23.655 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 :: 8.214 HA :: 4.150 HB2 :: 2.137 HB3 :: 1.365 HG :: 1.805 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 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 :: 119.829 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.3 G 0.17 I 0.06 K 0.05 C Shift Assignments>> C :: 179.448 CA :: 60.910 CB :: 29.853 CD :: 43.587 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 :: 8.722 HA :: 3.946 HB2 :: 2.009 HB3 :: 1.800 HG2 :: 1.485 HG3 :: 1.619 HD2 :: 3.096 HD3 :: 3.231 HE :: 7.881 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 :: 117.690 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.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 K 0.22 E 0.12 R 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 178.951 CA :: 58.785 CB :: 28.263 CG :: 34.140 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 :: 7.804 HA :: 4.015 HB2 :: 2.272 HB3 :: 2.063 HG2 :: 2.383 HG3 :: 2.561 HE21 :: 6.838 HE22 :: 7.359 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.686 NE2 :: 111.270 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 C 0.16 L 0.09 K 0.09 D 0.07 I 0.06 N 0.01 R 0.01 C Shift Assignments>> C :: 179.476 CA :: 57.753 CB :: 40.432 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 :: 8.393 HA :: 4.414 HB2 :: 3.075 HB3 :: 2.467 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 :: 122.118 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 180.320 CA :: 65.902 CB :: 38.826 CG2 :: 17.655 CD1 :: 14.855 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 :: 8.737 HA :: 3.761 HB :: 2.008 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 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 :: 122.668 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.Q47 1.Q47 C Shift Assignments>> C :: 176.073 CA :: 67.080 CB :: 31.450 CG1 :: 21.477 CG2 :: 23.748 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.923 HA :: 3.077 HB :: 1.985 HG11 :: 0.851 HG12 :: 0.851 HG13 :: 0.851 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 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 :: 121.194 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.2 C 0.03 L 0.01 C Shift Assignments>> C :: 178.366 CA :: 52.572 CB :: 19.616 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.892 HA :: 4.286 HB1 :: 1.516 HB2 :: 1.516 HB3 :: 1.516 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.103 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.596 CA :: 45.157 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.670 HA2 :: 4.181 HA3 :: 3.924 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.038 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.33 K 0.23 G 0.05 C Shift Assignments>> C :: 175.874 CA :: 57.987 CB :: 31.218 CG :: 29.307 CD :: 43.146 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 :: 7.972 HA :: 4.185 HB2 :: 1.911 HB3 :: 1.702 HG2 :: 1.543 HG3 :: 1.625 HD2 :: 3.307 HD3 :: 3.165 HE :: 7.395 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 :: 118.333 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.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 G 0.28 C 0.13 R 0.03 A 0.01 C Shift Assignments>> C :: 173.324 CA :: 50.930 CB :: 43.480 CG :: 26.976 CD1 :: 26.051 CD2 :: 24.253 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 :: 6.696 HA :: 4.939 HB2 :: 1.436 HB3 :: 1.368 HG :: 1.444 HD11 :: 1.026 HD12 :: 1.026 HD13 :: 1.026 HD21 :: 0.966 HD22 :: 0.966 HD23 :: 0.966 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.681 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 176.694 CA :: 63.123 CB :: 32.022 CG :: 27.345 CD :: 51.130 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 :: 4.411 HB2 :: 1.967 HB3 :: 2.266 HG2 :: 2.127 HG3 :: 1.949 HD2 :: 3.749 HD3 :: 3.749 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.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.17 M 0.15 R 0.12 E 0.09 H 0.09 Q 0.07 V 0.06 I 0.01 C Shift Assignments>> C :: 173.523 CA :: 57.890 CB :: 32.282 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.273 HA :: 4.834 HB2 :: 2.806 HB3 :: 2.776 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 :: 119.113 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.S34 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 :: 173.709 CA :: 57.256 CB :: 65.433 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.738 HA :: 4.527 HB2 :: 4.410 HB3 :: 4.101 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.212 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 176.433 CA :: 62.623 CB :: 39.128 CD1 :: 132.321 CD2 :: 132.321 CE1 :: 128.892 CE2 :: 128.892 CZ :: 130.729 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.027 HA :: 4.047 HB2 :: 3.322 HB3 :: 3.087 HD1 :: 7.246 HD2 :: 7.246 HE1 :: 6.977 HE2 :: 6.977 HZ :: 7.130 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.209 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.03 C 0.03 V 0.01 C Shift Assignments>> C :: 181.064 CA :: 55.300 CB :: 18.423 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.631 HA :: 3.926 HB1 :: 1.500 HB2 :: 1.500 HB3 :: 1.500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.977 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 175.630 CA :: 66.294 CB :: 68.298 CG2 :: 23.991 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.886 HA :: 3.859 HB :: 4.216 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 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 :: 117.602 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.31 R 0.17 G 0.05 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> C :: 180.666 CA :: 58.166 CB :: 43.034 CG :: 27.527 CD1 :: 25.555 CD2 :: 24.120 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 :: 8.740 HA :: 3.904 HB2 :: 2.001 HB3 :: 1.050 HG :: 1.465 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 0.955 HD22 :: 0.955 HD23 :: 0.955 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 :: 122.945 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.45 C 0.02 I 0.01 C Shift Assignments>> C :: 178.461 CA :: 53.839 CB :: 17.406 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.151 HA :: 3.776 HB1 :: 0.993 HB2 :: 0.993 HB3 :: 0.993 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.752 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.33 K 0.11 G 0.04 C Shift Assignments>> C :: 180.428 CA :: 57.978 CB :: 42.699 CD1 :: 23.703 CD2 :: 25.801 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 :: 7.801 HA :: 3.892 HB2 :: 1.627 HB3 :: 1.916 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.943 HD22 :: 0.943 HD23 :: 0.943 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.699 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 L 0.24 C Shift Assignments>> C :: 179.132 CA :: 58.696 CB :: 39.102 CG :: 26.690 CD1 :: 26.381 CD2 :: 22.417 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 :: 9.153 HA :: 4.181 HB2 :: 1.630 HB3 :: 1.822 HG :: 1.755 HD11 :: 0.559 HD12 :: 0.559 HD13 :: 0.559 HD21 :: 0.347 HD22 :: 0.347 HD23 :: 0.347 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.687 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 C 0.26 P 0.21 A 0.08 N 0.03 L 0.01 D 0.01 C Shift Assignments>> C :: 175.046 CA :: 48.060 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.253 HA2 :: 4.016 HA3 :: 3.610 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.562 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.318 CA :: 62.651 CB :: 62.722 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.456 HA :: 3.928 HB2 :: 3.667 HB3 :: 4.138 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 :: 117.787 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 178.731 CA :: 61.704 CB :: 38.809 CD1 :: 131.334 CD2 :: 131.334 CE1 :: 118.692 CE2 :: 118.692 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.311 HA :: 4.635 HB2 :: 3.183 HB3 :: 3.602 HD1 :: 6.829 HD2 :: 6.829 HE1 :: 6.189 HE2 :: 6.189 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 :: 123.923 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.781 CA :: 67.015 CB :: 67.670 CG2 :: 21.904 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 :: 8.748 HA :: 3.747 HB :: 4.516 HG21 :: 0.973 HG22 :: 0.973 HG23 :: 0.973 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 :: 121.374 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 177.130 CA :: 62.478 CB :: 35.268 CG1 :: 27.067 CG2 :: 16.430 CD1 :: 10.197 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 :: 8.131 HA :: 3.161 HB :: 1.543 HG12 :: 1.135 HG13 :: 0.633 HG21 :: -0.138 HG22 :: -0.138 HG23 :: -0.138 HD11 :: -0.048 HD12 :: -0.048 HD13 :: -0.048 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 :: 119.593 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 R 0.26 K 0.23 Q 0.12 M 0.02 E 0.01 HN Overlap>> 1.V27 1.V27 C Shift Assignments>> C :: 178.150 CA :: 58.333 CB :: 27.448 CG :: 32.187 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 :: 7.871 HA :: 4.110 HB2 :: 2.042 HB3 :: 2.042 HG2 :: 2.784 HG3 :: 2.784 HE21 :: 7.296 HE22 :: 7.700 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.155 NE2 :: 110.315 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.209 CA :: 60.823 CB :: 63.592 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.194 HA :: 4.055 HB2 :: 3.992 HB3 :: 3.992 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.964 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 M 0.13 I 0.06 Q 0.05 K 0.05 C Shift Assignments>> C :: 178.319 CA :: 58.376 CB :: 30.928 CG :: 35.867 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 :: 8.009 HA :: 4.296 HB2 :: 1.799 HB3 :: 2.150 HG2 :: 2.419 HG3 :: 2.309 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.052 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.24 G 0.11 R 0.06 A 0.01 C Shift Assignments>> C :: 178.447 CA :: 55.159 CB :: 43.500 CG :: 26.570 CD1 :: 25.271 CD2 :: 23.477 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 :: 8.916 HA :: 4.549 HB2 :: 1.561 HB3 :: 1.432 HG :: 1.460 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.044 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 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 :: 172.406 CA :: 44.162 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.710 HA2 :: 4.261 HA3 :: 3.994 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.110 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 K 0.12 C 0.11 F 0.09 N 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.862 CA :: 54.581 CB :: 41.028 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 :: 8.131 HA :: 4.577 HB2 :: 2.580 HB3 :: 2.580 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.844 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 174.929 CA :: 58.452 CB :: 37.536 CD1 :: 133.394 CD2 :: 133.394 CE1 :: 117.754 CE2 :: 117.754 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 :: 8.732 HA :: 4.410 HB2 :: 2.302 HB3 :: 2.128 HD1 :: 6.868 HD2 :: 6.868 HE1 :: 6.796 HE2 :: 6.796 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.518 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 D 0.18 C 0.17 L 0.14 N 0.06 R 0.05 K 0.02 F 0.01 Y 0.01 C Shift Assignments>> CA :: 49.843 CB :: 42.737 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.981 HA :: 4.652 HB2 :: 2.161 HB3 :: 2.161 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 :: 132.995 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.11 C Shift Assignments>> C :: 178.353 CA :: 64.216 CB :: 32.133 CG :: 27.005 CD :: 50.630 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 :: 4.117 HB2 :: 2.420 HB3 :: 2.003 HG2 :: 2.001 HG3 :: 2.080 HD2 :: 3.279 HD3 :: 3.789 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.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.13 K 0.07 M 0.04 Q 0.02 HN Overlap>> 1.K85 1.T14 1.K85 1.T14 C Shift Assignments>> C :: 177.001 CA :: 57.984 CB :: 29.667 CG :: 36.585 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 :: 7.968 HA :: 4.047 HB2 :: 1.894 HB3 :: 1.926 HG2 :: 2.124 HG3 :: 2.239 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.491 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.25 G 0.17 R 0.02 A 0.01 C Shift Assignments>> C :: 177.695 CA :: 55.372 CB :: 43.889 CG :: 26.703 CD1 :: 24.277 CD2 :: 23.229 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 :: 7.137 HA :: 4.186 HB2 :: 0.793 HB3 :: 1.007 HG :: 1.218 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 HD21 :: 0.683 HD22 :: 0.683 HD23 :: 0.683 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.254 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 H 0.31 HN Overlap>> 1.F66 1.F66 C Shift Assignments>> C :: 176.135 CA :: 56.134 CB :: 31.534 CD2 :: 114.769 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 :: 8.121 HA :: 4.560 HB2 :: 2.591 HB3 :: 1.913 HD2 :: 6.880 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 :: 120.254 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.G59 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 :: 175.021 CA :: 45.431 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.890 HA2 :: 4.166 HA3 :: 3.990 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.183 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 176.419 CA :: 62.905 CB :: 32.421 CG1 :: 21.058 CG2 :: 19.450 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 :: 8.519 HA :: 4.503 HB :: 2.317 HG11 :: 1.022 HG12 :: 1.022 HG13 :: 1.022 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.738 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.16 N 0.13 C 0.11 F 0.09 K 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 177.816 CA :: 54.278 CB :: 40.771 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 :: 8.525 HA :: 4.959 HB2 :: 2.876 HB3 :: 2.663 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.408 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 Y 0.49 C Shift Assignments>> C :: 176.791 CA :: 59.811 CB :: 37.453 CD1 :: 133.965 CD2 :: 133.965 CE1 :: 118.705 CE2 :: 118.705 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.553 HA :: 4.611 HB2 :: 3.234 HB3 :: 3.545 HD1 :: 7.002 HD2 :: 7.002 HE1 :: 6.618 HE2 :: 6.618 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.187 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 HN Overlap>> 1.Q21 1.Q21 C Shift Assignments>> C :: 176.409 CA :: 63.504 CB :: 31.598 CG1 :: 23.057 CG2 :: 21.701 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.645 HA :: 3.861 HB :: 1.794 HG11 :: 0.560 HG12 :: 0.560 HG13 :: 0.560 HG21 :: 0.305 HG22 :: 0.305 HG23 :: 0.305 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 :: 118.945 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.035 CA :: 60.628 CB :: 63.183 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.611 HA :: 4.234 HB2 :: 3.954 HB3 :: 4.018 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 :: 113.661 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.18 K 0.12 C 0.12 F 0.11 Y 0.09 N 0.07 R 0.02 C Shift Assignments>> C :: 175.376 CA :: 55.077 CB :: 40.913 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.440 HA :: 4.568 HB2 :: 2.490 HB3 :: 2.387 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.332 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.29 C 0.26 HN Overlap>> 1.H58 1.H58 C Shift Assignments>> C :: 174.524 CA :: 57.705 CB :: 41.033 CD1 :: 131.669 CD2 :: 131.669 CE1 :: 130.982 CE2 :: 130.982 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.115 HA :: 4.369 HB2 :: 2.977 HB3 :: 2.717 HD1 :: 7.187 HD2 :: 7.187 HE1 :: 7.309 HE2 :: 7.309 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 :: 120.277 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.31 R 0.25 M 0.03 G 0.01 HN Overlap>> 1.L38 1.L38 C Shift Assignments>> C :: 175.437 CA :: 55.418 CB :: 31.784 CG :: 24.763 CD :: 28.904 CE :: 42.188 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 :: 8.688 HA :: 4.671 HB2 :: 1.731 HB3 :: 1.779 HG2 :: 1.466 HG3 :: 1.378 HD2 :: 1.666 HD3 :: 1.666 HE2 :: 2.971 HE3 :: 2.971 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.931 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 G 0.23 C 0.21 R 0.06 A 0.04 C Shift Assignments>> C :: 175.512 CA :: 54.375 CB :: 44.114 CG :: 26.291 CD1 :: 26.562 CD2 :: 23.032 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.642 HA :: 4.484 HB2 :: 1.527 HB3 :: 1.365 HG :: 1.609 HD11 :: 0.653 HD12 :: 0.653 HD13 :: 0.653 HD21 :: 0.832 HD22 :: 0.832 HD23 :: 0.832 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.156 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 L 0.24 C 0.23 M 0.07 G 0.03 K 0.01 C Shift Assignments>> C :: 173.720 CA :: 49.637 CB :: 22.691 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.586 HA :: 4.597 HB1 :: 1.223 HB2 :: 1.223 HB3 :: 1.223 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.486 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 176.996 CA :: 64.435 CB :: 31.448 CG :: 26.956 CD :: 50.305 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 :: 4.578 HB2 :: 2.358 HB3 :: 1.932 HG2 :: 2.117 HG3 :: 1.945 HD2 :: 3.863 HD3 :: 3.696 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.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.18 D 0.11 Y 0.05 F 0.04 E 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 173.865 CA :: 52.308 CB :: 38.065 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 :: 8.221 HA :: 4.783 HB2 :: 2.693 HB3 :: 2.817 HD21 :: 6.884 HD22 :: 7.612 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.940 ND2 :: 112.721 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.Q72 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.23 E 0.13 R 0.05 M 0.04 I 0.01 HN Overlap>> 1.F99 1.F99 C Shift Assignments>> C :: 174.832 CA :: 57.793 CB :: 29.029 CG :: 33.952 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 :: 8.467 HA :: 3.962 HB2 :: 2.169 HB3 :: 2.330 HG2 :: 2.577 HG3 :: 1.821 HE21 :: 7.239 HE22 :: 9.125(A) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.793 NE2 :: 113.626 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.38 C Shift Assignments>> C :: 175.175 CA :: 59.504 CB :: 72.544 CG2 :: 21.930 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.040 HA :: 4.668 HB :: 4.780 HG21 :: 1.323 HG22 :: 1.323 HG23 :: 1.323 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 :: 115.239 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.28 M 0.01 C Shift Assignments>> C :: 178.758 CA :: 58.521 CB :: 31.372 CG :: 24.379 CD :: 28.236 CE :: 41.950 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 :: 8.949 HA :: 4.109 HB2 :: 1.834 HB3 :: 1.903 HG2 :: 1.531 HG3 :: 1.531 HD2 :: 1.731 HD3 :: 1.731 HE2 :: 3.012 HE3 :: 3.012 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.065 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.32 E 0.23 K 0.03 C Shift Assignments>> C :: 179.947 CA :: 60.405 CB :: 28.999 CG :: 36.926 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 :: 8.762 HA :: 4.098 HB2 :: 2.150 HB3 :: 1.986 HG2 :: 2.335 HG3 :: 2.415 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.335 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.34 R 0.1 K 0.02 C Shift Assignments>> C :: 178.292 CA :: 58.188 CB :: 41.061 CG :: 27.332 CD1 :: 23.448 CD2 :: 26.986 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 :: 7.726 HA :: 4.061 HB2 :: 1.685 HB3 :: 1.978 HG :: 1.249 HD11 :: 0.342 HD12 :: 0.342 HD13 :: 0.342 HD21 :: 0.712 HD22 :: 0.712 HD23 :: 0.712 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 :: 121.434 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.32 E 0.21 K 0.03 C Shift Assignments>> C :: 178.363 CA :: 60.409 CB :: 28.697 CG :: 36.983 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 :: 8.044 HA :: 3.394 HB2 :: 2.283 HB3 :: 1.733 HG2 :: 2.595 HG3 :: 1.791 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.172 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.27 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.197 CA :: 59.869 CB :: 29.466 CG :: 36.632 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 :: 8.657 HA :: 3.945 HB2 :: 2.231 HB3 :: 2.085 HG2 :: 2.459 HG3 :: 2.239 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.944 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.32 R 0.31 C Shift Assignments>> C :: 178.328 CA :: 57.557 CB :: 30.969 CG :: 24.714 CD :: 27.573 CE :: 41.821 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 :: 7.564 HA :: 4.245 HB2 :: 1.946 HB3 :: 1.946 HG2 :: 1.541 HG3 :: 1.378 HD2 :: 1.842 HD3 :: 1.721 HE2 :: 2.831 HE3 :: 3.012 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.118 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> 1.K104 1.K104 C Shift Assignments>> C :: 177.623 CA :: 67.250 CB :: 30.867 CG1 :: 21.789 CG2 :: 23.750 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 :: 8.412 HA :: 3.314 HB :: 2.099 HG11 :: 0.495 HG12 :: 0.495 HG13 :: 0.495 HG21 :: 1.005 HG22 :: 1.005 HG23 :: 1.005 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 :: 119.270 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.42 I 0.02 C Shift Assignments>> C :: 177.305 CA :: 59.998 CB :: 33.605 CG :: 32.250 CE :: 16.969 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 :: 8.212 HA :: 4.039 HB2 :: 2.199 HB3 :: 2.019 HG2 :: 2.101 HG3 :: 2.716 HE1 :: 2.129 HE2 :: 2.129 HE3 :: 2.129 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.924 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.17 K 0.07 M 0.03 Q 0.03 C Shift Assignments>> C :: 179.468 CA :: 59.555 CB :: 29.831 CG :: 36.093 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 :: 7.780 HA :: 3.768 HB2 :: 2.153 HB3 :: 2.153 HG2 :: 2.316 HG3 :: 2.068 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 :: 119.282 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.35 R 0.06 A 0.02 C Shift Assignments>> C :: 179.113 CA :: 57.246 CB :: 41.824 CG :: 26.867 CD1 :: 25.130 CD2 :: 22.076 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 :: 7.748 HA :: 3.756 HB2 :: 1.169 HB3 :: 1.770 HG :: 1.733 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.542 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.H84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 H 0.37 Y 0.01 C Shift Assignments>> C :: 178.286 CA :: 58.407 CB :: 32.405 CD2 :: 119.538 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 :: 8.842 HA :: 3.986 HB2 :: 2.997 HB3 :: 3.268 HD2 :: 7.788 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 :: 120.325 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.15 M 0.02 HN Overlap>> 1.N102 1.E56 1.N102 1.E56 C Shift Assignments>> C :: 177.303 CA :: 59.730 CB :: 32.489 CG :: 25.123 CD :: 29.721 CE :: 41.772 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 :: 7.951 HA :: 3.383 HB2 :: 1.522 HB3 :: 1.547 HG2 :: 1.262 HG3 :: 0.512 HD2 :: 1.299 HD3 :: 1.299 HE2 :: 2.361 HE3 :: 2.541 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.598 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.S86 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 :: 175.296 CA :: 59.708 CB :: 64.669 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.334 HA :: 4.442 HB2 :: 3.818 HB3 :: 4.069 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 :: 113.922 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 Y 0.4 H 0.02 C Shift Assignments>> C :: 175.143 CA :: 54.570 CB :: 36.575 CD1 :: 131.155 CD2 :: 131.155 CE1 :: 116.871 CE2 :: 116.871 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.321 HA :: 5.037 HB2 :: 3.492 HB3 :: 3.206 HD1 :: 6.916 HD2 :: 6.916 HE1 :: 6.236 HE2 :: 6.236 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 :: 123.163 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.1 G 0.07 C Shift Assignments>> C :: 177.455 CA :: 58.086 CB :: 30.702 CG :: 27.392 CD :: 43.421 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 :: 7.263 HA :: 4.264 HB2 :: 1.828 HB3 :: 1.828 HG2 :: 1.713 HG3 :: 1.713 HD2 :: 3.319 HD3 :: 3.319 HE :: 7.279 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 :: 119.334 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.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.371 CA :: 60.818 CB :: 62.576 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.206 HA :: 4.265 HB2 :: 4.140 HB3 :: 4.140 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.486 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.M90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.43 A 0.06 I 0.02 C Shift Assignments>> C :: 177.396 CA :: 56.283 CB :: 35.048 CG :: 31.277 CE :: 16.457 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 :: 8.409 HA :: 4.531 HB2 :: 2.320 HB3 :: 2.071 HG2 :: 2.468 HG3 :: 2.579 HE1 :: 1.798 HE2 :: 1.798 HE3 :: 1.798 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 :: 124.849 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.12 C Shift Assignments>> C :: 173.532 CA :: 61.052 CB :: 68.249 CG2 :: 22.122 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 :: 8.981 HA :: 4.589 HB :: 4.769 HG21 :: 1.421 HG22 :: 1.421 HG23 :: 1.421 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 :: 122.910 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.11 I 0.01 C Shift Assignments>> C :: 177.481 CA :: 66.599 CB :: 31.740 CG :: 28.096 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 :: 4.151 HB2 :: 2.815 HB3 :: 2.815 HG2 :: 2.210 HG3 :: 1.948 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.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.4 C 0.03 I 0.03 C Shift Assignments>> C :: 180.982 CA :: 54.982 CB :: 18.373 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.833 HA :: 4.135 HB1 :: 1.375 HB2 :: 1.375 HB3 :: 1.375 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.945 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 K 0.24 Q 0.24 E 0.09 R 0.08 M 0.02 I 0.02 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 178.279 CA :: 58.547 CB :: 28.318 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 :: 7.868 HA :: 3.911 HB2 :: 1.995 HB3 :: 2.337 HG2 :: 2.459 HG3 :: 2.459 HE21 :: 6.832 HE22 :: 7.849 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.910 NE2 :: 112.382 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.29 I 0.05 C 0.02 C Shift Assignments>> C :: 179.362 CA :: 55.413 CB :: 17.730 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.459 HA :: 4.066 HB1 :: 1.569 HB2 :: 1.569 HB3 :: 1.569 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.672 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.17 D 0.1 L 0.09 I 0.05 K 0.05 N 0.02 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> C :: 178.340 CA :: 57.230 CB :: 40.024 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 :: 8.541 HA :: 4.317 HB2 :: 2.547 HB3 :: 2.803 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.397 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 R 0.04 C Shift Assignments>> C :: 179.822 CA :: 58.737 CB :: 41.661 CG :: 27.024 CD1 :: 24.752 CD2 :: 24.268 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 :: 7.798 HA :: 3.968 HB2 :: 1.773 HB3 :: 1.668 HG :: 1.637 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.846 HD22 :: 0.846 HD23 :: 0.846 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.724 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 E 0.19 I 0.15 K 0.12 Q 0.1 R 0.02 HN Overlap>> 1.L22 1.L22 C Shift Assignments>> C :: 180.447 CA :: 58.870 CB :: 27.413 CG :: 35.450 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 :: 8.172 HA :: 3.885 HB2 :: 0.989(S) HB3 :: 0.989(S) HG2 :: 1.955 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 :: 119.724 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 HN Overlap>> 1.Q72 1.Q72 C Shift Assignments>> C :: 176.805 CA :: 62.277 CB :: 38.948 CD1 :: 132.240 CD2 :: 132.240 CE1 :: 129.632 CE2 :: 129.632 CZ :: 131.777 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.542 HA :: 3.819 HB2 :: 3.080 HB3 :: 3.803 HD1 :: 7.408 HD2 :: 7.408 HE1 :: 6.947 HE2 :: 6.947 HZ :: 7.375 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.837 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 R 0.04 HN Overlap>> 1.D96 1.D96 C Shift Assignments>> C :: 179.884 CA :: 58.046 CB :: 41.419 CG :: 26.633 CD1 :: 25.736 CD2 :: 23.392 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 :: 8.532 HA :: 4.028 HB2 :: 2.007 HB3 :: 1.661 HG :: 2.077 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 0.795 HD22 :: 0.795 HD23 :: 0.795 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 :: 119.496 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.2 K 0.07 Q 0.02 M 0.02 C Shift Assignments>> C :: 179.881 CA :: 59.465 CB :: 29.478 CG :: 36.265 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.769 HA :: 4.043 HB2 :: 1.941 HB3 :: 2.077 HG2 :: 2.256 HG3 :: 2.256 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 :: 120.825 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 C 0.17 D 0.08 L 0.08 I 0.06 K 0.05 N 0.02 HN Overlap>> 1.K85 1.K85 C Shift Assignments>> C :: 176.692 CA :: 57.537 CB :: 40.085 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.865 HA :: 4.329 HB2 :: 2.724 HB3 :: 2.249 HD21 :: 7.499 HD22 :: 7.757 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.591 ND2 :: 117.152 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.03 C 0.03 C Shift Assignments>> C :: 179.546 CA :: 55.148 CB :: 18.154 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.744 HA :: 4.130 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.431 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.34 R 0.27 M 0.01 HN Overlap>> 1.V80 1.V80 C Shift Assignments>> C :: 180.012 CA :: 58.547 CB :: 31.194 CG :: 24.040 CD :: 28.127 CE :: 41.694 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.493 HA :: 3.786 HB2 :: 1.838 HB3 :: 1.937 HG2 :: 1.259 HG3 :: 1.398 HD2 :: 1.370 HD3 :: 1.410 HE2 :: 2.624 HE3 :: 2.739 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.195 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.02 C Shift Assignments>> C :: 178.010 CA :: 58.823 CB :: 32.287 CG :: 25.380 CD :: 29.434 CE :: 41.946 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 :: 7.661 HA :: 4.111 HB2 :: 1.970 HB3 :: 1.970 HG2 :: 1.653 HG3 :: 1.506 HD2 :: 1.675 HD3 :: 1.675 HE2 :: 2.944 HE3 :: 2.944 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 :: 120.301 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.28 K 0.11 A 0.07 G 0.01 C Shift Assignments>> C :: 176.332 CA :: 54.857 CB :: 42.054 CD1 :: 26.544 CD2 :: 22.569 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 :: 7.403 HA :: 4.385 HB2 :: 1.768 HB3 :: 1.768 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 HD21 :: 0.917 HD22 :: 0.917 HD23 :: 0.917 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.606 Ave N Shift Values>> N :: 121.98(4.07) 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 :: 174.826 CA :: 58.894 CB :: 61.684 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.123 HA :: 4.202 HB2 :: 3.994 HB3 :: 4.031 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.023 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.M108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.45 A 0.05 HN Overlap>> 1.C19 1.C19 C Shift Assignments>> C :: 174.495 CA :: 57.328 CB :: 33.414 CG :: 33.058 CE :: 18.041 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 :: 8.212 HA :: 4.188 HB2 :: 2.255 HB3 :: 1.808 HG2 :: 2.596 HG3 :: 2.473 HE1 :: 1.973 HE2 :: 1.973 HE3 :: 1.973 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.267 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.Y109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 178.918 CA :: 58.548 CB :: 39.121 CD1 :: 133.227 CD2 :: 133.227 CE1 :: 117.841 CE2 :: 117.841 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.461 HA :: 4.293 HB2 :: 2.966 HB3 :: 2.966 HD1 :: 6.907 HD2 :: 6.907 HE1 :: 6.812 HE2 :: 6.812 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.895 Ave N Shift Values>> N :: 120.79(4.69) ########################################################################### Overall Results: #Consistent: 107 #Clerical: 0 #Suspicious: 1 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 109 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 109 #Suspicious: 0 C Shift Results: #Consistent: 489 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 774 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 N Shift Results: #Consistent: 109 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q72 HE22 = 9.125(A), Expected = 7.07, Std = 0.4900, ChiSquare = 2.7423e-05 1.E98 HB2 = 0.989(S), Expected = 2.04, Std = 0.2200, ChiSquare = 1.7769e-06 1.E98 HB3 = 0.989(S), Expected = 2.04, Std = 0.2300, ChiSquare = 4.8874e-06