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>> L 0.51 G 0.15 D 0.09 K 0.08 F 0.08 Y 0.05 I 0.01 C Shift Assignments>> CA :: 43.386 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.926 HA3 :: 3.926 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.990 CA :: 63.131 CB :: 32.342 CG :: 26.924 CD :: 49.654 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 :: 4.403 HB2 :: 2.260 HB3 :: 1.894 HG2 :: 1.951 HG3 :: 1.951 HD2 :: 3.499 HD3 :: 3.499 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.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 G 0.02 A 0.02 C Shift Assignments>> C :: 177.991 CA :: 55.314 CB :: 42.244 CG :: 26.998 CD1 :: 24.789 CD2 :: 23.458 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 :: 8.483 HA :: 4.333 HB2 :: 1.610 HB3 :: 1.571 HG :: 1.603 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 HD21 :: 0.872 HD22 :: 0.872 HD23 :: 0.872 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 :: 122.986 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.360 CA :: 45.434 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.397 HA2 :: 4.024 HA3 :: 3.976 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.666 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.364 CA :: 58.608 CB :: 64.031 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.226 HA :: 4.513 HB2 :: 3.923 HB3 :: 3.883 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 :: 115.674 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.24 K 0.16 F 0.12 Y 0.1 HN Overlap>> 1.D79 1.D79 C Shift Assignments>> C :: 174.456 CA :: 54.540 CB :: 41.091 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 :: 8.442 HA :: 4.663 HB2 :: 2.732 HB3 :: 2.632 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.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.77 T 0.22 C Shift Assignments>> C :: 173.753 CA :: 56.758 CB :: 66.774 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.913 HA :: 5.657 HB2 :: 3.742 HB3 :: 3.628 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 :: 113.824 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 M 0.06 G 0.02 A 0.02 C Shift Assignments>> C :: 174.403 CA :: 55.578 CB :: 36.561 CG :: 24.036 CD :: 29.193 CE :: 41.740 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 :: 8.656 HA :: 4.543 HB2 :: 1.082 HB3 :: 1.082 HG2 :: 1.089 HG3 :: 0.979 HD2 :: 1.234 HD3 :: 1.177 HE2 :: 2.933 HE3 :: 2.774 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 :: 123.076 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.K9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.91 M 0.06 G 0.01 C Shift Assignments>> C :: 176.144 CA :: 56.683 CB :: 32.580 CG :: 25.444 CD :: 29.239 CE :: 41.984 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 :: 8.623 HA :: 4.119 HB2 :: 1.462 HB3 :: 0.960 HG2 :: 0.890 HG3 :: 0.414(S) HD2 :: 1.259 HD3 :: 1.199 HE2 :: 2.654 HE3 :: 2.654 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 :: 129.542 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 L 0.32 K 0.1 H 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 175.577 CA :: 51.226 CB :: 25.299(S) 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 :: 5.208 HB1 :: 1.227 HB2 :: 1.227 HB3 :: 1.227 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.933 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 S 0.42 C Shift Assignments>> C :: 173.072 CA :: 57.772 CB :: 67.301 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.679 HA :: 5.431 HB2 :: 3.702 HB3 :: 3.287 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 :: 116.245 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.H12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.86 H 0.13 C Shift Assignments>> C :: 173.006 CA :: 55.020 CB :: 37.071(S) CD2 :: 116.400 CE1 :: 136.905 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.962 HA :: 6.332(S) HB2 :: 3.503 HB3 :: 3.349 HD2 :: 7.003 HE1 :: 7.674 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 :: 119.181 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 G 0.01 C Shift Assignments>> C :: 173.010 CA :: 61.273 CB :: 41.773 CG1 :: 28.767 CG2 :: 16.504 CD1 :: 13.073 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 :: 8.976 HA :: 3.528 HB :: 1.446 HG12 :: 1.403 HG13 :: 0.327 HG21 :: 0.530 HG22 :: 0.530 HG23 :: 0.530 HD11 :: -0.045 HD12 :: -0.045 HD13 :: -0.045 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.873 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 A 0.45 L 0.02 C Shift Assignments>> C :: 174.112 CA :: 52.574 CB :: 45.643 CG :: 27.724 CD1 :: 26.692 CD2 :: 20.285 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 :: 7.627 HA :: 4.814 HB2 :: 1.259 HB3 :: 0.750 HG :: 0.960 HD11 :: 0.643 HD12 :: 0.643 HD13 :: 0.643 HD21 :: -0.054 HD22 :: -0.054 HD23 :: -0.054 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.112 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 A 0.13 C Shift Assignments>> C :: 175.452 CA :: 58.516 CB :: 36.560 CG1 :: 26.064 CG2 :: 17.751 CD1 :: 9.168 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.524 HA :: 4.362 HB :: 2.168 HG12 :: 1.369 HG13 :: 0.990 HG21 :: 1.050 HG22 :: 1.050 HG23 :: 1.050 HD11 :: 0.624 HD12 :: 0.624 HD13 :: 0.624 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 :: 128.652 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 G 0.05 M 0.04 C Shift Assignments>> C :: 175.038 CA :: 57.817 CB :: 34.853 CG :: 26.947 CD :: 29.921 CE :: 42.166 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 :: 8.035 HA :: 4.319 HB2 :: 1.915 HB3 :: 1.594 HG2 :: 1.415 HG3 :: 1.286 HD2 :: 1.714 HD3 :: 1.600 HE2 :: 2.975 HE3 :: 2.831 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 :: 129.153 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 HN Overlap>> 1.E38 1.E38 C Shift Assignments>> C :: 176.647 CA :: 60.088 CB :: 34.082 CG1 :: 23.249 CG2 :: 21.002 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 :: 8.016 HA :: 4.873 HB :: 1.798 HG11 :: 1.001 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 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 :: 121.288 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.88 M 0.08 G 0.02 C Shift Assignments>> C :: 176.345 CA :: 57.016 CB :: 33.222 CG :: 24.867 CD :: 29.622 CE :: 42.253 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 :: 8.443 HA :: 4.334 HB2 :: 1.747 HB3 :: 1.516 HG2 :: 1.228 HG3 :: 1.091 HD2 :: 1.595 HD3 :: 1.551 HE2 :: 2.943 HE3 :: 2.798 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 :: 128.408 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.236 CA :: 59.642 CB :: 64.347 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.067 HA :: 4.457 HB2 :: 3.990 HB3 :: 3.911 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 :: 121.522 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 M 0.2 Q 0.06 V 0.02 A 0.01 I 0.01 C Shift Assignments>> C :: 177.256 CA :: 55.249 CB :: 34.531 CG :: 24.083 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 :: 7.961 HA :: 4.558 HB2 :: 1.915 HB3 :: 1.750 HG2 :: 1.416 HG3 :: 1.325 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 :: 120.270 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.92 M 0.05 G 0.02 C Shift Assignments>> C :: 177.015 CA :: 59.091 CB :: 32.394 CG :: 24.820 CD :: 29.200 CE :: 42.179 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 :: 4.003 HB2 :: 1.838 HB3 :: 1.838 HG2 :: 1.487 HG3 :: 1.487 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.988 HE3 :: 2.988 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.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.843 CA :: 57.966 CB :: 63.369 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.625 HA :: 4.293 HB2 :: 4.082 HB3 :: 3.766 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 :: 109.549 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 K 0.19 F 0.14 Y 0.12 I 0.01 C Shift Assignments>> C :: 176.544 CA :: 55.242 CB :: 41.103 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 :: 7.701 HA :: 4.548 HB2 :: 2.887 HB3 :: 2.807 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 :: 124.536 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 M 0.05 G 0.02 C Shift Assignments>> C :: 176.813 CA :: 57.148 CB :: 33.200 CG :: 24.878 CD :: 28.819 CE :: 42.232 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 :: 8.583 HA :: 4.252 HB2 :: 1.939 HB3 :: 1.805 HG2 :: 1.565 HG3 :: 1.469 HD2 :: 1.701 HD3 :: 1.701 HE2 :: 3.027 HE3 :: 3.027 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 :: 122.372 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.39 Q 0.03 K 0.02 I 0.02 C Shift Assignments>> C :: 175.995 CA :: 55.727 CB :: 31.918 CG :: 36.349 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 :: 8.001 HA :: 4.521 HB2 :: 1.994 HB3 :: 1.936 HG2 :: 2.196 HG3 :: 2.196 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 :: 118.705 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.41 D 0.05 F 0.05 Y 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 172.201 CA :: 44.038 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.458 HA2 :: 3.946 HA3 :: 3.511 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.642 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.29 A 0.06 HN Overlap>> 1.K33 1.K33 C Shift Assignments>> C :: 177.422 CA :: 53.322 CB :: 45.576 CG :: 27.578 CD1 :: 25.470 CD2 :: 22.953 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 :: 8.259 HA :: 4.775 HB2 :: 1.651 HB3 :: 1.546 HG :: 1.586 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 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 :: 119.856 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.25 K 0.23 F 0.11 Y 0.09 C Shift Assignments>> C :: 176.630 CA :: 55.195 CB :: 41.673 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 :: 8.848 HA :: 4.644 HB2 :: 2.798 HB3 :: 2.742 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 :: 122.434 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 K 0.19 Y 0.17 L 0.16 G 0.08 I 0.08 D 0.01 C Shift Assignments>> C :: 176.604 CA :: 59.690 CB :: 42.964 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 :: 8.720 HA :: 4.386 HB2 :: 2.779 HB3 :: 2.599 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.460 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 M 0.04 G 0.03 C Shift Assignments>> C :: 179.479 CA :: 60.047 CB :: 32.038 CG :: 24.800 CD :: 29.297 CE :: 42.168 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 :: 8.434 HA :: 3.901 HB2 :: 1.891 HB3 :: 1.776 HG2 :: 1.499 HG3 :: 1.352 HD2 :: 1.672 HD3 :: 1.672 HE2 :: 2.985 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 :: 116.627 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.39 K 0.04 M 0.04 C Shift Assignments>> C :: 179.031 CA :: 59.335 CB :: 29.972 CG :: 37.147 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 :: 7.755 HA :: 3.998 HB2 :: 2.166 HB3 :: 2.015 HG2 :: 2.355 HG3 :: 2.355 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 :: 120.456 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.43 L 0.03 V 0.02 I 0.01 T 0.01 C Shift Assignments>> C :: 178.029 CA :: 54.997 CB :: 19.727 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.060 HA :: 3.871 HB1 :: 1.496 HB2 :: 1.496 HB3 :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.406 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K33 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.92 M 0.04 G 0.03 HN Overlap>> 1.L27 1.L27 C Shift Assignments>> C :: 177.938 CA :: 59.573 CB :: 32.098 CG :: 24.847 CD :: 29.242 CE :: 42.243 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 :: 8.228 HA :: 2.595(S) HB2 :: 1.556 HB3 :: 1.332 HG2 :: 1.111 HG3 :: 0.736 HD2 :: 1.551 HD3 :: 1.413 HE2 :: 2.910 HE3 :: 2.856 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 :: 119.833 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) FLAG polypeptide(L) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.36 E 0.15 I 0.04 M 0.04 C Shift Assignments>> C :: 178.323 CA :: 58.883 CB :: 28.485 CG :: 33.735 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 :: 7.392 HA :: 3.943 HB2 :: 2.092 HB3 :: 1.997 HG2 :: 2.421 HG3 :: 2.314 HE21 :: 7.620 HE22 :: 6.800 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 :: 117.208 NE2 :: 112.672 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 M 0.04 G 0.01 HN Overlap>> 1.I53 1.I53 C Shift Assignments>> C :: 178.161 CA :: 58.437 CB :: 31.611 CG :: 24.379 CD :: 28.387 CE :: 41.901 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 :: 7.994 HA :: 4.067 HB2 :: 1.853 HB3 :: 1.853 HG2 :: 1.345 HG3 :: 1.345 HD2 :: 1.659 HD3 :: 1.659 HE2 :: 2.902 HE3 :: 2.781 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 :: 120.898 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.35 I 0.04 C Shift Assignments>> C :: 178.862 CA :: 55.351 CB :: 18.295 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.431 HA :: 3.738 HB1 :: 1.231 HB2 :: 1.231 HB3 :: 1.231 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.641 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.41 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.255 CA :: 59.543 CB :: 29.569 CG :: 36.953 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 :: 8.412 HA :: 3.867 HB2 :: 2.167 HB3 :: 1.905 HG2 :: 2.446 HG3 :: 2.165 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 :: 118.224 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.34 K 0.1 Q 0.03 M 0.02 HN Overlap>> 1.V17 1.V17 C Shift Assignments>> C :: 180.250 CA :: 59.627 CB :: 29.368 CG :: 36.322 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.019 HA :: 3.952 HB2 :: 2.243 HB3 :: 2.093 HG2 :: 2.446 HG3 :: 2.235 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 :: 121.250 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E93 1.E93 C Shift Assignments>> C :: 177.568 CA :: 64.869 CB :: 38.160 CG1 :: 29.017 CG2 :: 18.754 CD1 :: 14.924 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 :: 8.174 HA :: 3.643 HB :: 1.704 HG12 :: 1.760 HG13 :: 0.877 HG21 :: 0.629 HG22 :: 0.629 HG23 :: 0.629 HD11 :: 0.560 HD12 :: 0.560 HD13 :: 0.560 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.527 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 I 0.19 K 0.15 Q 0.13 E 0.04 V 0.02 C Shift Assignments>> C :: 179.022 CA :: 61.316 CB :: 26.604 CG :: 33.836 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 :: 8.860 HA :: 3.533 HB2 :: 2.506 HB3 :: 1.846 HG2 :: 2.615 HG3 :: 2.405 HE21 :: 7.437 HE22 :: 6.635 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 :: 121.956 NE2 :: 110.601 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 G 0.03 M 0.03 C Shift Assignments>> C :: 178.779 CA :: 59.701 CB :: 32.581 CG :: 25.350 CD :: 29.273 CE :: 42.253 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 :: 7.879 HA :: 3.777 HB2 :: 1.926 HB3 :: 1.853 HG2 :: 1.735 HG3 :: 1.507 HD2 :: 1.727 HD3 :: 1.667 HE2 :: 2.954 HE3 :: 2.954 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 :: 119.012 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.16 K 0.15 Q 0.12 M 0.08 C Shift Assignments>> C :: 180.058 CA :: 59.456 CB :: 29.923 CG :: 35.481 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 :: 7.447 HA :: 4.059 HB2 :: 2.084 HB3 :: 2.025 HG2 :: 2.201 HG3 :: 2.201 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 :: 120.054 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.459 CA :: 63.923 CB :: 31.899 CG1 :: 23.189 CG2 :: 21.407 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 :: 8.618 HA :: 3.986 HB :: 2.207 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 1.041 HG22 :: 1.041 HG23 :: 1.041 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 :: 114.191 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.548 CA :: 61.160 CB :: 62.959 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.052 HA :: 4.098 HB2 :: 3.941 HB3 :: 3.856 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.202 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 M 0.06 G 0.02 C Shift Assignments>> C :: 177.288 CA :: 58.469 CB :: 32.671 CG :: 24.849 CD :: 29.336 CE :: 42.187 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 :: 7.083 HA :: 4.140 HB2 :: 1.899 HB3 :: 1.899 HG2 :: 1.591 HG3 :: 1.458 HD2 :: 1.699 HD3 :: 1.699 HE2 :: 2.955 HE3 :: 2.955 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 :: 120.935 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.61 L 0.18 F 0.07 Y 0.06 K 0.04 C Shift Assignments>> CA :: 51.492 CB :: 40.595 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 :: 7.098 HA :: 4.917 HB2 :: 2.852 HB3 :: 2.561 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 :: 112.836 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.248 CA :: 64.718 CB :: 32.159 CG :: 27.206 CD :: 50.504 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 :: 4.681 HB2 :: 2.256 HB3 :: 2.041 HG2 :: 2.162 HG3 :: 2.162 HD2 :: 3.829 HD3 :: 3.595 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.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.071 CA :: 61.377 CB :: 62.455 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.248 HA :: 4.378 HB2 :: 4.044 HB3 :: 3.979 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 :: 116.986 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 M 0.06 G 0.02 C Shift Assignments>> C :: 175.605 CA :: 55.824 CB :: 32.834 CG :: 25.185 CD :: 29.152 CE :: 42.216 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 :: 7.842 HA :: 4.482 HB2 :: 2.024 HB3 :: 1.791 HG2 :: 1.474 HG3 :: 1.416 HD2 :: 1.612 HD3 :: 1.612 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 :: 121.698 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.47 C Shift Assignments>> C :: 176.214 CA :: 63.276 CB :: 40.948 CD1 :: 131.902 CE1 :: 131.902 CZ :: 130.577 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.634 HA :: 3.510 HB2 :: 3.260 HB3 :: 3.151 HD1 :: 6.947 HD2 :: 6.947 HE1 :: 6.943 HE2 :: 6.943 HZ :: 6.932 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 :: 120.120 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 P 0.04 L 0.03 A 0.03 C Shift Assignments>> C :: 175.169 CA :: 47.475 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.855 HA2 :: 3.993 HA3 :: 3.958 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.550 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.24 K 0.11 M 0.05 Q 0.04 C Shift Assignments>> C :: 179.499 CA :: 58.904 CB :: 29.700 CG :: 36.346 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 :: 7.917 HA :: 4.006 HB2 :: 2.075 HB3 :: 2.011 HG2 :: 2.290 HG3 :: 2.233 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 :: 121.929 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K35 1.K35 C Shift Assignments>> C :: 177.886 CA :: 64.366 CB :: 36.478 CG1 :: 29.148 CG2 :: 17.866 CD1 :: 12.343 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.936 HA :: 3.648 HB :: 1.478 HG12 :: 1.530 HG13 :: 1.132 HG21 :: 0.643 HG22 :: 0.643 HG23 :: 0.643 HD11 :: 0.636 HD12 :: 0.636 HD13 :: 0.636 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.991 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.21 I 0.08 C Shift Assignments>> C :: 179.437 CA :: 55.974 CB :: 17.591 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.895 HA :: 3.629 HB1 :: 1.220 HB2 :: 1.220 HB3 :: 1.220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.308 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 M 0.06 G 0.02 C Shift Assignments>> C :: 178.995 CA :: 59.312 CB :: 32.647 CG :: 24.848 CD :: 29.700 CE :: 42.143 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 :: 8.049 HA :: 4.106 HB2 :: 2.016 HB3 :: 1.817 HG2 :: 1.594 HG3 :: 1.512 HD2 :: 1.749 HD3 :: 1.749 HE2 :: 2.986 HE3 :: 2.986 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 :: 116.835 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 M 0.03 G 0.02 C Shift Assignments>> C :: 177.897 CA :: 58.418 CB :: 34.652 CG :: 25.230 CD :: 29.364 CE :: 42.124 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 :: 7.215 HA :: 4.172 HB2 :: 1.849 HB3 :: 1.849 HG2 :: 1.497 HG3 :: 1.357 HD2 :: 1.634 HD3 :: 1.634 HE2 :: 2.932 HE3 :: 2.932 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 :: 117.170 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 E 0.2 Q 0.2 K 0.02 C Shift Assignments>> C :: 177.903 CA :: 55.708 CB :: 32.460 CG :: 34.404 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 :: 8.572 HA :: 4.643 HB2 :: 1.900 HB3 :: 1.415 HG2 :: 2.150 HG3 :: 2.054 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 :: 113.316 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.161 CA :: 58.403 CB :: 64.392 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.550 HA :: 4.149 HB2 :: 4.175 HB3 :: 3.728 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 :: 109.861 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.M59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.3 C Shift Assignments>> C :: 175.204 CA :: 55.781 CB :: 32.855 CG :: 33.166 CE :: 18.156 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 :: 9.533 HA :: 4.457 HB2 :: 2.487 HB3 :: 1.558 HG2 :: 2.979 HG3 :: 2.763 HE1 :: 2.289 HE2 :: 2.289 HE3 :: 2.289 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 :: 124.493 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.59 L 0.17 F 0.09 Y 0.09 K 0.03 C Shift Assignments>> C :: 175.517 CA :: 52.286 CB :: 40.222 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 :: 7.514 HA :: 4.886 HB2 :: 2.650 HB3 :: 2.418 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.785 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.269 CA :: 65.469 CB :: 68.741 CG2 :: 22.040 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 :: 8.118 HA :: 3.918 HB :: 4.174 HG21 :: 1.272 HG22 :: 1.272 HG23 :: 1.272 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.765 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 174.948 CA :: 46.768 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.399 HA2 :: 3.932 HA3 :: 3.900 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.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 177.630 CA :: 59.550 CB :: 65.504 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.265 HA :: 4.554 HB2 :: 3.815 HB3 :: 3.729 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 :: 111.815 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.16 I 0.1 V 0.05 T 0.02 L 0.01 C Shift Assignments>> C :: 178.492 CA :: 56.794 CB :: 18.951 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.675 HA :: 3.801 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.710 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 M 0.07 G 0.02 C Shift Assignments>> C :: 177.159 CA :: 57.735 CB :: 31.948 CG :: 25.070 CD :: 29.277 CE :: 42.239 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 :: 7.666 HA :: 4.175 HB2 :: 1.937 HB3 :: 1.844 HG2 :: 1.525 HG3 :: 1.525 HD2 :: 1.694 HD3 :: 1.694 HE2 :: 2.988 HE3 :: 2.988 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 :: 111.375 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 M 0.09 G 0.02 C Shift Assignments>> C :: 175.609 CA :: 54.468 CB :: 31.525 CG :: 24.653 CD :: 29.314 CE :: 42.204 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 :: 7.545 HA :: 4.612 HB2 :: 2.135 HB3 :: 1.736 HG2 :: 1.484 HG3 :: 1.385 HD2 :: 1.696 HD3 :: 1.696 HE2 :: 2.991 HE3 :: 2.991 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 :: 121.421 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.26 E 0.12 D 0.1 I 0.07 L 0.03 M 0.02 C Shift Assignments>> C :: 175.025 CA :: 56.400 CB :: 38.315 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 :: 7.630 HA :: 4.306 HB2 :: 3.045 HB3 :: 2.936 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.216 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.09 C Shift Assignments>> C :: 174.139 CA :: 45.514 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.368 HA2 :: 4.316 HA3 :: 3.731 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.095 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.18 M 0.14 K 0.04 Q 0.01 C Shift Assignments>> C :: 176.961 CA :: 58.549 CB :: 30.998 CG :: 36.769 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.534 HA :: 4.479 HB2 :: 2.144 HB3 :: 2.047 HG2 :: 2.545 HG3 :: 2.227 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 :: 120.426 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 G 0.18 A 0.15 C Shift Assignments>> C :: 178.648 CA :: 53.977 CB :: 43.612 CG :: 26.184 CD1 :: 25.062 CD2 :: 22.236 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 :: 8.962 HA :: 4.438 HB2 :: 1.593 HB3 :: 1.232 HG :: 1.620 HD11 :: 0.284 HD12 :: 0.284 HD13 :: 0.284 HD21 :: 0.615 HD22 :: 0.615 HD23 :: 0.615 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 :: 122.066 Ave N Shift Values>> N :: 121.98(4.07) 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 0.22 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.098 CA :: 44.723 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.104 HA2 :: 4.165 HA3 :: 3.552 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.168 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.975 CA :: 59.722 CB :: 38.378 CD1 :: 132.964 CE1 :: 118.297 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 :: 8.457 HA :: 4.184 HB2 :: 2.800 HB3 :: 2.542 HD1 :: 6.982 HD2 :: 6.982 HE1 :: 6.798 HE2 :: 6.798 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 :: 120.171 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.901 CA :: 62.202 CB :: 33.071 CG1 :: 22.295 CG2 :: 21.950 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 :: 8.782 HA :: 4.056 HB :: 2.018 HG11 :: 0.912 HG12 :: 0.912 HG13 :: 0.912 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 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 :: 128.847 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 G 0.19 A 0.01 C Shift Assignments>> C :: 178.400 CA :: 53.520 CB :: 43.499 CG :: 27.904 CD1 :: 24.110 CD2 :: 24.602 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 :: 8.146 HA :: 4.944 HB2 :: 1.619 HB3 :: 1.458 HG :: 1.713 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.872 HD22 :: 0.872 HD23 :: 0.872 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 :: 127.599 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.04 C Shift Assignments>> C :: 177.536 CA :: 58.385 CB :: 32.459 CG :: 25.619 CD :: 29.101 CE :: 41.673 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 :: 8.403 HA :: 3.771 HB2 :: 1.562 HB3 :: 1.497 HG2 :: 1.014 HG3 :: 0.712 HD2 :: 1.233 HD3 :: 1.233 HE2 :: 2.334 HE3 :: 2.334 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 :: 123.798 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.09 C Shift Assignments>> C :: 175.091 CA :: 45.465 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.997 HA2 :: 4.255 HA3 :: 3.791 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.705 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 M 0.27 E 0.23 K 0.17 I 0.01 C Shift Assignments>> C :: 176.301 CA :: 57.074 CB :: 30.798 CG :: 34.119 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 :: 7.726 HA :: 4.373 HB2 :: 2.214 HB3 :: 2.150 HG2 :: 2.364 HG3 :: 2.234 HE21 :: 7.598 HE22 :: 6.978 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 :: 118.702 NE2 :: 113.371 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.920 CA :: 60.087 CB :: 71.412 CG2 :: 21.787 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 :: 8.225 HA :: 4.620 HB :: 3.942 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.935 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.22 D 0.12 F 0.05 K 0.05 Y 0.04 HN Overlap>> 1.D6 1.D6 C Shift Assignments>> C :: 176.759 CA :: 54.927 CB :: 43.859 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 :: 8.372 HA :: 4.470 HB2 :: 2.803 HB3 :: 2.652 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 :: 122.093 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 M 0.04 G 0.03 C Shift Assignments>> C :: 178.493 CA :: 59.802 CB :: 32.374 CG :: 24.312 CD :: 29.001 CE :: 42.229 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 :: 8.740 HA :: 4.027 HB2 :: 1.842 HB3 :: 1.842 HG2 :: 1.486 HG3 :: 1.486 HD2 :: 1.671 HD3 :: 1.671 HE2 :: 2.998 HE3 :: 2.998 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 :: 124.685 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.23 K 0.18 L 0.12 I 0.07 D 0.07 C Shift Assignments>> C :: 178.889 CA :: 58.046 CB :: 40.872 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 :: 8.556 HA :: 4.566 HB2 :: 2.816 HB3 :: 2.607 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.413 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.39 C Shift Assignments>> C :: 175.919 CA :: 61.648 CB :: 39.743 CD1 :: 131.691 CE1 :: 130.458 CZ :: 128.222 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 :: 8.205 HA :: 3.686 HB2 :: 3.487 HB3 :: 2.450 HD1 :: 6.436 HD2 :: 6.436 HE1 :: 6.988 HE2 :: 6.988 HZ :: 6.597 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.401 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 E 0.34 M 0.02 K 0.01 C Shift Assignments>> C :: 177.788 CA :: 60.545 CB :: 30.639 CG :: 37.779 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 :: 8.887 HA :: 3.704 HB2 :: 2.317 HB3 :: 2.030 HG2 :: 2.250 HG3 :: 1.962 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 :: 119.421 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 M 0.05 G 0.02 C Shift Assignments>> C :: 178.783 CA :: 59.327 CB :: 32.539 CG :: 24.877 CD :: 29.470 CE :: 42.146 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 :: 8.055 HA :: 3.947 HB2 :: 1.965 HB3 :: 1.850 HG2 :: 1.576 HG3 :: 1.441 HD2 :: 1.714 HD3 :: 1.714 HE2 :: 2.968 HE3 :: 2.968 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 :: 117.821 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.4 L 0.05 V 0.01 C Shift Assignments>> C :: 179.794 CA :: 54.407 CB :: 20.130 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.059 HA :: 4.040 HB1 :: 1.317 HB2 :: 1.317 HB3 :: 1.317 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.905 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 A 0.01 K 0.01 C Shift Assignments>> C :: 178.330 CA :: 57.752 CB :: 41.464 CG :: 27.270 CD1 :: 26.671 CD2 :: 22.529 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 :: 8.157 HA :: 3.692 HB2 :: 1.782 HB3 :: 0.958 HG :: 0.657 HD11 :: 0.654 HD12 :: 0.654 HD13 :: 0.654 HD21 :: 0.559 HD22 :: 0.559 HD23 :: 0.559 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.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 F 0.45 C Shift Assignments>> C :: 176.176 CA :: 61.780 CB :: 37.549 CD1 :: 131.639 CE1 :: 131.639 CZ :: 130.023 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 :: 8.349 HA :: 3.861 HB2 :: 3.205 HB3 :: 2.978 HD1 :: 7.547 HD2 :: 7.547 HE1 :: 7.541 HE2 :: 7.541 HZ :: 7.206 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 :: 112.449 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 M 0.06 G 0.02 C Shift Assignments>> C :: 177.089 CA :: 56.726 CB :: 33.738 CG :: 24.822 CD :: 29.397 CE :: 42.122 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 :: 7.061 HA :: 4.380 HB2 :: 1.885 HB3 :: 1.853 HG2 :: 1.568 HG3 :: 1.568 HD2 :: 1.671 HD3 :: 1.671 HE2 :: 2.976 HE3 :: 2.976 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 :: 118.308 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 G 0.15 A 0.14 C Shift Assignments>> C :: 177.528 CA :: 55.279 CB :: 43.240 CG :: 25.347 CD1 :: 26.099 CD2 :: 22.103 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 :: 7.270 HA :: 4.168 HB2 :: 1.827 HB3 :: 1.461 HG :: 2.071 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 HD21 :: 0.535 HD22 :: 0.535 HD23 :: 0.535 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 :: 121.317 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 M 0.04 G 0.02 C Shift Assignments>> C :: 175.839 CA :: 54.772 CB :: 33.232 CG :: 25.181 CD :: 28.886 CE :: 42.172 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 :: 8.788 HA :: 4.359 HB2 :: 1.835 HB3 :: 1.551 HG2 :: 1.531 HG3 :: 1.458 HD2 :: 1.666 HD3 :: 1.666 HE2 :: 2.992 HE3 :: 2.992 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 :: 123.558 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.18 L 0.15 K 0.09 I 0.04 C Shift Assignments>> C :: 177.452 CA :: 56.642 CB :: 40.269 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 :: 8.125 HA :: 3.958 HB2 :: 2.482 HB3 :: 2.423 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 :: 119.419 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.614 CA :: 45.564 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.681 HA2 :: 4.131 HA3 :: 3.579 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.802 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.3 I 0.06 K 0.01 HN Overlap>> 1.I39 1.I39 C Shift Assignments>> C :: 174.282 CA :: 56.651 CB :: 32.190 CG :: 37.242 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 :: 8.104 HA :: 4.232 HB2 :: 2.038 HB3 :: 2.038 HG2 :: 2.242 HG3 :: 2.153 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 :: 121.527 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.556 CA :: 60.309 CB :: 33.847 CG1 :: 21.922 CG2 :: 21.370 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 :: 7.918 HA :: 4.857 HB :: 1.867 HG11 :: 1.087 HG12 :: 1.087 HG13 :: 1.087 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 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 :: 119.768 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.84 T 0.15 C Shift Assignments>> C :: 174.641 CA :: 59.208 CB :: 66.080 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.659 HA :: 4.313 HB2 :: 4.404 HB3 :: 3.763 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.903 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.17 K 0.12 Q 0.07 I 0.05 C Shift Assignments>> C :: 176.641 CA :: 56.236 CB :: 30.324 CG :: 36.244 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.014 HA :: 4.376 HB2 :: 2.210 HB3 :: 1.876 HG2 :: 2.357 HG3 :: 2.252 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.510 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.684 CA :: 65.418 CB :: 31.218 CG1 :: 23.805 CG2 :: 23.400 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 :: 8.741 HA :: 4.171 HB :: 2.042 HG11 :: 0.983 HG12 :: 0.983 HG13 :: 0.983 HG21 :: 0.828 HG22 :: 0.828 HG23 :: 0.828 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 :: 121.289 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 174.258 CA :: 60.937 CB :: 35.825 CG1 :: 20.591 CG2 :: 20.246 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.218 HA :: 4.405 HB :: 1.889 HG11 :: 0.901 HG12 :: 0.901 HG13 :: 0.901 HG21 :: 0.783 HG22 :: 0.783 HG23 :: 0.783 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 :: 130.544 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 G 0.03 M 0.03 C Shift Assignments>> C :: 175.274 CA :: 55.499 CB :: 34.452 CG :: 25.007 CD :: 28.988 CE :: 42.379 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 :: 8.800 HA :: 4.853 HB2 :: 1.813 HB3 :: 1.647 HG2 :: 1.222 HG3 :: 0.646 HD2 :: 1.558 HD3 :: 1.330 HE2 :: 2.806 HE3 :: 2.749 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 130.477 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 S 0.49 C Shift Assignments>> C :: 175.493 CA :: 56.927 CB :: 67.309 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.585 HA :: 5.150 HB2 :: 4.502 HB3 :: 3.769 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 :: 125.814 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.385 CA :: 61.123 CB :: 62.818 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.631 HA :: 4.106 HB2 :: 3.698 HB3 :: 3.618 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 :: 115.089 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.47 C Shift Assignments>> C :: 176.453 CA :: 58.382 CB :: 40.275 CD1 :: 131.258 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 :: 8.957 HA :: 4.610 HB2 :: 3.128 HB3 :: 2.817 HD1 :: 7.320 HD2 :: 7.320 HE1 :: 7.320 HE2 :: 7.320 HZ :: 7.320 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.917 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 169.627 CA :: 45.384 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.377 HA2 :: 4.453 HA3 :: 3.472 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.809 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> C :: 175.043 CA :: 57.627 CB :: 41.711 CD1 :: 132.294 CE1 :: 118.246 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 :: 8.632 HA :: 5.322 HB2 :: 2.601 HB3 :: 2.443 HD1 :: 6.716 HD2 :: 6.716 HE1 :: 6.863 HE2 :: 6.863 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 :: 120.030 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.H105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.85 Y 0.09 F 0.05 C Shift Assignments>> C :: 175.734 CA :: 53.945 CB :: 32.450 CD2 :: 129.972 CE1 :: 136.760 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 :: 10.070 HA :: 6.046 HB2 :: 3.103 HB3 :: 3.103 HD2 :: 7.077 HE1 :: 7.661 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 :: 119.504 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.I106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 I 0.15 G 0.04 C Shift Assignments>> C :: 174.758 CA :: 63.446 CB :: 40.786 CG1 :: 31.491 CG2 :: 22.665(S) CD1 :: 15.776 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 :: 8.660 HA :: 4.120 HB :: 1.651 HG12 :: 1.368 HG13 :: 0.986 HG21 :: 1.009 HG22 :: 1.009 HG23 :: 1.009 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.639 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 G 0.01 C Shift Assignments>> C :: 172.880 CA :: 60.563 CB :: 41.652 CG1 :: 27.877 CG2 :: 18.763 CD1 :: 14.787 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.033 HA :: 4.799 HB :: 1.280 HG12 :: 1.478 HG13 :: 0.592 HG21 :: 0.623 HG22 :: 0.623 HG23 :: 0.623 HD11 :: -0.006 HD12 :: -0.006 HD13 :: -0.006 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 :: 129.098 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.K108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.75 M 0.18 A 0.04 G 0.01 C Shift Assignments>> C :: 174.484 CA :: 54.317 CB :: 35.619 CG :: 23.840 CD :: 30.068 CE :: 41.401 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 :: 8.692 HA :: 5.012 HB2 :: 0.561(S) HB3 :: 0.362(S) HG2 :: 0.817 HG3 :: 0.726 HD2 :: 1.121 HD3 :: 0.929 HE2 :: 2.653 HE3 :: 2.429 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.179 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 176.231 CA :: 50.505 CB :: 19.584 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.816 HA :: 4.604 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 :: 129.619 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 D 0.23 K 0.18 F 0.07 Y 0.05 G 0.03 C Shift Assignments>> C :: 175.259 CA :: 54.489 CB :: 42.693 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 :: 7.578 HA :: 4.424 HB2 :: 2.490 HB3 :: 1.921 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.434 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.96 M 0.03 C Shift Assignments>> C :: 181.349 CA :: 58.242 CB :: 33.759 CG :: 25.244 CD :: 29.264 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 :: 8.077 HA :: 3.991 HB2 :: 1.689 HB3 :: 1.594 HG2 :: 1.329 HG3 :: 1.329 HD2 :: 1.635 HD3 :: 1.635 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.603 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 105 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 111 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 1 C Shift Results: #Consistent: 481 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 780 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K9 HG3 = 0.414(S), Expected = 1.37, Std = 0.2900, ChiSquare = 9.7880e-04 1.A10 CB = 25.299(S), Expected = 18.90, Std = 1.8500, ChiSquare = 5.4235e-04 1.H12 CB = 37.071(S), Expected = 29.95, Std = 2.1500, ChiSquare = 9.2601e-04 1.H12 HA = 6.332(S), Expected = 4.62, Std = 0.5100, ChiSquare = 7.8832e-04 1.K33 HA = 2.595(S), Expected = 4.28, Std = 0.4500, ChiSquare = 1.8079e-04 1.K33 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K33 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.I106 CG2 = 22.665(S), Expected = 17.36, Std = 1.6000, ChiSquare = 9.1438e-04 1.K108 HB2 = 0.561(S), Expected = 1.79, Std = 0.2500, ChiSquare = 8.8330e-07 1.K108 HB3 = 0.362(S), Expected = 1.78, Std = 0.2600, ChiSquare = 4.9292e-08