Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.574 HA2 :: 3.690 HA3 :: 3.861 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.100 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> CA :: 60.290 CB :: 40.065 CG1 :: 26.225 CG2 :: 17.494 CD1 :: 12.465 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 :: 8.486 HA :: 4.471 HB :: 1.476 HG12 :: 1.354 HG13 :: 1.354 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 HD11 :: 0.658 HD12 :: 0.658 HD13 :: 0.658 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.600 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> CA :: 60.500 CB :: 69.135 CG2 :: 21.795 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.044 HA :: 5.119 HB :: 4.253 HG21 :: 1.553 HG22 :: 1.553 HG23 :: 1.553 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 :: 125.900 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.41 R 0.27 M 0.13 P 0.11 Q 0.06 C Shift Assignments>> CB :: 31.377 CG :: 29.251 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 :: 4.821 HB2 :: 2.302 HB3 :: 1.911 HG2 :: 1.714 HG3 :: 1.714 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.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.35 K 0.18 G 0.05 C Shift Assignments>> CA :: 56.857 CB :: 31.124 CG :: 27.640 CD :: 43.195 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 :: 8.806 HA :: 4.394 HB2 :: 1.853 HB3 :: 1.853 HG2 :: 1.523 HG3 :: 1.715 HD2 :: 3.080 HD3 :: 2.966 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.700 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.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.2 D 0.15 C 0.1 F 0.1 R 0.1 Y 0.07 N 0.02 C Shift Assignments>> CA :: 55.777 CB :: 41.793 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 :: 7.903 HA :: 5.961 HB2 :: 2.859 HB3 :: 2.917 HD1 :: 7.138 HD2 :: 7.138 HE1 :: 7.032 HE2 :: 7.032 HZ :: 7.092 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.800 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 S 0.21 T 0.18 P 0.13 I 0.13 C 0.01 C Shift Assignments>> CB :: 65.745 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.323 HA :: 4.684 HB2 :: 3.790 HB3 :: 3.946 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 :: 115.400 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.39 C Shift Assignments>> CA :: 59.925 CB :: 40.855 CG1 :: 27.888 CG2 :: 20.017 CD1 :: 15.700 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 :: 9.049 HA :: 5.539 HB :: 1.951 HG12 :: 1.865 HG13 :: 1.229 HG21 :: 1.220 HG22 :: 1.220 HG23 :: 1.220 HD11 :: 1.124 HD12 :: 1.124 HD13 :: 1.124 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 :: 122.100 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 V 0.02 C Shift Assignments>> CB :: 71.905 CG2 :: 20.074 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 :: 8.978 HA :: 4.688 HB :: 4.474 HG21 :: 1.218 HG22 :: 1.218 HG23 :: 1.218 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 :: 118.200 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.37 E 0.07 K 0.04 Q 0.01 C Shift Assignments>> CA :: 53.725 CB :: 33.827 CG :: 31.887 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 :: 8.835 HA :: 5.643 HB2 :: 1.642 HB3 :: 2.231 HG2 :: 1.976 HG3 :: 2.264 HE21 :: 7.191 HE22 :: 7.997 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.448 NE2 :: 118.648 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 D 0.19 L 0.17 F 0.13 Y 0.09 C 0.08 I 0.05 N 0.03 R 0.03 C Shift Assignments>> CB :: 41.390 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 :: 9.034 HB2 :: 2.928 HB3 :: 3.326 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.224 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.29 E 0.27 K 0.06 Q 0.02 C Shift Assignments>> CA :: 59.847 CB :: 28.625 CG :: 36.362 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 :: 8.922 HA :: 4.100 HB2 :: 2.010 HB3 :: 2.115 HG2 :: 2.335 HG3 :: 2.386 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 :: 115.401 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.E13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.83 M 0.09 E 0.06 C Shift Assignments>> CA :: 56.035 CB :: 34.710 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 :: 8.432 HA :: 4.264 HB2 :: 1.400 HB3 :: 1.542 HG2 :: 1.807 HG3 :: 1.105(S) 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 :: 117.000 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.18 K 0.17 C 0.12 F 0.11 Y 0.08 D 0.04 G 0.01 I 0.01 C Shift Assignments>> CA :: 57.660 CB :: 42.670 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 :: 8.837 HA :: 4.887 HB2 :: 1.922 HB3 :: 2.106 HD1 :: 7.108 HD2 :: 7.108 HE1 :: 7.166 HE2 :: 7.166 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.500 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.44 A 0.04 HN Overlap>> 1.T64 1.T64 C Shift Assignments>> CA :: 57.835 CB :: 38.587 CG1 :: 26.249 CG2 :: 17.807 CD1 :: 11.662 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 :: 8.514 HA :: 4.321 HB :: 1.473 HG12 :: 0.557 HG13 :: 0.766 HG21 :: 0.339 HG22 :: 0.339 HG23 :: 0.339 HD11 :: 0.024 HD12 :: 0.024 HD13 :: 0.024 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 :: 115.400 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.21 F 0.17 N 0.13 D 0.11 E 0.04 L 0.04 I 0.03 M 0.01 C Shift Assignments>> CA :: 55.857 CB :: 38.687 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 :: 8.532 HA :: 5.098 HB2 :: 2.733 HB3 :: 2.971 HD1 :: 6.888 HD2 :: 6.888 HE1 :: 6.910 HE2 :: 6.910 HZ :: 7.152 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.924 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.26 C 0.21 R 0.06 C Shift Assignments>> CA :: 53.687 CB :: 44.847 CG :: 27.628 CD1 :: 24.494 CD2 :: 26.528 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 :: 9.466 HA :: 5.096 HB2 :: 1.234 HB3 :: 1.637 HG :: 1.420 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 HD21 :: 0.635 HD22 :: 0.635 HD23 :: 0.635 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 :: 127.124 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> CB :: 33.755 CG :: 23.448 CD :: 29.547 CE :: 40.987 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.100 HA :: 4.848 HB2 :: 1.312 HB3 :: 1.532 HG2 :: 0.818 HG3 :: 1.181 HD2 :: 1.523 HD3 :: 1.463 HE2 :: 2.846 HE3 :: 2.905 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 :: 128.826 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> CA :: 59.825 CB :: 39.705 CG1 :: 26.542 CG2 :: 17.828 CD1 :: 12.927 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 :: 8.465 HA :: 4.241 HB :: 1.156 HG12 :: 1.109 HG13 :: 0.213 HG21 :: 0.190 HG22 :: 0.190 HG23 :: 0.190 HD11 :: -0.195 HD12 :: -0.195 HD13 :: -0.195 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.007 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 Y 0.23 C 0.22 F 0.17 E 0.08 C Shift Assignments>> CA :: 59.707 CB :: 37.923 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 :: 8.615 HA :: 4.415 HB2 :: 2.814 HB3 :: 3.217 HD1 :: 7.034 HD2 :: 7.034 HE1 :: 7.083 HE2 :: 7.083 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 :: 128.400 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> CA :: 58.997 CB :: 40.455 CG1 :: 26.400 CG2 :: 17.407 CD1 :: 13.526 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 :: 7.879 HA :: 4.262 HB :: 1.751 HG12 :: 1.403 HG13 :: 1.403 HG21 :: 0.658 HG22 :: 0.658 HG23 :: 0.658 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.193 Ave N Shift Values>> N :: 121.6(4.72) 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>> CA :: 58.307 CB :: 63.827 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.091 HA :: 4.503 HB2 :: 3.952 HB3 :: 3.952 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 :: 118.148 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.17 N 0.17 E 0.12 F 0.11 D 0.06 M 0.03 I 0.02 L 0.01 C Shift Assignments>> CA :: 55.470 CB :: 37.755 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.284 HA :: 4.515 HB2 :: 2.948 HB3 :: 2.948 HD21 :: 7.660 HD22 :: 6.982 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.700 ND2 :: 113.000 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> CA :: 60.450 CB :: 39.510 CG1 :: 26.850 CG2 :: 17.532 CD1 :: 13.217 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 :: 7.707 HA :: 4.298 HB :: 1.882 HG12 :: 1.240 HG13 :: 1.351 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 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 :: 115.900 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R25 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.62 K 0.33 M 0.01 A 0.01 C Shift Assignments>> CA :: 54.735 CB :: 28.837 CG :: 24.137 CD :: 36.073(S) 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 :: 8.375 HA :: 4.325 HB2 :: 1.660 HB3 :: 1.660 HG2 :: 1.384 HG3 :: 1.422 HD2 :: 2.038(S) HD3 :: 2.148(S) 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 :: 124.900 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.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 I 0.24 F 0.23 C 0.2 E 0.03 HN Overlap>> 1.Q119 1.Q119 C Shift Assignments>> CA :: 59.595 CB :: 38.697 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 :: 8.247 HA :: 3.877 HB2 :: 2.276 HB3 :: 2.368 HD1 :: 6.664 HD2 :: 6.664 HE1 :: 7.040 HE2 :: 7.040 HZ :: 6.916 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 :: 123.800 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.650 CB :: 63.910 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.509 HA :: 3.996 HB2 :: 3.674 HB3 :: 3.454 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 :: 120.000 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.31 C 0.02 C Shift Assignments>> CA :: 53.277 CB :: 18.215 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.251 HA :: 3.889 HB1 :: 1.399 HB2 :: 1.399 HB3 :: 1.399 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.100 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> CA :: 63.557 CB :: 31.137 CG1 :: 20.687 CG2 :: 20.688 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 :: 7.572 HA :: 3.840 HB :: 1.905 HG11 :: 0.855 HG12 :: 0.855 HG13 :: 0.855 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 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 :: 117.100 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.22 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.335 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.081 HA2 :: 3.856 HA3 :: 3.668 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.848 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.25 R 0.09 G 0.03 A 0.01 C Shift Assignments>> CA :: 55.113 CB :: 42.667 CG :: 26.440 CD1 :: 26.340 CD2 :: 23.710 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 :: 7.145 HA :: 4.357 HB2 :: 1.849 HB3 :: 1.392 HG :: 0.931 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 HD21 :: 0.740 HD22 :: 0.740 HD23 :: 0.740 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 :: 122.500 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 E 0.2 M 0.15 I 0.01 C Shift Assignments>> CA :: 54.742 CB :: 32.375 CG :: 37.677 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 :: 8.712 HA :: 4.020 HB2 :: 1.914 HB3 :: 1.914 HG2 :: 2.197 HG3 :: 2.140 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 :: 128.103 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> CA :: 59.576 CB :: 40.038 CG1 :: 27.833 CG2 :: 16.317 CD1 :: 14.120 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 :: 8.384 HA :: 4.949 HB :: 1.694 HG12 :: 1.048 HG13 :: 1.570 HG21 :: 0.723 HG22 :: 0.723 HG23 :: 0.723 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.548 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.43 C Shift Assignments>> CA :: 60.094 CB :: 40.453 CG1 :: 27.027 CG2 :: 18.120 CD1 :: 17.256 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 :: 9.317 HA :: 4.272 HB :: 1.741 HG12 :: 1.393 HG13 :: 1.393 HG21 :: 0.732 HG22 :: 0.732 HG23 :: 0.732 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 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 :: 130.100 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 HN Overlap>> 1.L49 1.L49 C Shift Assignments>> CA :: 59.987 CB :: 39.860 CG1 :: 27.674 CG2 :: 18.109 CD1 :: 14.447 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 :: 8.790 HA :: 4.631 HB :: 1.649 HG12 :: 1.371 HG13 :: 1.371 HG21 :: 0.635 HG22 :: 0.635 HG23 :: 0.635 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 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 :: 129.000 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 C 0.27 Q 0.21 K 0.1 E 0.05 R 0.01 C Shift Assignments>> CA :: 54.575 CB :: 31.110 CG :: 33.236 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 :: 8.782 HA :: 4.511 HB2 :: 1.841 HB3 :: 1.975 HG2 :: 2.227 HG3 :: 2.227 HE21 :: 7.467 HE22 :: 6.693 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.597 NE2 :: 111.320 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.33 E 0.18 K 0.04 Q 0.01 C Shift Assignments>> CA :: 59.207 CB :: 27.337 CG :: 36.717 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.356 HA :: 3.833 HB2 :: 2.055 HB3 :: 2.344 HG2 :: 2.260 HG3 :: 2.351 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.100 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.2 D 0.09 Y 0.06 F 0.04 E 0.03 M 0.01 L 0.01 C Shift Assignments>> CA :: 52.647 CB :: 37.759 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 :: 8.393 HA :: 4.896 HB2 :: 3.177 HB3 :: 2.470 HD21 :: 7.438 HD22 :: 6.784 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 :: 119.741 ND2 :: 111.400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.35 A 0.21 I 0.01 HN Overlap>> 1.N112 1.N112 C Shift Assignments>> CA :: 53.775 CB :: 36.187 CG :: 31.187 CE :: 15.938 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 :: 8.502 HA :: 5.833 HB2 :: 2.066 HB3 :: 2.066 HG2 :: 2.595 HG3 :: 2.390 HE1 :: 1.932 HE2 :: 1.932 HE3 :: 1.932 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 :: 120.300 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.47 G 0.01 C Shift Assignments>> CA :: 60.197 CB :: 41.965 CG1 :: 27.623 CG2 :: 15.391 CD1 :: 14.100 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 :: 8.329 HA :: 4.959 HB :: 1.487 HG12 :: 0.908 HG13 :: 1.612 HG21 :: 0.637 HG22 :: 0.637 HG23 :: 0.637 HD11 :: 0.577 HD12 :: 0.577 HD13 :: 0.577 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 :: 119.400 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CB :: 40.450 CG1 :: 28.200 CG2 :: 18.120 CD1 :: 14.203 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 :: 9.170 HA :: 4.691 HB :: 1.684 HG12 :: 0.883 HG13 :: 1.464 HG21 :: 0.725 HG22 :: 0.725 HG23 :: 0.725 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.000 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.19 K 0.17 R 0.1 C 0.1 F 0.07 Y 0.05 N 0.03 C Shift Assignments>> CA :: 54.945 CB :: 41.963 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 :: 9.169 HA :: 5.243 HB2 :: 2.555 HB3 :: 2.796 HD1 :: 6.866 HD2 :: 6.866 HE1 :: 6.917 HE2 :: 6.917 HZ :: 7.083 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 :: 128.400 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.H43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.2 K 0.17 H 0.11 R 0.1 Q 0.1 E 0.05 C Shift Assignments>> CA :: 54.390 CB :: 32.495 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 :: 8.614 HA :: 4.902 HB2 :: 2.857 HB3 :: 3.098 HD2 :: 7.116 HE1 :: 7.880 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 :: 126.048 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.27 R 0.18 G 0.04 K 0.01 C Shift Assignments>> CA :: 54.742 CB :: 42.735 CG :: 27.172 CD1 :: 24.486 CD2 :: 26.787 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 :: 7.564 HA :: 4.023 HB2 :: 1.152 HB3 :: 1.710 HG :: 1.436 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 127.200 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S132 1.S132 C Shift Assignments>> CA :: 57.917 CB :: 62.934 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.391 HA :: 4.115 HB2 :: 3.684 HB3 :: 3.756 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.595 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.P46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.6 P 0.17 K 0.08 M 0.06 A 0.04 G 0.02 C Shift Assignments>> CB :: 33.975 CG :: 23.930 CD :: 49.520 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 :: 4.769 HB2 :: 2.028 HB3 :: 2.145 HG2 :: 1.699 HG3 :: 0.635(S) HD2 :: 3.239 HD3 :: 3.377 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.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 C 0.18 I 0.09 L 0.06 D 0.05 K 0.05 N 0.01 C Shift Assignments>> CA :: 58.145 CB :: 40.127 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.477 HA :: 5.364 HB2 :: 3.352 HB3 :: 2.841 HD1 :: 7.153 HD2 :: 7.153 HE1 :: 6.913 HE2 :: 6.913 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 :: 129.305 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 L 0.21 K 0.19 C 0.11 F 0.1 Y 0.07 D 0.07 G 0.01 I 0.01 C Shift Assignments>> CA :: 56.895 CB :: 42.486 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 :: 8.723 HA :: 5.326 HB2 :: 2.615 HB3 :: 2.976 HD1 :: 6.819 HD2 :: 6.819 HE1 :: 6.536 HE2 :: 6.536 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 :: 123.224 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.L49 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 C 0.33 G 0.21 HN Overlap>> 1.I35 1.I35 C Shift Assignments>> CA :: 53.435 CB :: 47.448 CG :: 21.814(S) CD1 :: 24.162 CD2 :: 25.200 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 :: 8.846 HA :: 4.512 HB2 :: 1.176 HB3 :: 1.574 HG :: 1.548 HD11 :: 0.497 HD12 :: 0.497 HD13 :: 0.497 HD21 :: 0.337 HD22 :: 0.337 HD23 :: 0.337 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.000 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.35 K 0.14 G 0.08 C Shift Assignments>> CA :: 55.287 CB :: 31.855 CG :: 27.387 CD :: 43.490 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 :: 8.295 HA :: 4.958 HB2 :: 1.590 HB3 :: 1.810 HG2 :: 1.243 HG3 :: 1.479 HD2 :: 3.212 HD3 :: 3.212 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 :: 126.700 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.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.31 C Shift Assignments>> CB :: 46.247 CG :: 26.563 CD1 :: 26.502 CD2 :: 24.171 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 :: 8.841 HA :: 4.753 HB2 :: 1.569 HB3 :: 0.655 HG :: 1.068 HD11 :: 0.417 HD12 :: 0.417 HD13 :: 0.417 HD21 :: 0.297 HD22 :: 0.297 HD23 :: 0.297 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.200 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.34 K 0.18 G 0.07 C Shift Assignments>> CA :: 54.077 CB :: 32.320 CG :: 27.387 CD :: 43.190 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 :: 8.776 HA :: 4.940 HB2 :: 1.408 HB3 :: 1.694 HG2 :: 1.356 HG3 :: 1.493 HD2 :: 3.079 HD3 :: 3.079 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.400 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.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.19 C 0.16 D 0.15 L 0.11 K 0.06 N 0.05 I 0.03 C Shift Assignments>> CA :: 56.465 CB :: 40.136 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 :: 9.481 HA :: 4.523 HB2 :: 3.154 HB3 :: 3.397 HD1 :: 7.367 HD2 :: 7.367 HE1 :: 7.101 HE2 :: 7.101 HZ :: 6.885 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 :: 123.024 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 62.766 CB :: 31.711 CG :: 27.050 CD :: 50.089 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 :: 4.160 HB2 :: 2.108 HB3 :: 1.286 HG2 :: 1.506 HG3 :: 2.571 HD2 :: 3.844 HD3 :: 3.729 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.H55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.33 C 0.21 M 0.13 H 0.11 R 0.08 K 0.05 Q 0.04 E 0.02 C Shift Assignments>> CA :: 51.727 CB :: 31.343 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 :: 6.346 HA :: 4.568 HB2 :: 1.284(S) HB3 :: 3.009 HD2 :: 6.207 HE1 :: 8.445 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 :: 111.471 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.31 I 0.12 M 0.07 C Shift Assignments>> CA :: 58.217 CB :: 31.400 CG :: 37.677 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 :: 8.678 HA :: 3.927 HB2 :: 1.975 HB3 :: 1.975 HG2 :: 2.130 HG3 :: 2.191 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 :: 115.400 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 0.78 G 0.21 C Shift Assignments>> CB :: 43.715 CG :: 26.963 CD1 :: 24.726 CD2 :: 23.260 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 :: 8.253 HA :: 4.763 HB2 :: 1.334 HB3 :: 1.495 HG :: 1.514 HD11 :: 0.357 HD12 :: 0.357 HD13 :: 0.357 HD21 :: 0.413 HD22 :: 0.413 HD23 :: 0.413 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 :: 123.373 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.46 C Shift Assignments>> CA :: 59.167 CB :: 41.455 CG1 :: 28.830 CG2 :: 15.867 CD1 :: 13.206 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 :: 8.090 HA :: 4.344 HB :: 1.481 HG12 :: 0.885 HG13 :: 1.331 HG21 :: 0.615 HG22 :: 0.615 HG23 :: 0.615 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 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 :: 116.200 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.2 L 0.15 C 0.11 K 0.06 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> CA :: 52.657 CB :: 40.969 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 :: 8.448 HA :: 4.628 HB2 :: 2.934 HB3 :: 2.367 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 :: 126.600 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.16 L 0.13 K 0.13 Y 0.1 C 0.08 I 0.06 N 0.04 R 0.01 C Shift Assignments>> CB :: 41.090 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 :: 7.553 HA :: 4.682 HB2 :: 2.680 HB3 :: 3.158 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 :: 125.604 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.26 K 0.17 Q 0.14 I 0.07 M 0.02 R 0.01 C Shift Assignments>> CA :: 58.247 CB :: 28.757 CG :: 35.312 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.028 HA :: 4.310 HB2 :: 2.115 HB3 :: 2.115 HG2 :: 2.245 HG3 :: 2.325 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 :: 116.800 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.R62 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.42 C 0.38 K 0.1 G 0.08 C Shift Assignments>> CA :: 56.698 CB :: 31.230 CG :: 26.638 CD :: 43.462 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 :: 8.557 HA :: 4.201 HB2 :: 2.075 HB3 :: 2.296 HG2 :: 1.617 HG3 :: 1.894 HD2 :: 3.122 HD3 :: 3.307 HH11 :: 7.119 HH12 :: 6.985 HH21 :: 7.512 HH22 :: 7.600 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 :: 119.448 NH2 :: 128.470(A) 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.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.188 CB :: 63.381 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.719 HA :: 4.867 HB2 :: 4.224 HB3 :: 4.325 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 :: 114.424 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 V 0.01 HN Overlap>> 1.I15 1.I15 C Shift Assignments>> CB :: 72.338 CG2 :: 21.060 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 :: 8.458 HA :: 4.688 HB :: 4.110 HG21 :: 1.050 HG22 :: 1.050 HG23 :: 1.050 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 :: 115.400 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.13 L 0.07 C 0.06 C Shift Assignments>> CA :: 51.352 CB :: 21.040 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.391 HA :: 5.268 HB1 :: 1.213 HB2 :: 1.213 HB3 :: 1.213 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.100 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 Q 0.14 E 0.05 K 0.01 C Shift Assignments>> CB :: 32.767 CG :: 33.287 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 :: 8.372 HA :: 4.662 HB2 :: 1.911 HB3 :: 2.031 HG2 :: 2.276 HG3 :: 2.276 HE21 :: 7.499 HE22 :: 6.832 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.800 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 I 0.18 N 0.18 F 0.16 C 0.1 D 0.08 L 0.02 C Shift Assignments>> CB :: 39.197 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.060 HA :: 4.614 HB2 :: 1.887 HB3 :: 2.348 HD1 :: 6.424 HD2 :: 6.424 HE1 :: 6.393 HE2 :: 6.393 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.448 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 C 0.12 R 0.09 K 0.07 N 0.07 G 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 52.027 CB :: 42.437 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 :: 8.473 HA :: 4.524 HB2 :: 2.127 HB3 :: 2.127 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 :: 130.048 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.812 CB :: 62.937 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.378 HA :: 3.822 HB2 :: 3.838 HB3 :: 4.036 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.897 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 C 0.33 R 0.3 M 0.01 C Shift Assignments>> CA :: 58.578 CB :: 31.250 CG :: 24.237 CD :: 28.255 CE :: 42.088 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 :: 8.135 HA :: 4.149 HB2 :: 1.818 HB3 :: 1.878 HG2 :: 1.391 HG3 :: 1.332 HD2 :: 1.634 HD3 :: 1.634 HE2 :: 2.918 HE3 :: 2.918 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 :: 123.600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.19 N 0.11 K 0.11 C 0.1 F 0.07 Y 0.06 R 0.03 C Shift Assignments>> CA :: 53.817 CB :: 41.207 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 :: 7.407 HA :: 4.627 HB2 :: 2.363 HB3 :: 2.671 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 :: 117.700 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.21 E 0.12 L 0.05 K 0.03 C Shift Assignments>> CA :: 56.795 CB :: 26.545 CG :: 37.599 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 :: 7.564 HA :: 3.697 HB2 :: 2.169 HB3 :: 2.289 HG2 :: 2.144 HG3 :: 2.144 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 :: 116.748 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.C73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 H 0.18 M 0.18 R 0.15 K 0.1 Q 0.09 E 0.08 C Shift Assignments>> CA :: 53.815 CB :: 31.122 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.438 HA :: 5.221 HB2 :: 1.886 HB3 :: 1.992 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 :: 112.100 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> CA :: 59.547 CB :: 39.547 CG1 :: 28.200 CG2 :: 17.327 CD1 :: 14.767 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 :: 9.108 HA :: 4.383 HB :: 1.529 HG12 :: 1.560 HG13 :: 0.942 HG21 :: 0.659 HG22 :: 0.659 HG23 :: 0.659 HD11 :: 0.941 HD12 :: 0.941 HD13 :: 0.941 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 :: 121.300 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.25 C 0.13 L 0.05 Y 0.05 F 0.05 C Shift Assignments>> CA :: 52.177 CB :: 39.505 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 :: 8.826 HA :: 5.259 HB2 :: 2.566 HB3 :: 2.566 HD21 :: 7.154 HD22 :: 7.313 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.500 ND2 :: 114.748 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CB :: 33.617 CG1 :: 20.380 CG2 :: 21.285 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 :: 9.687 HA :: 4.788 HB :: 2.017 HG11 :: 0.823 HG12 :: 0.823 HG13 :: 0.823 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 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 :: 129.310 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.K77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 K 0.44 R 0.02 M 0.02 C Shift Assignments>> CA :: 54.637 CB :: 34.588 CG :: 24.527 CD :: 28.946 CE :: 40.605 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 :: 8.901 HA :: 5.073 HB2 :: 1.323 HB3 :: 1.758 HG2 :: 0.530 HG3 :: 0.530 HD2 :: 0.630(S) HD3 :: 1.010 HE2 :: 1.871(S) HE3 :: 1.766(S) HZ1 :: 6.931(U) HZ2 :: 6.931(U) HZ3 :: 6.931(U) 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 :: 132.100 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.44 C Shift Assignments>> CA :: 60.125 CB :: 35.457 CG1 :: 21.897 CG2 :: 21.308 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 :: 8.429 HA :: 4.314 HB :: 1.551 HG11 :: 0.921 HG12 :: 0.921 HG13 :: 0.921 HG21 :: 0.767 HG22 :: 0.767 HG23 :: 0.767 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.500 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.25 C 0.01 C Shift Assignments>> CA :: 52.687 CB :: 18.162 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.974 HA :: 4.205 HB1 :: 1.166 HB2 :: 1.166 HB3 :: 1.166 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.100 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.19 C 0.18 Q 0.11 R 0.1 H 0.09 E 0.06 V 0.02 C Shift Assignments>> CA :: 56.152 CB :: 32.592 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 :: 7.722 HA :: 3.938 HB2 :: 1.025 HB3 :: 2.230 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 :: 119.700 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.37 R 0.05 G 0.01 C Shift Assignments>> CA :: 58.587 CB :: 41.841 CG :: 26.229 CD1 :: 26.225 CD2 :: 23.508 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 :: 8.262 HA :: 3.703 HB2 :: 0.930 HB3 :: 1.487 HG :: 0.819 HD11 :: 1.341 HD12 :: 1.341 HD13 :: 1.341 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.000 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 N 0.19 I 0.19 F 0.16 C 0.11 D 0.08 L 0.01 C Shift Assignments>> CB :: 39.112 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.042 HA :: 4.778 HB2 :: 2.820 HB3 :: 2.237 HD21 :: 6.855 HD22 :: 8.007 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 :: 115.400 ND2 :: 116.948 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.K83 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 0.03 C Shift Assignments>> CA :: 57.715 CB :: 31.585 CG :: 24.895 CD :: 29.235 CE :: 41.640 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 :: 8.264 HA :: 3.970 HB2 :: 1.736 HB3 :: 1.560 HG2 :: 1.165 HG3 :: 1.297 HD2 :: 1.553 HD3 :: 1.553 HE2 :: 2.786 HE3 :: 2.786 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 :: 124.700 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 N 0.22 Y 0.15 E 0.11 F 0.09 D 0.07 M 0.03 I 0.02 L 0.01 C Shift Assignments>> CA :: 55.025 CB :: 37.677 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.557 HA :: 4.233 HB2 :: 3.073 HB3 :: 3.016 HD21 :: 6.788 HD22 :: 7.588 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 :: 117.400 ND2 :: 111.924 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.E85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.33 C 0.32 M 0.15 Q 0.07 K 0.07 I 0.03 C Shift Assignments>> CA :: 56.723 CB :: 30.715 CG :: 35.863 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 :: 7.854 HA :: 4.209 HB2 :: 1.620 HB3 :: 2.513 HG2 :: 1.611(S) HG3 :: 1.611(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.100 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.22 C 0.21 I 0.19 E 0.05 D 0.01 L 0.01 C Shift Assignments>> CA :: 59.020 CB :: 38.595 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 :: 8.993 HA :: 4.277 HB2 :: 2.795 HB3 :: 3.064 HD1 :: 6.999 HD2 :: 6.999 HE1 :: 6.771 HE2 :: 6.771 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 :: 133.400 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 I 0.19 E 0.15 N 0.15 Y 0.14 F 0.06 M 0.01 D 0.01 C Shift Assignments>> CB :: 37.225 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 :: 8.889 HA :: 4.672 HB2 :: 2.531 HB3 :: 3.218 HD1 :: 7.385 HD2 :: 7.385 HE1 :: 7.179 HE2 :: 7.179 HZ :: 6.902 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 :: 130.401 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.31 K 0.15 Q 0.11 M 0.04 I 0.04 C Shift Assignments>> CA :: 56.465 CB :: 29.250 CG :: 35.737 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.671 HA :: 4.076 HB2 :: 1.984 HB3 :: 2.084 HG2 :: 2.441 HG3 :: 2.441 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 :: 126.200 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 C 0.2 F 0.18 D 0.13 N 0.11 L 0.05 I 0.03 E 0.03 C Shift Assignments>> CA :: 56.057 CB :: 39.046 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 :: 8.310 HA :: 4.309 HB2 :: 2.854 HB3 :: 2.973 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 :: 111.700 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 L 0.27 A 0.04 C Shift Assignments>> CA :: 56.202 CB :: 39.405 CG :: 25.200 CD1 :: 22.538 CD2 :: 22.850 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 :: 8.609 HA :: 4.059 HB2 :: 1.774 HB3 :: 1.486 HG :: 1.681 HD11 :: 0.970 HD12 :: 0.970 HD13 :: 0.970 HD21 :: 0.612 HD22 :: 0.612 HD23 :: 0.612 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.800 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.25 C 0.14 Y 0.07 F 0.07 L 0.06 C Shift Assignments>> CA :: 53.217 CB :: 39.435 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 :: 8.639 HA :: 4.499 HB2 :: 2.707 HB3 :: 2.833 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 :: 112.096 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 C 0.18 A 0.03 G 0.01 C Shift Assignments>> CA :: 51.624 CB :: 41.514 CG :: 25.975 CD1 :: 25.200 CD2 :: 23.800 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 :: 7.367 HA :: 4.924 HB2 :: 1.752 HB3 :: 1.499 HG :: 1.502 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 HD21 :: 0.857 HD22 :: 0.857 HD23 :: 0.857 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 :: 122.000 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.09 C Shift Assignments>> CA :: 65.255 CB :: 31.597 CG :: 27.345 CD :: 50.088 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 :: 4.177 HB2 :: 2.107 HB3 :: 1.874 HG2 :: 1.904 HG3 :: 1.904 HD2 :: 3.490 HD3 :: 3.825 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.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 64.519 CB :: 68.187 CG2 :: 21.940 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 :: 7.834 HA :: 4.035 HB :: 4.253 HG21 :: 1.273 HG22 :: 1.273 HG23 :: 1.273 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.092 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.24 C Shift Assignments>> CA :: 57.695 CB :: 32.155 CG :: 25.375 CD :: 27.425 CE :: 41.622 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 :: 7.932 HA :: 4.190 HB2 :: 1.973 HB3 :: 1.973 HG2 :: 1.432 HG3 :: 1.568 HD2 :: 1.524 HD3 :: 1.714 HE2 :: 2.957 HE3 :: 2.957 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.500 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.26 R 0.12 G 0.02 A 0.02 C Shift Assignments>> CA :: 55.201 CB :: 42.435 CG :: 26.763 CD1 :: 26.630 CD2 :: 23.212 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.454 HA :: 4.357 HB2 :: 1.285 HB3 :: 1.734 HG :: 1.693 HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 HD21 :: 0.612 HD22 :: 0.612 HD23 :: 0.612 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 :: 117.900 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.08 G 0.02 C Shift Assignments>> CA :: 55.440 CB :: 42.408 CG :: 26.763 CD1 :: 23.938 CD2 :: 25.500 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 :: 7.325 HA :: 4.329 HB2 :: 1.625 HB3 :: 1.755 HG :: 1.781 HD11 :: 0.967 HD12 :: 0.967 HD13 :: 0.967 HD21 :: 1.074 HD22 :: 1.074 HD23 :: 1.074 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 :: 118.203 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.02 C Shift Assignments>> CA :: 51.445 CB :: 19.164 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.080 HA :: 4.351 HB1 :: 1.263 HB2 :: 1.263 HB3 :: 1.263 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.400 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.16 G 0.03 C Shift Assignments>> CA :: 55.767 CB :: 30.735 CG :: 26.963 CD :: 42.837 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 :: 8.475 HA :: 4.338 HB2 :: 1.865 HB3 :: 1.745 HG2 :: 1.639 HG3 :: 1.639 HD2 :: 3.193 HD3 :: 3.193 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 :: 121.400 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.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.11 K 0.1 H 0.1 R 0.09 M 0.09 C 0.09 E 0.08 L 0.07 Y 0.06 F 0.06 S 0.04 D 0.03 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.630 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 :: 8.576 HA :: 4.242 HB3 :: 2.039 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.400 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> CA :: 45.137 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.483 HA2 :: 3.900 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 :: 110.595 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.D102 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 0.08 Y 0.08 R 0.01 C Shift Assignments>> CA :: 54.297 CB :: 40.725 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 :: 8.142 HA :: 4.533 HB2 :: 2.580 HB3 :: 2.659 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 :: 120.700 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 K 0.34 C 0.16 R 0.11 I 0.01 C Shift Assignments>> CA :: 55.693 CB :: 41.980 CD1 :: 24.887 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 :: 8.149 HA :: 4.268 HB2 :: 1.570 HB3 :: 1.570 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 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 :: 122.593 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 C 0.01 HN Overlap>> 1.A115 1.A115 C Shift Assignments>> CA :: 52.235 CB :: 18.360 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.228 HA :: 4.244 HB1 :: 1.344 HB2 :: 1.344 HB3 :: 1.344 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.500 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> CA :: 45.137 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.281 HA2 :: 3.893 HA3 :: 3.893 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.300 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.01 C Shift Assignments>> CA :: 52.495 CB :: 18.360 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.134 HA :: 4.220 HB1 :: 1.346 HB2 :: 1.346 HB3 :: 1.346 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.100 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.16 N 0.15 C 0.11 F 0.08 K 0.07 Y 0.07 R 0.01 C Shift Assignments>> CA :: 53.955 CB :: 40.725 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 :: 8.291 HA :: 4.518 HB2 :: 2.574 HB3 :: 2.651 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 :: 119.100 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 C 0.01 C Shift Assignments>> CA :: 52.235 CB :: 18.360 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.999 HA :: 4.227 HB1 :: 1.345 HB2 :: 1.345 HB3 :: 1.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.900 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 K 0.25 R 0.18 C 0.15 I 0.01 C Shift Assignments>> CA :: 54.829 CB :: 41.855 CG :: 26.138 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 :: 8.120 HA :: 4.320 HB2 :: 1.659 HB3 :: 1.659 HG :: 1.582 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 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 :: 120.500 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.432 CB :: 69.415 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 :: 7.968 HA :: 4.268 HB :: 4.171 HG21 :: 1.153 HG22 :: 1.153 HG23 :: 1.153 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.700 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.15 R 0.15 E 0.14 C 0.13 K 0.12 M 0.07 I 0.01 HN Overlap>> 1.L122 1.D129 1.L122 1.D129 C Shift Assignments>> CA :: 56.015 CB :: 29.915 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 :: 8.322 HA :: 4.267 HB2 :: 1.891 HB3 :: 1.990 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.124 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 I 0.22 Y 0.2 F 0.12 C 0.11 D 0.05 E 0.01 L 0.01 HN Overlap>> 1.M39 1.M39 C Shift Assignments>> CB :: 38.702 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 :: 8.476 HA :: 4.742 HB2 :: 2.742 HB3 :: 2.828 HD22 :: 6.905 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.23 I 0.23 V 0.21 P 0.09 S 0.05 C 0.04 F 0.04 Y 0.03 E 0.01 R 0.01 C Shift Assignments>> CA :: 61.885 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 :: 8.169 HA :: 4.258 HB :: 4.241 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 :: 115.200 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.24 L 0.19 K 0.14 C 0.11 F 0.09 Y 0.08 N 0.07 R 0.03 C Shift Assignments>> CA :: 54.883 CB :: 41.188 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 :: 8.463 HA :: 4.530 HB2 :: 2.669 HB3 :: 2.669 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) FLAG polypeptide(L) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.01 HN Overlap>> 1.A104 1.A104 C Shift Assignments>> CA :: 52.495 CB :: 18.360 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.134 HA :: 4.218 HB1 :: 1.351 HB2 :: 1.351 HB3 :: 1.351 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.500 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.34 R 0.15 M 0.09 A 0.01 C Shift Assignments>> CA :: 56.095 CB :: 32.510 CG :: 23.132 CD :: 29.380 CE :: 41.746 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 :: 8.136 HA :: 4.215 HB2 :: 1.765 HB3 :: 1.815 HG2 :: 1.363 HG3 :: 1.363 HD2 :: 1.635 HD3 :: 1.635 HE2 :: 2.945 HE3 :: 2.945 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 :: 119.400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.16 C Shift Assignments>> CA :: 56.076 CB :: 32.507 CD :: 29.380 CE :: 41.793 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 :: 8.101 HA :: 4.316 HB2 :: 1.766 HD2 :: 1.636 HD3 :: 1.636 HE2 :: 2.947 HE3 :: 2.947 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 :: 121.800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.T118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.055 HA :: 4.265 HB :: 4.161 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 :: 115.100 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.Q119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.16 D 0.16 A 0.15 L 0.09 M 0.07 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.04 Y 0.02 F 0.02 E 0.02 HN Overlap>> 1.F26 1.F26 C Shift Assignments>> CA :: 53.935 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 :: 8.223 HA :: 4.547 HB2 :: 1.976 HB3 :: 1.976 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 :: 123.900 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.K120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> L 0.6 C 0.32 A 0.03 M 0.01 C Shift Assignments>> CA :: 55.076 CB :: 27.312 CG :: 23.067 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.074 HA :: 4.279 HB2 :: 1.533 HB3 :: 1.533 HG2 :: 0.807 HG3 :: 0.807 HZ1 :: 3.198(U) HZ2 :: 3.198(U) HZ3 :: 3.198(U) 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 :: 122.700 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 62.432 CB :: 31.904 CG :: 26.815 CD :: 50.107 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 :: 4.373 HB2 :: 2.243 HB3 :: 1.823 HG2 :: 1.978 HG3 :: 1.978 HD2 :: 3.605 HD3 :: 3.778 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.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.18 K 0.18 R 0.1 C 0.1 F 0.08 Y 0.06 N 0.03 HN Overlap>> 1.D129 1.E111 1.D129 1.E111 C Shift Assignments>> CA :: 55.076 CB :: 41.922 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 :: 8.317 HA :: 4.274 HB2 :: 1.561 HB3 :: 1.561 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 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 :: 123.124 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> CA :: 60.215 CB :: 38.607 CG1 :: 26.827 CG2 :: 17.284 CD1 :: 12.355 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 :: 8.070 HA :: 4.142 HB :: 1.801 HG12 :: 1.407 HG13 :: 1.133 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 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 :: 122.400 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.Q124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.23 M 0.1 E 0.09 R 0.04 C Shift Assignments>> CA :: 55.360 CB :: 29.577 CG :: 33.639 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 :: 8.418 HA :: 4.319 HB2 :: 1.913 HB3 :: 2.024 HG2 :: 2.317 HG3 :: 2.317 HE21 :: 7.533 HE22 :: 6.846 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 :: 125.200 NE2 :: 113.000 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 E 0.15 C 0.14 Q 0.13 M 0.1 K 0.08 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.397 CB :: 30.540 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 :: 8.471 HA :: 4.260 HB2 :: 1.993 HB3 :: 1.993 HG2 :: 2.210 HG3 :: 2.210 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.800 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.29 M 0.04 C Shift Assignments>> CA :: 61.635 CB :: 32.655 CG1 :: 21.230 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 :: 8.173 HA :: 4.105 HB :: 2.023 HG11 :: 0.888 HG12 :: 0.888 HG13 :: 0.888 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 :: 121.000 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 E 0.14 C 0.14 Q 0.13 M 0.1 K 0.08 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.105 CB :: 30.540 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 :: 8.535 HA :: 4.317 HB2 :: 1.914 HB3 :: 2.027 HG2 :: 2.238 HG3 :: 2.238 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.200 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.T128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.212 HB :: 4.198 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.700 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.21 K 0.14 C 0.1 F 0.08 N 0.07 Y 0.06 R 0.05 HN Overlap>> 1.L122 1.L122 1.E111 1.E111 C Shift Assignments>> CA :: 54.387 CB :: 41.420 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 :: 8.397 HA :: 4.559 HB2 :: 2.656 HB3 :: 2.656 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.200 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> CA :: 45.137 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.307 HA2 :: 3.904 HA3 :: 3.904 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.581 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.28 M 0.04 C Shift Assignments>> CA :: 61.865 CB :: 33.100 CG1 :: 21.230 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 :: 7.961 HA :: 4.113 HB :: 2.039 HG11 :: 0.884 HG12 :: 0.884 HG13 :: 0.884 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.600 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.S132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S45 1.S45 H Shift Assignments>> H :: 8.444 HA :: 4.452 HB2 :: 3.816 HB3 :: 3.816 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.500 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.N133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.476 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.700 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.N134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.13 L 0.12 M 0.09 H 0.09 C 0.07 Q 0.07 N 0.07 R 0.06 K 0.06 A 0.06 E 0.04 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> CA :: 54.950 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 :: 7.970 HA :: 4.333 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) ########################################################################### Overall Results: #Consistent: 125 #Clerical: 1 #Suspicious: 6 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 127 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 134 #Suspicious: 0 C Shift Results: #Consistent: 377 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 926 #Duplicate: 0 #Unknown: 6 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 135 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.E13 HG3 = 1.105(S), Expected = 2.31, Std = 0.2100, ChiSquare = 9.5747e-09 1.R25 Typing: Mistyped 1.R25 CD = 36.073(S), Expected = 43.10, Std = 1.1000, ChiSquare = 1.6787e-10 1.R25 HD2 = 2.038(S), Expected = 3.13, Std = 0.2300, ChiSquare = 2.0561e-06 1.R25 HD3 = 2.148(S), Expected = 3.13, Std = 0.2200, ChiSquare = 8.0580e-06 1.P46 HG3 = 0.635(S), Expected = 1.92, Std = 0.3700, ChiSquare = 5.1473e-04 1.L49 Typing: Suspicious 1.L49 CG = 21.814(S), Expected = 26.77, Std = 1.2500, ChiSquare = 7.3458e-05 1.H55 HB2 = 1.284(S), Expected = 3.12, Std = 0.4300, ChiSquare = 1.9568e-05 1.R62 NH2 = 128.470(A), Expected = 75.84, Std = 11.4400, ChiSquare = 4.2143e-06 1.K77 HD2 = 0.630(S), Expected = 1.61, Std = 0.2500, ChiSquare = 8.8549e-05 1.K77 HE2 = 1.871(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.1902e-07 1.K77 HE3 = 1.766(S), Expected = 2.93, Std = 0.2000, ChiSquare = 5.8848e-09 1.K77 HZ1 = 6.931(U) 1.K77 HZ2 = 6.931(U) 1.K77 HZ3 = 6.931(U) 1.E85 HG2 = 1.611(S), Expected = 2.31, Std = 0.2100, ChiSquare = 8.7293e-04 1.E85 HG3 = 1.611(S), Expected = 2.31, Std = 0.2100, ChiSquare = 8.7293e-04 1.K120 HZ1 = 3.198(U) 1.K120 HZ2 = 3.198(U) 1.K120 HZ3 = 3.198(U)