Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 FLAG polypeptide(L) 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.62 L 0.15 C 0.09 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.56 CA :: 44.872 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.836 HA3 :: 4.011 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) FLAG polypeptide(L) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.034 CA :: 45.396 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.06 HA2 :: 3.368 HA3 :: 3.857 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.102 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 K 0.17 C 0.16 M 0.05 R 0.03 A 0.02 C Shift Assignments>> C :: 173.904 CA :: 52.528 CB :: 24.086 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.184 HA :: 4.907 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.223 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.25 C 0.18 A 0.03 R 0.01 C Shift Assignments>> C :: 176.251 CA :: 53.722 CB :: 45.458 CG :: 27.376 CD1 :: 25.999 CD2 :: 23.206 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 :: 9.85 HA :: 5.266 HB2 :: 1.961 HB3 :: 2.073 HG :: 1.57 HD11 :: 0.982 HD12 :: 0.982 HD13 :: 0.982 HD21 :: 0.908 HD22 :: 0.908 HD23 :: 0.908 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.406 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.661 CA :: 59.447 CB :: 64.053 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.899 HA :: 4.652 HB2 :: 3.745 HB3 :: 4.335 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 :: 114.469 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 175.868 CA :: 62.361 CB :: 40.48 CE1 :: 117.257 CE2 :: 117.257 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 :: 9.556 HA :: 3.5 HB2 :: 3.38 HB3 :: 3.217 HD1 :: 7.048 HD2 :: 7.048 HE1 :: 6.557 HE2 :: 6.557 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.905 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.27 K 0.17 Q 0.11 I 0.06 M 0.01 R 0.01 C Shift Assignments>> C :: 176.164 CA :: 56.778 CB :: 28.293 CG :: 35.696 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 :: 9.198 HA :: 4.44 HB2 :: 2.262 HB3 :: 2.312 HG2 :: 2.343 HG3 :: 2.455 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 :: 111.898 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 173.767 CA :: 65.318 CB :: 68.641 CG2 :: 22.165 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 :: 8.03 HA :: 4.064 HB :: 4.45 HG21 :: 1.477 HG22 :: 1.477 HG23 :: 1.477 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.393 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.32 M 0.12 I 0.04 C Shift Assignments>> C :: 174.69 CA :: 56.694 CB :: 31.755 CG :: 37.469 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 :: 9.271 HA :: 4.541 HB2 :: 2.107 HB3 :: 1.771 HG2 :: 1.774 HG3 :: 2.667 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 :: 130.051 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.44 A 0.01 C Shift Assignments>> C :: 175.671 CA :: 58.465 CB :: 39.227 CG1 :: 27.266 CG2 :: 17.849 CD1 :: 12.136 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 :: 8.913 HA :: 4.414 HB :: 1.929 HG12 :: 1.207 HG13 :: 1.527 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 HD11 :: 0.705 HD12 :: 0.705 HD13 :: 0.705 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 :: 123.426 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.32 R 0.08 A 0.01 G 0.01 C Shift Assignments>> C :: 175.163 CA :: 56.157 CB :: 42.014 CG :: 27.011 CD1 :: 22.98 CD2 :: 25.181 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 :: 7.299 HA :: 4.256 HB2 :: 1.216 HB3 :: 1.791 HG :: 1.398 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 HD21 :: 0.401 HD22 :: 0.401 HD23 :: 0.401 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 :: 125.463 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 T 0.32 C Shift Assignments>> C :: 176.176 CA :: 59.256 CB :: 73.375 CG2 :: 22.37 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 :: 7.67 HA :: 5.899 HB :: 4.432 HG21 :: 1.289 HG22 :: 1.289 HG23 :: 1.289 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.056 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.946 CA :: 65.773 CB :: 33.317 CG1 :: 20.972 CG2 :: 22.132 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 :: 8.938 HA :: 3.682 HB :: 1.674 HG11 :: 0.798 HG12 :: 0.798 HG13 :: 0.798 HG21 :: 0.602 HG22 :: 0.602 HG23 :: 0.602 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 :: 125.225 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.39 C 0.34 E 0.19 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.472 CA :: 60.399 CB :: 28.036 CG :: 36.427 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 :: 10.004 HA :: 3.686 HB2 :: 0.967(S) HB3 :: 1.288 HG2 :: 2.001 HG3 :: 2.427 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 :: 116.372 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.44 Y 0.02 C Shift Assignments>> C :: 175.96 CA :: 56.043 CB :: 40.361 CD1 :: 128.962 CD2 :: 128.962 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.442 HA :: 4.889 HB2 :: 2.641 HB3 :: 3.283 HD1 :: 6.794 HD2 :: 6.794 HE1 :: 6.824 HE2 :: 6.824 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 :: 111.694 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 176.114 CA :: 45.179 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.206 HA2 :: 3.861 HA3 :: 4.248 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.018 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.28 R 0.09 A 0.01 G 0.01 C Shift Assignments>> C :: 177.288 CA :: 55.573 CB :: 42.206 CG :: 26.792 CD1 :: 25.834 CD2 :: 23.243 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 :: 8.85 HA :: 4.775 HB2 :: 1.397 HB3 :: 1.845 HG :: 1.751 HD11 :: 0.978 HD12 :: 0.978 HD13 :: 0.978 HD21 :: 0.728 HD22 :: 0.728 HD23 :: 0.728 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 :: 127.337 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.33 L 0.11 A 0.02 C Shift Assignments>> C :: 173.987 CA :: 51.581 CB :: 47.184 CG :: 26.45 CD1 :: 26.68 CD2 :: 24.371 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 :: 8.751 HA :: 5.082 HB2 :: 1.268 HB3 :: 1.573 HG :: 1.516 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 HD21 :: 0.814 HD22 :: 0.814 HD23 :: 0.814 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 :: 124.635 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 178.189 CA :: 62.329 CB :: 32.412 CG :: 27.693 CD :: 51.279 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 :: 4.509 HB2 :: 1.804 HB3 :: 2.475 HG2 :: 2.157 HG3 :: 2.159 HD2 :: 3.461 HD3 :: 4.05 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.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 175.587 CA :: 64.781 CB :: 37.755 CG1 :: 29.496 CG2 :: 17.899 CD1 :: 15.445 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 :: 9.643 HA :: 3.697 HB :: 1.784 HG12 :: 1.091 HG13 :: 1.239 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 HD11 :: 0.9 HD12 :: 0.9 HD13 :: 0.9 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.252 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.669 CA :: 45.116 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.839 HA2 :: 1.386(S) HA3 :: 1.683(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.813 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.16 M 0.02 C Shift Assignments>> C :: 177.978 CA :: 58.535 CB :: 33.128 CG :: 25.006 CD :: 29.499 CE :: 41.829 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.102(S) HA :: 3.993 HB2 :: 1.665 HB3 :: 1.754 HG2 :: 1.276 HG3 :: 1.386 HD2 :: 1.601 HD3 :: 1.601 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.832 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 178.021 CA :: 65.588 CB :: 38.416 CG1 :: 29.136 CG2 :: 16.643 CD1 :: 13.756 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 :: 7.311 HA :: 3.336 HB :: 1.922 HG12 :: 0.767 HG13 :: 1.607 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.06 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.647 CA :: 67.601 CB :: 31.69 CG1 :: 21.003 CG2 :: 24.341 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 :: 8.239 HA :: 3.956 HB :: 1.957 HG11 :: 1.056 HG12 :: 1.056 HG13 :: 1.056 HG21 :: 1.237 HG22 :: 1.237 HG23 :: 1.237 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 :: 115.395 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.33 E 0.25 K 0.01 M 0.01 C Shift Assignments>> C :: 178.779 CA :: 60.173 CB :: 29.662 CG :: 37.371 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 :: 8.735 HA :: 4.029 HB2 :: 1.974 HB3 :: 2.242 HG2 :: 2.4 HG3 :: 2.633 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.219 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 R 0.28 C 0.28 M 0.01 C Shift Assignments>> C :: 174.63 CA :: 54.512 CB :: 31.422 CG :: 25.105 CD :: 28.292 CE :: 42.021 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 :: 7.659 HA :: 4.27 HB2 :: 1.645 HB3 :: 1.832 HG2 :: 1.35 HG3 :: 1.449 HD2 :: 1.536 HD3 :: 1.536 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 :: 113.38 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.R27 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 L 0.26 R 0.26 K 0.07 G 0.07 C Shift Assignments>> C :: 174.468 CA :: 55.78 CB :: 27.512 CG :: 27.745 CD :: 43.226 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.457 HA :: 2.593(S) HB2 :: 0.829(S) HB3 :: 1.09 HG2 :: 0.483(S) HG3 :: 0.688(S) HD2 :: 2.753 HD3 :: 2.757 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 :: 124.358 NE :: 85.313 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) FLAG polypeptide(L) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 HN Overlap>> 1.E63 1.E63 C Shift Assignments>> C :: 176.913 CA :: 63.287 CB :: 38.877 CG1 :: 28.464 CG2 :: 16.985 CD1 :: 12.856 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 :: 8.452 HA :: 3.528 HB :: 1.67 HG12 :: 0.845 HG13 :: 1.521 HG21 :: 0.684 HG22 :: 0.684 HG23 :: 0.684 HD11 :: 0.483 HD12 :: 0.483 HD13 :: 0.483 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.167 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 K 0.14 Q 0.06 I 0.05 M 0.02 C Shift Assignments>> C :: 175.456 CA :: 56.174 CB :: 28.725 CG :: 36.156 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 :: 8.5 HA :: 4.956 HB2 :: 2.003 HB3 :: 2.121 HG2 :: 2.448 HG3 :: 2.448 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 :: 129.247 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.13 Q 0.13 W 0.12 E 0.12 C 0.12 K 0.09 M 0.07 I 0.01 HN Overlap>> 1.E54 1.E54 C Shift Assignments>> C :: 171.375 CA :: 55.951 CB :: 30.074 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.26 HA :: 4.889 HB2 :: 2.877 HB3 :: 3.495 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.145 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.T31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.948 CA :: 62.861 CB :: 68.317 CG2 :: 22.923 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 :: 10.719(S) HA :: 4.632 HB :: 3.901 HG21 :: 1.007 HG22 :: 1.007 HG23 :: 1.007 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.554 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.18 A 0.01 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> C :: 173.551 CA :: 58.972 CB :: 33.151 CG1 :: 21.986 CG2 :: 17.657 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 :: 8.693 HA :: 5.021 HB :: 2.99 HG11 :: 0.648 HG12 :: 0.648 HG13 :: 0.648 HG21 :: 0.661 HG22 :: 0.661 HG23 :: 0.661 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 :: 119.418 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 174.84 CA :: 57.383 CB :: 40.189 CD1 :: 133.308 CD2 :: 133.308 CE1 :: 117.965 CE2 :: 117.965 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 :: 8.944 HA :: 4.92 HB2 :: 2.494 HB3 :: 2.933 HD1 :: 6.898 HD2 :: 6.898 HE1 :: 6.372 HE2 :: 6.372 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.457 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.S34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.81 T 0.18 C Shift Assignments>> C :: 170.764 CA :: 56.613 CB :: 66.664 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.679 HA :: 4.723 HB2 :: 1.994(S) HB3 :: 3.469 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.362 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.4 C Shift Assignments>> C :: 176.683 CA :: 59.304 CB :: 35.022 CG1 :: 21.196 CG2 :: 20.609 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 :: 9.344 HA :: 5.081 HB :: 1.652 HG11 :: 0.804 HG12 :: 0.804 HG13 :: 0.804 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 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 :: 117.878 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.13 C 0.12 K 0.08 R 0.04 F 0.04 Y 0.03 HN Overlap>> 1.C61 1.N133 1.C61 1.N133 C Shift Assignments>> C :: 178.171 CA :: 52.111 CB :: 41.734 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 :: 8.635 HA :: 4.871 HB2 :: 2.76 HB3 :: 3.413 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.153 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.38 D 0.16 C Shift Assignments>> C :: 175.784 CA :: 55.26 CB :: 37.934 CG :: 176.763 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 :: 8.746 HA :: 4.412 HB2 :: 2.824 HB3 :: 2.857 HD21 :: 7.513 HD22 :: 6.755 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 :: 115.359 ND2 :: 111.68 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 N 0.41 C 0.14 C Shift Assignments>> C :: 175.193 CA :: 52.801 CB :: 40.094 CG :: 177.46 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 :: 8.346 HA :: 4.908 HB2 :: 2.638 HB3 :: 2.955 HD21 :: 7.662 HD22 :: 6.817 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 :: 117.095 ND2 :: 113.723 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.975 CA :: 45.55 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.108 HA2 :: 3.443 HA3 :: 4.159 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.451 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.33 C 0.17 HN Overlap>> 1.Q116 1.Q116 C Shift Assignments>> C :: 174.193 CA :: 53.236 CB :: 39.23 CG :: 177.219 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 :: 8.548 HA :: 4.763 HB2 :: 2.662 HB3 :: 2.967 HD21 :: 8.361 HD22 :: 7.127 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 :: 120.176 ND2 :: 117.84 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.I41 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>> C :: 176.296 CA :: 59.769 CB :: 38.945 CG1 :: 28.444 CG2 :: 17.952 CD1 :: 13.268 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 :: 8.449 HA :: 5.207 HB :: 1.802 HG12 :: 1.204 HG13 :: 1.669 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 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 :: 123.546 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 172.021 CA :: 55.764 CB :: 40.016 CD1 :: 134.12 CD2 :: 134.12 CE1 :: 117.686 CE2 :: 117.686 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 :: 9.35 HA :: 5.04 HB2 :: 2.945 HB3 :: 3.122 HD1 :: 6.975 HD2 :: 6.975 HE1 :: 6.326 HE2 :: 6.326 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 :: 127.535 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.3 A 0.02 C Shift Assignments>> C :: 174.891 CA :: 58.003 CB :: 70.818 CG2 :: 21.82 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 :: 7.864 HA :: 5.479 HB :: 3.795 HG21 :: 0.343 HG22 :: 0.343 HG23 :: 0.343 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.093 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.24 M 0.21 Q 0.13 R 0.1 E 0.01 C Shift Assignments>> C :: 171.261 CA :: 53.838 CB :: 29.822 CG :: 32.079 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 :: 8.707 HA :: 5.121 HB2 :: 2.156 HB3 :: 2.26 HG2 :: 1.917 HG3 :: 2.086 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.938 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.378 CA :: 62.417 CB :: 32.485 CG :: 27.452 CD :: 50.907 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 :: 4.938 HB2 :: 1.796 HB3 :: 2.361 HG2 :: 2.056 HG3 :: 2.057 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.V46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.66 C 0.32 HN Overlap>> 1.R110 1.R110 C Shift Assignments>> C :: 175.094 CA :: 65.825 CB :: 31.658 CG1 :: 20.932 CG2 :: 25.779 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 :: 8.41 HA :: 3.342 HB :: 1.727 HG11 :: -0.247(S) HG12 :: -0.247(S) HG13 :: -0.247(S) HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 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 :: 121.413 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 L 0.26 M 0.14 C 0.12 K 0.01 C Shift Assignments>> C :: 176.093 CA :: 51.684 CB :: 22.097 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.429 HA :: 4.29 HB1 :: 1.204 HB2 :: 1.204 HB3 :: 1.204 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.124 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.Q48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.74 Q 0.16 E 0.08 C Shift Assignments>> C :: 172.784 CA :: 54.722 CB :: 33.817 CG :: 33.561 CD :: 179.961 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 :: 6.972 HA :: 4.249 HB2 :: 1.128(S) HB3 :: 1.345 HG2 :: 2.026 HG3 :: 2.238 HE21 :: 7.529 HE22 :: 6.776 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 :: 114.242 NE2 :: 112.165 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.W49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.46 C Shift Assignments>> C :: 174.136 CA :: 58.6 CB :: 31.56 CD1 :: 125.612 CE3 :: 120.297 CZ3 :: 121.86 CH2 :: 124.326 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.622 HA :: 4.359 HB2 :: 3.012 HB3 :: 3.309 HD1 :: 7.005 HE1 :: 9.483 HE3 :: 7.498 HZ3 :: 6.87 HH2 :: 7.024 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.692 NE1 :: 127.629 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) FLAG polypeptide(L) 1.H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 C 0.35 W 0.24 C Shift Assignments>> C :: 174.009 CA :: 55.076 CB :: 32.14 CD2 :: 118.634 CE1 :: 136.529 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 :: 8.431 HA :: 5.093 HB2 :: 2.569 HB3 :: 2.891 HD2 :: 6.248 HE1 :: 8.511 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.057 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.18 L 0.14 C 0.11 F 0.08 Y 0.07 K 0.06 R 0.01 C Shift Assignments>> C :: 177.467 CA :: 53.747 CB :: 40.616 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 :: 9.127 HA :: 4.745 HB2 :: 2.544 HB3 :: 3.087 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.583 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.3 K 0.13 G 0.05 L 0.04 C Shift Assignments>> C :: 175.813 CA :: 54.658 CB :: 29.911 CG :: 26.818 CD :: 43.034 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 :: 8.068 HA :: 4.325 HB2 :: 1.264 HB3 :: 1.762 HG2 :: 1.447 HG3 :: 1.447 HD2 :: 2.882 HD3 :: 3.157 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.878 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.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 171.802 CA :: 45.059 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.472 HA2 :: 3.8 HA3 :: 3.89 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.13 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.38 M 0.09 I 0.04 K 0.03 HN Overlap>> 1.C30 1.C30 1.K115 1.K115 C Shift Assignments>> C :: 176.802 CA :: 55.646 CB :: 30.588 CG :: 37.305 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 :: 8.191 HA :: 4.541 HB2 :: 1.693 HB3 :: 1.835 HG2 :: 1.768 HG3 :: 2.029 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.067 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.37 E 0.03 Q 0.03 C Shift Assignments>> C :: 174.228 CA :: 53.876 CB :: 34.286 CG :: 33.94 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 :: 8.601 HA :: 4.751 HB2 :: 1.437 HB3 :: 2.416 HG2 :: 2.069 HG3 :: 2.279 HE21 :: 7.184 HE22 :: 7.066 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 :: 122.865 NE2 :: 111.167 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.09 M 0.08 K 0.03 Q 0.01 HN Overlap>> 1.V32 1.V32 C Shift Assignments>> C :: 175.499 CA :: 57.722 CB :: 30.611 CG :: 36.806 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 :: 8.754 HA :: 4.094 HB2 :: 1.968 HB3 :: 2.254 HG2 :: 2.367 HG3 :: 2.471 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.352 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 173.242 CA :: 62.204 CB :: 33.955 CG1 :: 22.963 CG2 :: 24.579 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 :: 8.38 HA :: 4.086 HB :: 1.651 HG11 :: 0.705 HG12 :: 0.705 HG13 :: 0.705 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.588 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 C 0.28 Y 0.18 G 0.04 C Shift Assignments>> C :: 172.232 CA :: 56.267 CB :: 42.709 CD1 :: 131.684 CD2 :: 131.684 CE1 :: 131.361 CE2 :: 131.361 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 :: 8.659 HA :: 4.701 HB2 :: 2.013 HB3 :: 2.905 HD1 :: 7.063 HD2 :: 7.063 HE1 :: 7.415 HE2 :: 7.415 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 :: 125.209 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 K 0.05 E 0.03 M 0.03 C Shift Assignments>> C :: 174.383 CA :: 54.777 CB :: 33.352 CG :: 39.163 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 :: 9.323 HA :: 4.79 HB2 :: 1.787 HB3 :: 1.955 HG2 :: 1.77 HG3 :: 1.769 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.88 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.22 E 0.16 F 0.14 I 0.07 N 0.03 M 0.02 D 0.02 K 0.01 C Shift Assignments>> C :: 173.864 CA :: 57.228 CB :: 37.633 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 :: 9.778 HA :: 4.813 HB2 :: 2.581 HB3 :: 2.784 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 :: 131.519 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 L 0.14 Q 0.12 C 0.11 K 0.11 H 0.08 W 0.08 E 0.06 I 0.05 HN Overlap>> 1.D36 1.D36 1.N133 1.N133 C Shift Assignments>> C :: 174.699 CA :: 57.151 CB :: 27.293 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.616 HA :: 5.147 HB2 :: 2.576 HB3 :: 3.114 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 :: 124.097 Ave N Shift Values>> N :: 119.95(4.79) FLAG polypeptide(L) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.36 K 0.16 L 0.04 G 0.01 C Shift Assignments>> C :: 179.761 CA :: 56.066 CB :: 42.241 CG :: 30.322 CD1 :: 25.051 CD2 :: 26.204 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 :: 9.407 HA :: 4.91 HB2 :: 1.801 HB3 :: 2.189 HG :: 1.585 HD11 :: 0.565 HD12 :: 0.565 HD13 :: 0.565 HD21 :: 0.545 HD22 :: 0.545 HD23 :: 0.545 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 :: 130.268 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.29 I 0.24 M 0.03 HN Overlap>> 1.I28 1.I28 C Shift Assignments>> C :: 175.54 CA :: 59.667 CB :: 31.029 CG :: 37.546 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 :: 8.529 HA :: 4.058 HB2 :: 2.141 HB3 :: 2.195 HG2 :: 2.343 HG3 :: 2.504 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.173 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.2 L 0.14 C 0.11 F 0.07 Y 0.06 K 0.06 R 0.01 C Shift Assignments>> C :: 177.186 CA :: 53.301 CB :: 40.691 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 :: 7.483 HA :: 4.683 HB2 :: 2.569 HB3 :: 3.109 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 :: 114.528 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.586 CA :: 45.115 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.153 HA2 :: 3.53 HA3 :: 4.309 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.075 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D95 1.D95 1.M77 1.M77 C Shift Assignments>> C :: 172.105 CA :: 60.133 CB :: 63.691 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.309 HA :: 4.324 HB2 :: 3.994 HB3 :: 4.126 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 :: 118.383 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.25 C 0.24 A 0.01 C Shift Assignments>> C :: 177.575 CA :: 54.04 CB :: 46.189 CD1 :: 25.587 CD2 :: 24.374 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 :: 8.231 HA :: 5.443 HB2 :: 1.177 HB3 :: 1.688 HG :: 1.297 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 HD21 :: 0.786 HD22 :: 0.786 HD23 :: 0.786 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 :: 118.475 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.I68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.68 C 0.28 G 0.03 C Shift Assignments>> C :: 174.562 CA :: 61.598 CB :: 42.28 CG1 :: 27.151 CG2 :: 17.681 CD1 :: 13.18 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 :: 8.897 HA :: 4.115 HB :: 1.252 HG12 :: 0.65 HG13 :: 1.085 HG21 :: 0.584 HG22 :: 0.584 HG23 :: 0.584 HD11 :: -0.311(S) HD12 :: -0.311(S) HD13 :: -0.311(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.282 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.36 G 0.17 K 0.04 L 0.01 HN Overlap>> 1.K75 1.K75 C Shift Assignments>> C :: 173.908 CA :: 55.183 CB :: 29.558 CG :: 28.691 CD :: 43.872 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 :: 9.515 HA :: 5.678 HB2 :: 1.382 HB3 :: 2.175 HG2 :: 1.344 HG3 :: 1.603 HD2 :: 2.959 HD3 :: 3.375 HE :: 8.136 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 :: 129.605 NE :: 86.19 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.A70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.61 L 0.15 C 0.12 K 0.04 R 0.03 H 0.01 C Shift Assignments>> C :: 177.127 CA :: 50.528 CB :: 25.231(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.004 HA :: 5.314 HB1 :: 1.754 HB2 :: 1.754 HB3 :: 1.754 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.452 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.711 CA :: 62.15 CB :: 70.012 CG2 :: 22.574 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 :: 8.559 HA :: 5.176 HB :: 4.994 HG21 :: 1.364 HG22 :: 1.364 HG23 :: 1.364 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 :: 110.6 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.K72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.1 M 0.02 C Shift Assignments>> C :: 176.631 CA :: 59.198 CB :: 33.782 CG :: 24.795 CD :: 29.837 CE :: 41.35 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 :: 9.015 HA :: 4.292 HB2 :: 1.519 HB3 :: 1.656 HG2 :: 1.178 HG3 :: 1.303 HD2 :: 1.25 HD3 :: 1.373 HE2 :: 2.251(S) HE3 :: 2.484 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.694 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.31 C 0.12 L 0.09 F 0.05 Y 0.05 K 0.02 C Shift Assignments>> C :: 177.051 CA :: 52.532 CB :: 40.202 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 :: 8.787 HA :: 4.542 HB2 :: 2.612 HB3 :: 2.86 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 :: 110.084 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.H74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 H 0.34 C 0.27 C Shift Assignments>> C :: 176.08 CA :: 58.077 CB :: 28.496 CD2 :: 121.288 CE1 :: 137.532 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.905 HA :: 4.301 HB2 :: 3.235 HB3 :: 3.547 HD2 :: 6.723 HE1 :: 7.962 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.321 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) FLAG polypeptide(L) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.3 R 0.3 M 0.01 G 0.01 HN Overlap>> 1.R69 1.R69 C Shift Assignments>> C :: 178.158 CA :: 57.167 CB :: 34.077 CG :: 26.212 CD :: 29.493 CE :: 42.282 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 :: 9.426 HA :: 4.941 HB2 :: 1.096 HB3 :: 1.717 HG2 :: 1.574 HG3 :: 1.574 HE2 :: 2.912 HE3 :: 2.912 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 129.62 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.2 Y 0.05 F 0.02 C Shift Assignments>> C :: 173.66 CA :: 56.832 CB :: 45.691 CD1 :: 133.045 CD2 :: 133.045 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 :: 9.065 HA :: 5.05 HB2 :: 2.585 HB3 :: 2.878 HD1 :: 7.228 HD2 :: 7.228 HE1 :: 6.816 HE2 :: 6.816 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.901 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.M77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.38 A 0.19 I 0.01 HN Overlap>> 1.D95 1.S66 1.D95 1.S66 C Shift Assignments>> C :: 177.812 CA :: 55.47 CB :: 35.407 CG :: 32.029 CE :: 17.671 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 :: 8.344 HA :: 5.35 HB2 :: 1.675 HB3 :: 2.126 HG2 :: 2.371 HG3 :: 2.855 HE1 :: 1.943 HE2 :: 1.943 HE3 :: 1.943 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 :: 118.408 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 176.895 CA :: 60.955 CB :: 71.032 CG2 :: 22.714 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 :: 9.312 HA :: 5.051 HB :: 4.644 HG21 :: 1.151 HG22 :: 1.151 HG23 :: 1.151 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.26 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 175.181 CA :: 65.021 CB :: 32.197 CG1 :: 21.183 CG2 :: 21.703 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 :: 8.301 HA :: 3.829 HB :: 1.991 HG11 :: 1.015 HG12 :: 1.015 HG13 :: 1.015 HG21 :: 1.04 HG22 :: 1.04 HG23 :: 1.04 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.867 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.28 C 0.13 L 0.09 F 0.08 Y 0.08 K 0.01 C Shift Assignments>> C :: 176.39 CA :: 53.601 CB :: 39.888 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 :: 8.243 HA :: 4.612 HB2 :: 2.721 HB3 :: 2.899 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 :: 117.337 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.435 CA :: 45.849 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.328 HA2 :: 3.605 HA3 :: 4.157 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.097 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.23 M 0.2 Q 0.17 K 0.09 C Shift Assignments>> C :: 174.383 CA :: 55.662 CB :: 30.802 CG :: 34.947 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.322 HA :: 4.318 HB2 :: 1.906 HB3 :: 2.047 HG2 :: 2.043 HG3 :: 2.295 HE21 :: 8.136 HE22 :: 6.667 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.797 NE2 :: 113.234 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.39 M 0.37 C 0.23 C Shift Assignments>> C :: 174.761 CA :: 53.627 CB :: 32.807 CG :: 32.465 CE :: 18.103 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 :: 8.584 HA :: 4.981 HB2 :: 1.552 HB3 :: 2.108 HG2 :: 2.521 HG3 :: 2.608 HE1 :: 2.101 HE2 :: 2.101 HE3 :: 2.101 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.793 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.09 A 0.06 C Shift Assignments>> C :: 173.67 CA :: 51.328 CB :: 45.668 CG :: 26.797 CD1 :: 26.08 CD2 :: 22.787 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 :: 8.292 HA :: 5.068 HB2 :: 1.297 HB3 :: 1.299 HG :: 1.374 HD11 :: 0.67 HD12 :: 0.67 HD13 :: 0.67 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 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 :: 122.885 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 178.068 CA :: 63.065 CB :: 33.016 CG :: 28.12 CD :: 50.75 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 :: 4.053 HB2 :: 2.008 HB3 :: 2.501 HG2 :: 1.998 HG3 :: 2.321 HD2 :: 3.801 HD3 :: 3.801 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.I86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 175.402 CA :: 63.699 CB :: 37.364 CG1 :: 28.399 CG2 :: 16.973 CD1 :: 14.546 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 :: 8.934 HA :: 3.829 HB :: 1.96 HG12 :: -0.299(S) HG13 :: 0.364 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 HD11 :: -0.174 HD12 :: -0.174 HD13 :: -0.174 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 :: 126.319 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 K 0.17 F 0.14 C 0.14 L 0.13 Y 0.1 I 0.03 D 0.02 G 0.01 C Shift Assignments>> C :: 177.996 CA :: 58.599 CB :: 42.526 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 :: 7.718 HA :: 4.634 HB2 :: 2.43 HB3 :: 2.875 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 :: 119.849 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.16 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 178.077 CA :: 58.733 CB :: 29.721 CG :: 36.546 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 :: 7.1 HA :: 4.128 HB2 :: 2.078 HB3 :: 2.081 HG2 :: 2.036 HG3 :: 2.338 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 :: 117.137 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.971 CA :: 66.444 CB :: 38.093 CG1 :: 30.179 CG2 :: 17.32 CD1 :: 14.892 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 :: 7.649 HA :: 3.29 HB :: 1.918 HG12 :: 0.556 HG13 :: 1.67 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 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 :: 121.086 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.37 C 0.25 C Shift Assignments>> C :: 178.886 CA :: 59.647 CB :: 38.713 CD1 :: 131.754 CD2 :: 131.754 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 :: 8.13 HA :: 4.515 HB2 :: 3.243 HB3 :: 3.368 HD1 :: 7.172 HD2 :: 7.172 HE1 :: 7.113 HE2 :: 7.113 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 :: 116.562 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.27 K 0.04 M 0.02 Q 0.01 HN Overlap>> 1.K106 1.K106 C Shift Assignments>> C :: 178.5 CA :: 59.861 CB :: 29.701 CG :: 36.711 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 :: 8.612 HA :: 3.453 HB2 :: 1.974 HB3 :: 2.088 HG2 :: 2.222 HG3 :: 2.583 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.63 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.31 G 0.29 K 0.01 C Shift Assignments>> C :: 174.478 CA :: 56.412 CB :: 30.631 CG :: 27.624 CD :: 44.683 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 :: 8.305 HA :: 4.175 HB2 :: 1.573 HB3 :: 2.043 HG2 :: 1.591 HG3 :: 1.899 HD2 :: 3.009 HD3 :: 3.256 HE :: 7.465 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 :: 114.754 NE :: 84.425 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.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.18 I 0.11 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 175.526 CA :: 56.337 CB :: 26.719 CG :: 36.428 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.534 HA :: 4.233 HB2 :: 2.003 HB3 :: 2.177 HG2 :: 1.995 HG3 :: 2.179 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 :: 116.115 Ave N Shift Values>> N :: 120.68(3.68) FLAG polypeptide(L) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 A 0.2 C 0.19 G 0.08 R 0.07 C Shift Assignments>> C :: 175.798 CA :: 53.508 CB :: 43.131 CG :: 26.72 CD1 :: 26.055 CD2 :: 21.753 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 :: 7.881 HA :: 4.498 HB2 :: 1.482 HB3 :: 1.639 HG :: 1.483 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.297 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.24 K 0.14 C 0.1 R 0.09 N 0.06 F 0.05 Y 0.04 HN Overlap>> 1.S66 1.M77 1.S66 1.M77 C Shift Assignments>> C :: 176.747 CA :: 53.863 CB :: 41.972 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 :: 8.339 HA :: 4.671 HB2 :: 2.238 HB3 :: 2.472 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.4 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.35 L 0.17 K 0.08 G 0.01 C Shift Assignments>> C :: 176.877 CA :: 56.025 CB :: 42.194 CG :: 29.071 CD1 :: 26.44 CD2 :: 26.082 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 :: 8.756 HA :: 4.365 HB2 :: 1.765 HB3 :: 1.942 HG :: 1.539 HD11 :: 0.543 HD12 :: 0.543 HD13 :: 0.543 HD21 :: 0.688 HD22 :: 0.688 HD23 :: 0.688 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 :: 123.994 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.M97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.37 A 0.19 HN Overlap>> 1.R110 1.R110 C Shift Assignments>> C :: 175.113 CA :: 55.504 CB :: 33.734 CG :: 32.464 CE :: 17.838 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 :: 8.27 HA :: 4.183 HB2 :: 1.687 HB3 :: 1.686 HG2 :: 2.42 HG3 :: 2.49 HE1 :: 2.116 HE2 :: 2.116 HE3 :: 2.116 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.478 Ave N Shift Values>> N :: 120.1(3.88) FLAG polypeptide(L) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.48 C Shift Assignments>> C :: 176.839 CA :: 54.482 CB :: 36.374 CG :: 27.262 CD :: 44.638 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 :: 8.361 HA :: 5.08 HB2 :: 1.388 HB3 :: 1.678 HG2 :: 1.067 HG3 :: 1.444 HD2 :: 2.814 HD3 :: 3.074 HE :: 6.171 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.127 NE :: 84.012 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.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 174.441 CA :: 61.356 CB :: 32.123 CG1 :: 22.085 CG2 :: 18.316 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 :: 8.268 HA :: 4.264 HB :: 2.205 HG11 :: 0.783 HG12 :: 0.783 HG13 :: 0.783 HG21 :: 0.701 HG22 :: 0.701 HG23 :: 0.701 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 :: 115.171 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 N 0.17 C 0.16 Y 0.15 F 0.14 L 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 175.026 CA :: 55.078 CB :: 39.591 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 :: 8.056 HA :: 4.215 HB2 :: 2.513 HB3 :: 2.753 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 :: 114.514 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 N 0.29 D 0.24 E 0.06 C Shift Assignments>> C :: 174.84 CA :: 54.183 CB :: 37.682 CG :: 178.694 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 :: 8.553 HA :: 4.316 HB2 :: 2.732 HB3 :: 2.945 HD21 :: 7.515 HD22 :: 6.83 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 :: 111.759 ND2 :: 113.011 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.26 A 0.1 K 0.01 C Shift Assignments>> C :: 174.838 CA :: 53.63 CB :: 41.082 CD1 :: 25.189 CD2 :: 22.643 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 :: 7.163 HA :: 4.406 HB2 :: 1.11 HB3 :: 1.481 HG :: 1.598 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.527 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.P103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.36 CA :: 63.007 CB :: 32.145 CG :: 27.565 CD :: 50.259 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 :: 4.342 HB2 :: 1.824 HB3 :: 2.252 HG2 :: 1.929 HG3 :: 2.01 HD2 :: 3.485 HD3 :: 3.745 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.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.29 D 0.22 C Shift Assignments>> C :: 174.355 CA :: 54.649 CB :: 38.727 CG :: 176.318 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 :: 8.436 HA :: 4.619 HB2 :: 2.63 HB3 :: 2.636 HD21 :: 7.643 HD22 :: 7.186 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 :: 119.725 ND2 :: 111.706 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.43 G 0.08 C Shift Assignments>> C :: 173.397 CA :: 59.918 CB :: 42.762 CG1 :: 26.086 CG2 :: 18.26 CD1 :: 14.77 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 :: 7.977 HA :: 4.709 HB :: 2.041 HG12 :: 1.424 HG13 :: 1.618 HG21 :: 0.982 HG22 :: 0.982 HG23 :: 0.982 HD11 :: 0.969 HD12 :: 0.969 HD13 :: 0.969 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.581 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.4 R 0.13 M 0.02 G 0.01 HN Overlap>> 1.E91 1.E91 C Shift Assignments>> C :: 176.197 CA :: 54.598 CB :: 35.192 CG :: 24.361 CD :: 29.081 CE :: 42.269 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 :: 8.58 HA :: 4.692 HB2 :: 1.651 HB3 :: 1.79 HG2 :: 1.285 HG3 :: 1.285 HD2 :: 1.483 HD3 :: 1.482 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 :: 121.646 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.32 C Shift Assignments>> C :: 175.233 CA :: 63.034 CB :: 38.806 CG1 :: 28.099 CG2 :: 21.987 CD1 :: 14.83 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 :: 9.67 HA :: 3.964 HB :: 1.997 HG12 :: 0.575 HG13 :: 1.852 HG21 :: 1.064 HG22 :: 1.064 HG23 :: 1.064 HD11 :: 0.624 HD12 :: 0.624 HD13 :: 0.624 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.534 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.35 M 0.32 L 0.18 C 0.08 V 0.02 T 0.01 C Shift Assignments>> C :: 178.293 CA :: 54.282 CB :: 21.143 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.519 HA :: 4.622 HB1 :: 1.437 HB2 :: 1.437 HB3 :: 1.437 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.828 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 T 0.38 C Shift Assignments>> C :: 171.166 CA :: 60.079 CB :: 73.743 CG2 :: 21.852 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 :: 7.939 HA :: 4.824 HB :: 4.224 HG21 :: 1.15 HG22 :: 1.15 HG23 :: 1.15 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.364 Ave N Shift Values>> N :: 115.7(5.05) FLAG polypeptide(L) 1.R110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 G 0.24 R 0.22 K 0.05 HN Overlap>> 1.M97 1.M97 1.V46 1.V46 C Shift Assignments>> C :: 174.676 CA :: 54.347 CB :: 33.607 CG :: 26.88 CD :: 43.992 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 :: 8.333 HA :: 4.656 HB2 :: 0.036(S) HB3 :: 1.118 HG2 :: 0.38(S) HG3 :: 0.91 HD2 :: 2.561 HD3 :: 2.727 HE :: 7.248 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 :: 121.389 NE :: 83.882 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.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.31 R 0.13 M 0.01 C Shift Assignments>> C :: 174.615 CA :: 54.57 CB :: 36.484 CG :: 24.35 CD :: 29.235 CE :: 41.75 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 :: 8.668 HA :: 4.737 HB2 :: 1.702 HB3 :: 1.71 HG2 :: 1.285 HG3 :: 1.275 HD2 :: 1.578 HD3 :: 1.578 HE2 :: 2.837 HE3 :: 2.864 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 :: 126.904 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Y112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 174.899 CA :: 57.831 CB :: 38.308 CD1 :: 133.291 CD2 :: 133.291 CE1 :: 118.1 CE2 :: 118.1 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 :: 9.007 HA :: 3.946 HB2 :: 2.71 HB3 :: 2.947 HD1 :: 6.341 HD2 :: 6.341 HE1 :: 6.498 HE2 :: 6.498 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 :: 126.054 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.23 A 0.08 G 0.04 R 0.04 C Shift Assignments>> C :: 176.563 CA :: 54.586 CB :: 42.798 CG :: 26.324 CD1 :: 25.051 CD2 :: 22.425 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 :: 8.008 HA :: 4.221 HB2 :: 1.19 HB3 :: 1.192 HG :: 1.315 HD11 :: 0.72 HD12 :: 0.72 HD13 :: 0.72 HD21 :: 0.601 HD22 :: 0.601 HD23 :: 0.601 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 :: 127.227 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.G114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.27 L 0.26 G 0.25 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.595 CA :: 44.033 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.766(S) HA2 :: 3.148 HA3 :: 4.055 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.413 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.22 M 0.01 HN Overlap>> 1.E54 1.E54 C Shift Assignments>> C :: 176.985 CA :: 55.737 CB :: 33.051 CG :: 25.823 CD :: 29.14 CE :: 41.87 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 :: 8.234 HA :: 4.749 HB2 :: 1.394 HB3 :: 1.597 HG2 :: 1.052 HG3 :: 1.053 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.98 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 Q 0.21 E 0.05 HN Overlap>> 1.N40 1.N40 C Shift Assignments>> C :: 174.295 CA :: 53.631 CB :: 33.009 CG :: 32.802 CD :: 180.127 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 :: 8.641 HA :: 4.713 HB2 :: 1.668 HB3 :: 2.186 HG2 :: 1.94 HG3 :: 2.315 HE21 :: 7.189 HE22 :: 6.351 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 :: 120.133 NE2 :: 108.335 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) FLAG polypeptide(L) 1.N117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.37 C 0.25 C Shift Assignments>> C :: 175.092 CA :: 54.796 CB :: 39.436 CG :: 177.329 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 :: 8.897 HA :: 4.617 HB2 :: 2.532 HB3 :: 2.91 HD21 :: 6.594 HD22 :: 7.592 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 :: 121.66 ND2 :: 113.495 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 I 0.01 C Shift Assignments>> C :: 175.567 CA :: 60.323 CB :: 35.099 CG1 :: 23.309 CG2 :: 21.27 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 :: 8.282 HA :: 5.011 HB :: 2.16 HG11 :: 0.671 HG12 :: 0.671 HG13 :: 0.671 HG21 :: 0.581 HG22 :: 0.581 HG23 :: 0.581 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 :: 117.579 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.Y119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.19 Y 0.09 C Shift Assignments>> C :: 174.207 CA :: 58.735 CB :: 45.706 CD1 :: 133.072 CD2 :: 133.072 CE1 :: 118.567 CE2 :: 118.567 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 :: 8.833 HA :: 5.31 HB2 :: 2.453 HB3 :: 3.114 HD1 :: 7.103 HD2 :: 7.103 HE1 :: 6.91 HE2 :: 6.91 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 :: 115.655 Ave N Shift Values>> N :: 120.79(4.69) FLAG polypeptide(L) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.14 C 0.13 R 0.02 C Shift Assignments>> C :: 173.89 CA :: 54.304 CB :: 45.751 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 :: 9.601 HA :: 5.341 HB2 :: 2.59 HB3 :: 2.966 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 :: 119.54 Ave N Shift Values>> N :: 120.73(4.2) FLAG polypeptide(L) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.39 G 0.04 A 0.01 C Shift Assignments>> C :: 173.534 CA :: 59.099 CB :: 42.325 CG1 :: 25.203 CG2 :: 18.478 CD1 :: 14.507 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 :: 7.385 HA :: 4.598 HB :: 1.356 HG12 :: 0.044 HG13 :: 0.37 HG21 :: 0.561 HG22 :: 0.561 HG23 :: 0.561 HD11 :: -0.004 HD12 :: -0.004 HD13 :: -0.004 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 :: 111.427 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.G122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.27 G 0.16 C 0.09 D 0.03 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 172.283 CA :: 43.777 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.12 HA2 :: 3.534 HA3 :: 4.924 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.096 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.29 I 0.03 C Shift Assignments>> C :: 175.801 CA :: 59.46 CB :: 35.194 CG1 :: 22.299 CG2 :: 19.411 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 :: 8.689 HA :: 4.506 HB :: 2.069 HG11 :: 0.68 HG12 :: 0.68 HG13 :: 0.68 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.777 Ave N Shift Values>> N :: 121.02(4.96) FLAG polypeptide(L) 1.E124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.437 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) FLAG polypeptide(L) 1.R125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.D126 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable FLAG polypeptide(L) 1.H127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.51 H 0.48 C Shift Assignments>> CB :: 26.128 CD2 :: 120.153 CE1 :: 139.042 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 :: 8.608 HA :: 4.335 HB2 :: 3.442 HB3 :: 3.572 HD2 :: 7.286 HE1 :: 7.684 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) FLAG polypeptide(L) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.15 C 0.11 K 0.08 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 172.163 CA :: 52.875 CB :: 41.301 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 :: 8.229 HA :: 5.272 HB2 :: 2.476 HB3 :: 2.571 HD21 :: 6.67 HD22 :: 7.879 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>> ND2 :: 114.121 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.F129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.34 C 0.29 C Shift Assignments>> C :: 174.161 CA :: 55.41 CB :: 39.349 CD1 :: 132.579 CD2 :: 132.579 CE1 :: 130.763 CE2 :: 130.763 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 :: 8.217 HA :: 5.774 HB2 :: 2.846 HB3 :: 3.18 HD1 :: 6.709 HD2 :: 6.709 HE1 :: 7.044 HE2 :: 7.044 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 :: 113.532 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.15 C 0.03 L 0.01 C Shift Assignments>> C :: 178.472 CA :: 51.817 CB :: 20.024 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.464 HA :: 5.237 HB1 :: 1.335 HB2 :: 1.335 HB3 :: 1.335 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.641 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.24 L 0.14 R 0.02 C Shift Assignments>> C :: 177.544 CA :: 53.076 CB :: 45.82 CG :: 28.361 CD1 :: 26.404 CD2 :: 24.829 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 :: 9.037 HA :: 5.123 HB2 :: 1.934 HB3 :: 2.206 HG :: 1.922 HD11 :: 1.118 HD12 :: 1.118 HD13 :: 1.118 HD21 :: 1.042 HD22 :: 1.042 HD23 :: 1.042 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.333 Ave N Shift Values>> N :: 121.98(4.07) FLAG polypeptide(L) 1.K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.36 Q 0.06 R 0.05 M 0.04 V 0.04 I 0.01 C Shift Assignments>> C :: 176.365 CA :: 58.498 CB :: 33.742 CG :: 24.906 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 :: 7.804 HA :: 3.899 HB2 :: 1.804 HB3 :: 1.99 HG2 :: 1.456 HG3 :: 1.456 HE2 :: 2.952 HE3 :: 3.069 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 :: 119.118 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) FLAG polypeptide(L) 1.N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 N 0.24 Y 0.15 F 0.1 E 0.09 D 0.07 M 0.02 I 0.01 L 0.01 HN Overlap>> 1.D36 1.C61 1.D36 1.C61 C Shift Assignments>> C :: 174.158 CA :: 54.935 CB :: 37.792 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 :: 8.617 HA :: 4.214 HB2 :: 2.815 HB3 :: 3.179 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 :: 124.099 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) FLAG polypeptide(L) 1.G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 172.727 CA :: 46.407 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.149 HA2 :: 3.541 HA3 :: 3.737 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.537 Ave N Shift Values>> N :: 109.91(4.29) FLAG polypeptide(L) 1.F135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.36 C 0.25 C Shift Assignments>> C :: 173.569 CA :: 57.668 CB :: 40.028 CD1 :: 131.597 CD2 :: 131.597 CE1 :: 129.49 CE2 :: 129.49 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 :: 6.037 HA :: 4.838 HB2 :: 2.677 HB3 :: 3.514 HD1 :: 7.32 HD2 :: 7.32 HE1 :: 6.855 HE2 :: 6.855 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 :: 115.711 Ave N Shift Values>> N :: 120.69(4.18) FLAG polypeptide(L) 1.I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.41 A 0.01 C Shift Assignments>> C :: 174.656 CA :: 58.816 CB :: 38.372 CG1 :: 25.401 CG2 :: 18.471 CD1 :: 11.095 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 :: 9.571 HA :: 4.535 HB :: 1.914 HG12 :: 1.245 HG13 :: 1.297 HG21 :: 0.625 HG22 :: 0.625 HG23 :: 0.625 HD11 :: 0.562 HD12 :: 0.562 HD13 :: 0.562 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 :: 121.662 Ave N Shift Values>> N :: 121.6(4.72) FLAG polypeptide(L) 1.A137 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.82 M 0.08 C 0.05 L 0.02 C Shift Assignments>> C :: 175.729 CA :: 50.243 CB :: 20.679 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.11 HA :: 3.548 HB1 :: 0.234(S) HB2 :: 0.234(S) HB3 :: 0.234(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.024 Ave N Shift Values>> N :: 123.23(3.7) FLAG polypeptide(L) 1.S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 S 0.46 C Shift Assignments>> C :: 172.974 CA :: 56.7 CB :: 67.399 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.689 HA :: 5.106 HB2 :: 3.184 HB3 :: 3.804 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.757 Ave N Shift Values>> N :: 116.3(3.95) FLAG polypeptide(L) 1.N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 D 0.23 C 0.16 Y 0.12 F 0.11 L 0.07 I 0.01 K 0.01 C Shift Assignments>> C :: 178.809 CA :: 54.492 CB :: 39.423 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 :: 8.535 HA :: 4.224 HB2 :: 2.731 HB3 :: 2.869 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 :: 126.338 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 124 #Clerical: 0 #Suspicious: 15 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 136 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 138 #Suspicious: 1 C Shift Results: #Consistent: 610 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 944 #Duplicate: 0 #Unknown: 0 #Suspicious: 25 #Anomalous: 0 N Shift Results: #Consistent: 146 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E14 HB2 = 0.967(S), Expected = 2.04, Std = 0.2200, ChiSquare = 1.0756e-06 1.G21 HA2 = 1.386(S), Expected = 3.95, Std = 0.4000, ChiSquare = 1.4552e-10 1.G21 HA3 = 1.683(S), Expected = 3.93, Std = 0.4000, ChiSquare = 1.9374e-08 1.K22 H = 6.102(S), Expected = 8.22, Std = 0.6400, ChiSquare = 9.3505e-04 1.R27 HA = 2.593(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.3820e-04 1.R27 HB2 = 0.829(S), Expected = 1.79, Std = 0.2800, ChiSquare = 5.9883e-04 1.R27 HG2 = 0.483(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.8454e-05 1.R27 HG3 = 0.688(S), Expected = 1.58, Std = 0.2700, ChiSquare = 9.5417e-04 1.R27 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.T31 H = 10.719(S), Expected = 8.27, Std = 0.6200, ChiSquare = 7.8151e-05 1.S34 HB2 = 1.994(S), Expected = 3.88, Std = 0.2900, ChiSquare = 7.8499e-11 1.V46 HG11 = -0.247(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.6752e-05 1.V46 HG12 = -0.247(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.6752e-05 1.V46 HG13 = -0.247(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.6752e-05 1.Q48 HB2 = 1.128(S), Expected = 2.05, Std = 0.2800, ChiSquare = 9.9175e-04 1.I68 HD11 = -0.311(S), Expected = 0.70, Std = 0.3000, ChiSquare = 7.5168e-04 1.I68 HD12 = -0.311(S), Expected = 0.70, Std = 0.3000, ChiSquare = 7.5168e-04 1.I68 HD13 = -0.311(S), Expected = 0.70, Std = 0.3000, ChiSquare = 7.5168e-04 1.A70 CB = 25.231(S), Expected = 18.90, Std = 1.8500, ChiSquare = 6.2125e-04 1.K72 HE2 = 2.251(S), Expected = 2.93, Std = 0.2000, ChiSquare = 6.8629e-04 1.I86 HG12 = -0.299(S), Expected = 1.30, Std = 0.4000, ChiSquare = 6.4015e-05 1.R110 HB2 = 0.036(S), Expected = 1.79, Std = 0.2800, ChiSquare = 3.7454e-10 1.R110 HG2 = 0.38(S), Expected = 1.58, Std = 0.2700, ChiSquare = 8.8119e-06 1.G114 H = 5.766(S), Expected = 8.34, Std = 0.7400, ChiSquare = 5.0446e-04 1.A137 HB1 = 0.234(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.5616e-06 1.A137 HB2 = 0.234(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.5616e-06 1.A137 HB3 = 0.234(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.5616e-06