Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.527 HB :: 3.802 HG1 :: 6.846 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 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) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 H 0.25 M 0.15 Q 0.13 E 0.08 K 0.07 P 0.01 C Shift Assignments>> CA :: 52.961 CB :: 30.460 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 :: 8.941 HA :: 5.346 HB2 :: 3.049 HB3 :: 2.952 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 :: 122.777 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 A 0.26 L 0.21 C 0.12 C Shift Assignments>> CA :: 51.085 CB :: 43.585 CG :: 24.833 CD1 :: 23.897 CD2 :: 22.020 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 :: 8.930 HA :: 5.183 HB2 :: 1.422 HB3 :: 1.216 HG :: 1.412 HD11 :: 0.584 HD12 :: 0.584 HD13 :: 0.584 HD21 :: 0.595 HD22 :: 0.595 HD23 :: 0.595 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 :: 115.973 Ave N Shift Values>> N :: 121.98(4.07) 1.K5 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 C 0.4 M 0.04 C Shift Assignments>> CA :: 53.899 CB :: 31.397 CG :: 17.543(S) CD :: 26.704 CE :: 39.830 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 :: 8.972 HA :: 4.703 HB2 :: 1.762 HB3 :: 1.565 HG2 :: 1.256 HG3 :: 1.256 HD2 :: 1.550 HD3 :: 1.550 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 :: 119.600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.26 A 0.03 C Shift Assignments>> CA :: 56.711 CB :: 38.898 CG1 :: 25.772 CD1 :: 15.459 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 :: 8.593 HA :: 5.051 HB :: 1.257 HG12 :: 1.272 HG13 :: 1.272 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 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 :: 121.413 Ave N Shift Values>> N :: 121.6(4.72) 1.T7 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.39 I 0.23 V 0.17 T 0.09 C 0.06 A 0.02 C Shift Assignments>> CA :: 58.587 CG2 :: 19.209 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 :: 9.213 HA :: 4.594 HB :: 4.026 HG1 :: 8.948(A) HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 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 :: 119.373 Ave N Shift Values>> N :: 115.7(5.05) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.45 K 0.19 D 0.12 C 0.1 Y 0.06 G 0.03 I 0.02 C Shift Assignments>> CA :: 42.646 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.652 HA3 :: 3.586 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.26 M 0.1 E 0.07 C Shift Assignments>> CA :: 55.768 CB :: 33.270 CG :: 29.518 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 :: 8.533 HA :: 3.950 HB2 :: 2.567 HB3 :: 1.513 HG2 :: 2.006 HG3 :: 1.215 HE1 :: 1.398 HE2 :: 1.398 HE3 :: 1.398 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 114.387 Ave N Shift Values>> N :: 120.1(3.88) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 V 0.29 T 0.17 M 0.11 C 0.04 C Shift Assignments>> CA :: 60.456 CG2 :: 19.209 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 :: 8.110 HA :: 4.516 HB :: 4.358 HG21 :: 1.174 HG22 :: 1.174 HG23 :: 1.174 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 :: 106.000 Ave N Shift Values>> N :: 115.7(5.05) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 H 0.19 K 0.19 C 0.15 E 0.1 L 0.09 M 0.03 I 0.01 C Shift Assignments>> CA :: 54.831 CB :: 28.579 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.833 HA :: 3.774 HB2 :: 3.618 HB3 :: 3.326 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 :: 107.587 Ave N Shift Values>> N :: 119.95(4.79) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.14 M 0.13 H 0.12 Q 0.1 K 0.09 C 0.09 D 0.08 E 0.06 Y 0.06 A 0.03 S 0.02 C Shift Assignments>> CA :: 55.774 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 :: 8.416 HA :: 4.196 HB2 :: 3.350 HB3 :: 3.350 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 :: 114.160 Ave N Shift Values>> N :: 120.73(4.2) 1.S13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.192 HB2 :: 3.906 HB3 :: 3.906 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) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 C 0.2 E 0.14 K 0.09 H 0.08 Q 0.08 V 0.07 P 0.02 M 0.02 C Shift Assignments>> CA :: 60.456 CB :: 29.516 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.650 HA :: 4.195 HB2 :: 3.268 HB3 :: 3.102 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 :: 114.613 Ave N Shift Values>> N :: 119.95(4.79) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.47 C 0.01 C Shift Assignments>> CA :: 52.958 CB :: 16.396 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.068 HA :: 3.955 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.880 Ave N Shift Values>> N :: 123.23(3.7) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.33 C 0.01 C Shift Assignments>> CA :: 52.960 CB :: 15.459 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.429 HA :: 4.047 HB1 :: 1.359 HB2 :: 1.359 HB3 :: 1.359 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.973 Ave N Shift Values>> N :: 123.23(3.7) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 Q 0.18 K 0.17 C 0.15 H 0.14 E 0.08 I 0.03 M 0.01 C Shift Assignments>> CA :: 55.772 CB :: 27.641 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 :: 7.369 HA :: 4.578 HB2 :: 3.408 HB3 :: 3.283 HD2 :: 6.215 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 :: 113.484 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> CA :: 65.150 CB :: 29.522 CG1 :: 21.081 CG2 :: 22.957 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.964 HA :: 3.412 HB :: 2.125 HG11 :: 0.740 HG12 :: 0.740 HG13 :: 0.740 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.200 Ave N Shift Values>> N :: 121.02(4.96) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.12 K 0.06 C Shift Assignments>> CA :: 58.585 CB :: 31.396 CG :: 22.016 CD :: 28.579 CE :: 39.834 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 :: 8.330 HA :: 3.416 HB2 :: 1.928 HB3 :: 1.703 HG2 :: 1.473 HG3 :: 1.082 HD2 :: 1.762 HD3 :: 1.604 HE2 :: 3.171 HE3 :: 3.025 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.880 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.28 K 0.24 E 0.11 I 0.01 M 0.01 C Shift Assignments>> CA :: 56.711 CB :: 27.647 CG :: 34.210 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 :: 7.805 HA :: 3.941 HB2 :: 2.016 HB3 :: 2.016 HG2 :: 2.343 HG3 :: 2.134 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 :: 112.120 Ave N Shift Values>> N :: 120.68(3.68) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.35 C 0.01 C Shift Assignments>> CA :: 52.961 CB :: 17.334 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.695 HA :: 3.975 HB1 :: 1.347 HB2 :: 1.347 HB3 :: 1.347 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.523 Ave N Shift Values>> N :: 123.23(3.7) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.35 K 0.01 C Shift Assignments>> CA :: 55.668 CB :: 39.834 CG :: 24.834 CD2 :: 24.834 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.320 HA :: 3.861 HB2 :: 1.749 HB3 :: 0.952 HG :: 1.560 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.451 HD22 :: 0.451 HD23 :: 0.451 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 :: 113.480 Ave N Shift Values>> N :: 121.98(4.07) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 E 0.16 I 0.12 K 0.05 L 0.03 Q 0.01 C Shift Assignments>> CA :: 55.774 CB :: 26.709 CG :: 37.023 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 :: 8.051 HA :: 3.704 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 2.543 HG3 :: 1.813 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 109.858 Ave N Shift Values>> N :: 120.68(3.68) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 K 0.13 A 0.1 M 0.06 C Shift Assignments>> CA :: 53.899 CB :: 31.397 CG :: 22.959 CD :: 27.647 CE :: 39.835 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 :: 7.145 HA :: 4.204 HB2 :: 1.914 HB3 :: 1.719 HG2 :: 1.414 HG3 :: 1.414 HD2 :: 1.583 HD3 :: 1.583 HE2 :: 2.845 HE3 :: 2.845 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 :: 112.579 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.18 C Shift Assignments>> CA :: 59.524 CB :: 30.460 CG1 :: 18.270 CG2 :: 21.084 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.695 HA :: 4.004 HB :: 2.270 HG11 :: 0.742 HG12 :: 0.742 HG13 :: 0.742 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 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 :: 121.872 Ave N Shift Values>> N :: 121.02(4.96) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.5 C 0.48 G 0.01 C Shift Assignments>> CA :: 62.337 CB :: 29.522 CG :: 25.772 CD :: 49.211 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 :: 4.111 HB2 :: 2.184 HB3 :: 1.823 HG2 :: 1.956 HG3 :: 1.956 HD2 :: 3.543 HD3 :: 3.543 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) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 K 0.19 D 0.12 C 0.1 Y 0.06 G 0.03 I 0.02 C Shift Assignments>> CA :: 42.647 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.311 HA2 :: 4.780 HA3 :: 3.266 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.273 Ave N Shift Values>> N :: 109.91(4.29) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> CA :: 61.398 CB :: 29.522 CG1 :: 20.146 CG2 :: 22.020 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.976 HA :: 3.963 HB :: 2.297 HG11 :: 0.530 HG12 :: 0.530 HG13 :: 0.530 HG21 :: 0.731 HG22 :: 0.731 HG23 :: 0.731 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.823 Ave N Shift Values>> N :: 121.02(4.96) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.34 Q 0.21 M 0.05 E 0.01 C Shift Assignments>> CA :: 54.833 CB :: 27.644 CG :: 32.335 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.138 HA :: 4.232 HB2 :: 1.887 HB3 :: 1.887 HG2 :: 2.085 HG3 :: 2.085 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.133 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.774 CB :: 62.337 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.664 HA :: 4.455 HB2 :: 3.719 HB3 :: 3.719 HG :: 6.393 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 106.007 Ave N Shift Values>> N :: 116.3(3.95) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 C 0.08 M 0.06 G 0.06 L 0.03 C Shift Assignments>> CA :: 49.210 CB :: 21.084 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.396 HA :: 4.891 HB1 :: 1.041 HB2 :: 1.041 HB3 :: 1.041 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.187 Ave N Shift Values>> N :: 123.23(3.7) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 C 0.28 L 0.27 K 0.04 G 0.01 C Shift Assignments>> CA :: 52.024 CB :: 41.710 CD1 :: 22.022 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 :: 8.465 HA :: 4.575 HB2 :: 1.546 HB3 :: 1.546 HG :: 1.452 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 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 :: 119.827 Ave N Shift Values>> N :: 121.98(4.07) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.18 A 0.02 C Shift Assignments>> CA :: 58.587 CB :: 30.767 CG1 :: 16.569 CG2 :: 18.268 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 :: 8.838 HA :: 4.509 HB :: 1.937 HG11 :: 0.729 HG12 :: 0.729 HG13 :: 0.729 HG21 :: 0.596 HG22 :: 0.596 HG23 :: 0.596 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.004 Ave N Shift Values>> N :: 121.02(4.96) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.47 C 0.27 S 0.24 C Shift Assignments>> CA :: 52.961 CB :: 61.399 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.634 HA :: 4.779 HB2 :: 3.639 HB3 :: 3.639 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 :: 116.886 Ave N Shift Values>> N :: 116.3(3.95) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.19 Q 0.16 M 0.15 V 0.11 H 0.05 E 0.05 C Shift Assignments>> CA :: 58.587 CB :: 33.272 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 :: 9.414 HA :: 4.579 HB2 :: 3.135 HB3 :: 3.049 HD1 :: 6.818 HD2 :: 6.818 HE1 :: 6.986 HE2 :: 6.986 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.907 Ave N Shift Values>> N :: 120.79(4.69) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.53 P 0.35 G 0.11 C Shift Assignments>> CA :: 63.275 CB :: 29.522 CG :: 25.772 CD :: 48.273 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.374 HB2 :: 2.028 HB3 :: 1.444 HG2 :: 1.892 HG3 :: 1.692 HD2 :: 3.738 HD3 :: 3.738 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) 1.K37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.63 K 0.32 A 0.02 M 0.01 C Shift Assignments>> CA :: 53.899 CB :: 31.394 CG :: 23.891 CD :: 26.704 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 :: 7.339 HA :: 4.122 HB2 :: 1.756 HB3 :: 1.516 HG2 :: 1.203 HG3 :: 1.203 HD2 :: 1.458 HD3 :: 1.458 HE2 :: 2.803 HE3 :: 2.803 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 :: 106.687(S) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.24 C 0.12 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.523 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.924 HA2 :: 3.935 HA3 :: 3.549 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.140 Ave N Shift Values>> N :: 109.91(4.29) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.13 V 0.1 C 0.08 T 0.06 L 0.05 I 0.03 C Shift Assignments>> CA :: 56.711 CG2 :: 20.144 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 :: 7.576 HA :: 5.323 HB :: 4.038 HG21 :: 1.002 HG22 :: 1.002 HG23 :: 1.002 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 103.286 Ave N Shift Values>> N :: 115.7(5.05) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 A 0.23 C 0.08 L 0.05 M 0.02 C Shift Assignments>> CA :: 48.273 CB :: 22.020 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.744 HA :: 5.230 HB1 :: 0.999 HB2 :: 0.999 HB3 :: 0.999 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.200 Ave N Shift Values>> N :: 123.23(3.7) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 D 0.18 L 0.09 C 0.07 M 0.07 H 0.06 Q 0.03 K 0.03 Y 0.02 E 0.01 C Shift Assignments>> CA :: 52.961 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 :: 8.869 HA :: 4.781 HB2 :: 1.867 HB3 :: 1.867 HG2 :: 2.024 HG3 :: 2.024 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 :: 117.333 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.27 C 0.16 K 0.01 C Shift Assignments>> CA :: 52.023 CB :: 43.586 CG :: 25.770 CD1 :: 24.831 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 :: 9.211 HA :: 5.184 HB2 :: 1.423 HB3 :: 1.423 HG :: 1.356 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 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 :: 122.093 Ave N Shift Values>> N :: 121.98(4.07) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.09 G 0.04 C 0.01 C Shift Assignments>> CA :: 49.211 CB :: 17.334 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.200 HA :: 4.794 HB1 :: 1.276 HB2 :: 1.276 HB3 :: 1.276 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.325 Ave N Shift Values>> N :: 123.23(3.7) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 A 0.24 I 0.2 C Shift Assignments>> CA :: 55.773 CB :: 38.898 CG2 :: 17.334 CD1 :: 11.708 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 :: 8.355 HA :: 5.323 HB :: 1.714 HG12 :: 1.036 HG13 :: 1.036 HG21 :: 0.772 HG22 :: 0.772 HG23 :: 0.772 HD11 :: 0.684 HD12 :: 0.684 HD13 :: 0.684 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 :: 113.027 Ave N Shift Values>> N :: 121.6(4.72) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.26 I 0.17 V 0.07 A 0.01 HN Overlap>> 1.S49 1.S49 C Shift Assignments>> CA :: 58.587 CB :: 30.459 CG1 :: 18.925 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 :: 8.824 HA :: 4.214 HB :: 1.882 HG11 :: 0.925 HG12 :: 0.925 HG13 :: 0.925 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 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 :: 119.782 Ave N Shift Values>> N :: 121.02(4.96) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.5 C 0.48 G 0.01 C Shift Assignments>> CA :: 62.337 CB :: 29.522 CG :: 25.772 CD :: 49.211 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 :: 4.224 HB2 :: 2.219 HB3 :: 1.784 HG2 :: 2.044 HG3 :: 2.044 HD2 :: 3.913 HD3 :: 3.581 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) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.45 K 0.19 D 0.12 C 0.1 Y 0.06 G 0.03 I 0.02 C Shift Assignments>> CA :: 42.648 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.840 HA2 :: 4.258 HA3 :: 3.477 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 S 0.24 C 0.21 C Shift Assignments>> CA :: 62.337 CB :: 67.025 CG2 :: 18.266 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 :: 7.713 HA :: 3.838 HB :: 3.826 HG1 :: 6.228 HG21 :: 1.056 HG22 :: 1.056 HG23 :: 1.056 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.752 Ave N Shift Values>> N :: 115.7(5.05) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 C 0.07 P 0.03 HN Overlap>> 1.V45 1.V45 C Shift Assignments>> CA :: 53.899 CB :: 62.337 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.830 HA :: 4.599 HB2 :: 3.314 HB3 :: 3.314 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.827 Ave N Shift Values>> N :: 116.3(3.95) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.26 C Shift Assignments>> CA :: 63.275 CB :: 30.460 CG :: 25.772 CD :: 49.211 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 :: 4.104 HB2 :: 2.205 HB3 :: 1.977 HG2 :: 1.860 HG3 :: 1.860 HD2 :: 4.035 HD3 :: 4.035 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) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Y 0.2 D 0.19 E 0.09 M 0.03 L 0.03 I 0.01 C Shift Assignments>> CA :: 53.899 CB :: 37.960 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 :: 7.791 HA :: 4.391 HB2 :: 2.558 HB3 :: 2.344 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 111.899 Ave N Shift Values>> N :: 120.73(4.2) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.36 C 0.01 C Shift Assignments>> CA :: 52.024 CB :: 16.396 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.630 HA :: 4.095 HB1 :: 1.438 HB2 :: 1.438 HB3 :: 1.438 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.791 Ave N Shift Values>> N :: 123.23(3.7) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 A 0.38 L 0.05 C Shift Assignments>> CA :: 54.835 CB :: 39.835 CG :: 23.897 CD1 :: 23.194 CD2 :: 21.084 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 :: 7.427 HA :: 3.868 HB2 :: 2.140 HB3 :: 1.054 HG :: 1.891 HD11 :: 0.706 HD12 :: 0.706 HD13 :: 0.706 HD21 :: 0.540 HD22 :: 0.540 HD23 :: 0.540 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 :: 111.900 Ave N Shift Values>> N :: 121.98(4.07) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.44 T 0.34 C 0.2 C Shift Assignments>> CA :: 63.274 CB :: 65.148 CG2 :: 20.146 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 :: 8.070 HA :: 3.639 HB :: 4.276 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 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 :: 104.646 Ave N Shift Values>> N :: 115.7(5.05) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.47 C 0.01 C Shift Assignments>> CA :: 52.961 CB :: 16.391 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.061 HA :: 4.122 HB1 :: 1.395 HB2 :: 1.395 HB3 :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.187 Ave N Shift Values>> N :: 123.23(3.7) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.44 C 0.01 C Shift Assignments>> CA :: 52.024 CB :: 15.459 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.423 HA :: 4.019 HB1 :: 1.283 HB2 :: 1.283 HB3 :: 1.283 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.659 Ave N Shift Values>> N :: 123.23(3.7) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> CA :: 64.212 CB :: 29.520 CG1 :: 22.020 CG2 :: 21.084 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.132 HA :: 3.458 HB :: 1.954 HG11 :: 0.871 HG12 :: 0.871 HG13 :: 0.871 HG21 :: 0.832 HG22 :: 0.832 HG23 :: 0.832 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 :: 110.533 Ave N Shift Values>> N :: 121.02(4.96) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.44 C 0.01 C Shift Assignments>> CA :: 52.024 CB :: 15.457 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.212 HA :: 4.911 HB1 :: 1.457 HB2 :: 1.457 HB3 :: 1.457 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.373 Ave N Shift Values>> N :: 123.23(3.7) 1.G59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.018 HA2 :: 3.912 HA3 :: 3.912 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.699 Ave N Shift Values>> N :: 109.91(4.29) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 C 0.26 L 0.1 C Shift Assignments>> CA :: 52.024 CB :: 40.767 CG :: 24.833 CD2 :: 21.084 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 :: 7.305 HA :: 4.170 HB2 :: 1.656 HB3 :: 1.395 HG :: 1.647 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 HD21 :: 0.678 HD22 :: 0.678 HD23 :: 0.678 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 :: 113.939 Ave N Shift Values>> N :: 121.98(4.07) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 K 0.19 D 0.12 C 0.1 Y 0.06 G 0.03 I 0.02 C Shift Assignments>> CA :: 42.648 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.760 HA2 :: 3.878 HA3 :: 3.457 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 99.880 Ave N Shift Values>> N :: 109.91(4.29) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 Y 0.1 D 0.09 E 0.08 M 0.08 K 0.01 C Shift Assignments>> CA :: 52.018 CB :: 37.022 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.742 HA :: 4.998 HB2 :: 3.328 HB3 :: 2.287 HD1 :: 6.596 HD2 :: 6.596 HE1 :: 6.746 HE2 :: 6.746 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 :: 114.846 Ave N Shift Values>> N :: 120.79(4.69) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 Q 0.24 K 0.17 P 0.06 M 0.02 E 0.01 C Shift Assignments>> CA :: 52.961 CB :: 33.272 CD :: 26.709 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 :: 8.029 HA :: 4.667 HB2 :: 1.629 HB3 :: 1.629 HG2 :: 1.268 HG3 :: 1.268 HD2 :: 1.548 HD3 :: 1.548 HE2 :: 2.806 HE3 :: 2.806 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 :: 114.387 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.89 A 0.05 L 0.03 C 0.01 C Shift Assignments>> CA :: 47.336 CB :: 21.083 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.886 HA :: 5.665(S) HB1 :: 1.170 HB2 :: 1.170 HB3 :: 1.170 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.093 Ave N Shift Values>> N :: 123.23(3.7) 1.T65 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 A 0.38 C Shift Assignments>> CA :: 57.646 CB :: 3.980(A) CG2 :: 20.141 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 :: 8.620 HA :: 4.457 HB :: 3.981 HG1 :: 8.044 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.720 Ave N Shift Values>> N :: 115.7(5.05) SRO Rule Breaks>> (CB > CG2 : 1.0000) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 C 0.21 L 0.15 Y 0.14 K 0.03 C Shift Assignments>> CA :: 53.898 CB :: 39.834 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.657 HA :: 4.381 HB2 :: 1.657 HB3 :: 1.444 HG :: 1.636 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: 0.762 HD22 :: 0.762 HD23 :: 0.762 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 :: 121.645 Ave N Shift Values>> N :: 121.98(4.07) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.05 G 0.03 C 0.02 C Shift Assignments>> CA :: 49.208 CB :: 19.204 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.433 HA :: 4.451 HB1 :: 1.199 HB2 :: 1.199 HB3 :: 1.199 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.227 Ave N Shift Values>> N :: 123.23(3.7) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.52 C 0.24 L 0.12 Y 0.08 K 0.01 C Shift Assignments>> CA :: 52.024 CB :: 39.833 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 :: 8.233 HA :: 4.531 HB2 :: 2.614 HB3 :: 2.453 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.525 Ave N Shift Values>> N :: 120.73(4.2) 1.A69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.772 HA :: 3.511 HB1 :: 1.184 HB2 :: 1.184 HB3 :: 1.184 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.365 Ave N Shift Values>> N :: 123.23(3.7) 2.HG1 Overall Status: Residue type HG not supported. ########################################################################### Overall Results: #Consistent: 64 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 62 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 68 #Suspicious: 1 C Shift Results: #Consistent: 174 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 447 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 N Shift Results: #Consistent: 59 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K5 Typing: Mistyped 1.K5 CG = 17.543(S), Expected = 24.91, Std = 1.3100, ChiSquare = 1.8695e-08 1.T7 HG1 = 8.948(A), Expected = 4.40, Std = 1.9200, ChiSquare = 1.7848e-02 1.K37 N = 106.687(S), Expected = 121.16, Std = 4.1100, ChiSquare = 4.2926e-04 1.A64 HA = 5.665(S), Expected = 4.26, Std = 0.4200, ChiSquare = 8.2212e-04 1.T65 Typing: Mistyped 1.T65 CB = 3.980(A), Expected = 69.64, Std = 1.7000, ChiSquare = 0.0000e+00 1.T65 SRO Rule Break>> CB > CG2 : 1