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.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 57.293 CB :: 63.545 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.121 HB2 :: 3.989 HB3 :: 3.982 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.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.67 C 0.27 G 0.03 A 0.01 C Shift Assignments>> C :: 177.383 CA :: 55.575 CB :: 42.584 CD1 :: 23.732 CD2 :: 23.754 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>> HA :: 4.432 HB2 :: 1.659 HB3 :: 1.659 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.910 HD22 :: 0.910 HD23 :: 0.910 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) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.12 G 0.06 C Shift Assignments>> C :: 176.410 CA :: 56.269 CB :: 30.842 CG :: 27.183 CD :: 43.308 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 :: 8.410 HA :: 4.384 HB2 :: 1.892 HB3 :: 1.795 HG2 :: 1.673 HG3 :: 1.673 HD2 :: 3.233 HD3 :: 3.233 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.080 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 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 :: 175.039 CA :: 58.605 CB :: 64.044 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.292 HA :: 4.423 HB2 :: 3.914 HB3 :: 3.868 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.023 Ave N Shift Values>> N :: 116.3(3.95) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 173.654 CA :: 45.273 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.446 HA2 :: 3.979 HA3 :: 3.979 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.718 Ave N Shift Values>> N :: 109.91(4.29) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.18 C 0.15 Y 0.04 F 0.03 L 0.02 C Shift Assignments>> C :: 173.672 CA :: 51.357 CB :: 38.927 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 :: 8.273 HA :: 5.024 HB2 :: 2.845 HB3 :: 2.690 HD21 :: 7.603 HD22 :: 6.979 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 :: 119.287 ND2 :: 112.992 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.899 CA :: 63.429 CB :: 32.216 CG :: 27.288 CD :: 50.673 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 :: 4.447 HB2 :: 2.235 HB3 :: 1.902 HG2 :: 1.903 HG3 :: 1.903 HD2 :: 3.798 HD3 :: 3.701 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.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.714 CA :: 58.488 CB :: 64.048 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.336 HA :: 4.415 HB2 :: 3.911 HB3 :: 3.866 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.642 Ave N Shift Values>> N :: 116.3(3.95) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.26 C 0.02 C Shift Assignments>> C :: 177.233 CA :: 53.230 CB :: 19.187 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.137 HA :: 4.262 HB1 :: 1.354 HB2 :: 1.354 HB3 :: 1.354 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.808 Ave N Shift Values>> N :: 123.23(3.7) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.02 L 0.01 C Shift Assignments>> C :: 177.469 CA :: 52.475 CB :: 19.485 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.851 HA :: 4.261 HB1 :: 1.337 HB2 :: 1.337 HB3 :: 1.337 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.449 Ave N Shift Values>> N :: 123.23(3.7) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.593 CA :: 58.099 CB :: 63.320 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.990 HA :: 4.312 HB2 :: 3.691 HB3 :: 3.690 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 :: 114.186 Ave N Shift Values>> N :: 116.3(3.95) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 174.220 CA :: 56.717 CB :: 41.151 CD1 :: 132.916 CD2 :: 132.916 CE1 :: 131.326 CE2 :: 131.326 CZ :: 128.966 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.147 HA :: 4.780 HB2 :: 3.189 HB3 :: 2.996 HD1 :: 7.266 HD2 :: 7.266 HE1 :: 7.136 HE2 :: 7.136 HZ :: 6.948 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.092 Ave N Shift Values>> N :: 120.69(4.18) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D27 1.D27 C Shift Assignments>> C :: 172.626 CA :: 57.390 CB :: 64.518 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.616 HA :: 5.162 HB2 :: 3.462 HB3 :: 3.462 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 :: 116.456 Ave N Shift Values>> N :: 116.3(3.95) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 C 0.38 G 0.14 HN Overlap>> 1.K88 1.D72 1.K88 1.D72 C Shift Assignments>> C :: 172.543 CA :: 55.946 CB :: 43.227 CD1 :: 133.360 CD2 :: 133.360 CE1 :: 117.640 CE2 :: 117.640 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 :: 8.558 HA :: 5.206 HB2 :: 3.216 HB3 :: 2.205 HD1 :: 6.942 HD2 :: 6.942 HE1 :: 6.647 HE2 :: 6.647 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 :: 122.384 Ave N Shift Values>> N :: 120.79(4.69) 1.P16 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 :: 176.475 CA :: 61.981 CB :: 32.662 CG :: 27.531 CD :: 50.474 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 :: 5.109 HB2 :: 2.157 HB3 :: 2.157 HG2 :: 2.459 HG3 :: 2.258 HD2 :: 4.531 HD3 :: 3.919 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.D17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.26 L 0.24 C 0.13 R 0.1 N 0.07 K 0.06 G 0.06 F 0.03 Y 0.02 C Shift Assignments>> C :: 180.740 CA :: 51.717 CB :: 42.561 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 :: 8.643 HA :: 5.739(S) HB2 :: 3.672 HB3 :: 2.733 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 :: 119.834 Ave N Shift Values>> N :: 120.73(4.2) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 175.742 CA :: 61.894 CB :: 39.240 CG1 :: 29.041 CG2 :: 17.413 CD1 :: 14.926 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 :: 8.450 HA :: 4.451 HB :: 1.773 HG12 :: 1.353 HG13 :: 1.276 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 HD11 :: 0.480 HD12 :: 0.480 HD13 :: 0.480 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 :: 118.340 Ave N Shift Values>> N :: 121.6(4.72) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.28 C 0.13 L 0.08 Y 0.07 F 0.07 K 0.01 C Shift Assignments>> C :: 175.892 CA :: 53.307 CB :: 39.825 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 :: 8.376 HA :: 5.015 HB2 :: 3.051 HB3 :: 2.948 HD21 :: 8.144 HD22 :: 7.019 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 :: 119.377 ND2 :: 115.884 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.285 CA :: 45.793 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.539 HA2 :: 3.827 HA3 :: 4.333 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.535 Ave N Shift Values>> N :: 109.91(4.29) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.34 R 0.11 M 0.06 Q 0.05 HN Overlap>> 1.C71 1.C71 C Shift Assignments>> C :: 176.537 CA :: 55.444 CB :: 32.754 CG :: 24.890 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 :: 8.608 HA :: 4.443 HB2 :: 1.981 HB3 :: 1.868 HG2 :: 1.478 HG3 :: 1.315 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.675 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.431 CA :: 64.292 CB :: 69.069 CG2 :: 22.413 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 :: 8.595 HA :: 4.087 HB :: 3.937 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.666 Ave N Shift Values>> N :: 115.7(5.05) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.25 C Shift Assignments>> C :: 174.244 CA :: 62.456 CB :: 33.791 CG1 :: 20.568 CG2 :: 21.432 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 :: 8.937 HA :: 4.192 HB :: 2.229 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 1.026 HG22 :: 1.026 HG23 :: 1.026 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 :: 131.207 Ave N Shift Values>> N :: 121.02(4.96) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 176.169 CA :: 55.135 CB :: 65.646 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.554 HA :: 5.407 HB2 :: 3.825 HB3 :: 3.769 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.787 Ave N Shift Values>> N :: 116.3(3.95) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.47 K 0.03 C Shift Assignments>> C :: 179.364 CA :: 58.217 CB :: 40.538 CD1 :: 24.834 CD2 :: 24.937 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 :: 7.811 HA :: 3.687 HB2 :: 1.195 HB3 :: 1.528 HD11 :: 0.937 HD12 :: 0.937 HD13 :: 0.937 HD21 :: 0.888 HD22 :: 0.888 HD23 :: 0.888 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 :: 124.332 Ave N Shift Values>> N :: 121.98(4.07) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.45 C 0.02 I 0.02 HN Overlap>> 1.K53 1.K53 C Shift Assignments>> C :: 179.719 CA :: 54.663 CB :: 18.323 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.099 HA :: 3.993 HB1 :: 1.366 HB2 :: 1.366 HB3 :: 1.366 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.799 Ave N Shift Values>> N :: 123.23(3.7) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 F 0.16 L 0.15 Y 0.14 C 0.13 K 0.13 N 0.04 R 0.02 I 0.02 HN Overlap>> 1.S14 1.S14 C Shift Assignments>> C :: 176.915 CA :: 56.251 CB :: 40.788 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 :: 7.572 HA :: 4.473 HB2 :: 2.984 HB3 :: 2.836 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.553 Ave N Shift Values>> N :: 120.73(4.2) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 C 0.25 L 0.18 R 0.02 C Shift Assignments>> C :: 175.542 CA :: 53.706 CB :: 41.049 CG :: 26.146 CD1 :: 26.579 CD2 :: 20.460 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 :: 7.363 HA :: 4.233 HB2 :: 1.746 HB3 :: 1.516 HG :: 1.520 HD11 :: 0.658 HD12 :: 0.658 HD13 :: 0.658 HD21 :: 0.065 HD22 :: 0.065 HD23 :: 0.065 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 :: 118.950 Ave N Shift Values>> N :: 121.98(4.07) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.38 R 0.2 M 0.02 C Shift Assignments>> C :: 178.063 CA :: 57.777 CB :: 33.440 CG :: 25.194 CD :: 29.500 CE :: 41.962 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 :: 6.780 HA :: 4.352 HB2 :: 1.862 HB3 :: 1.862 HG2 :: 1.628 HG3 :: 1.433 HD2 :: 1.763 HD3 :: 1.764 HE2 :: 3.015 HE3 :: 3.015 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 :: 118.429 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.801 CA :: 44.611 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.398 HA2 :: 3.663 HA3 :: 4.647 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.426 Ave N Shift Values>> N :: 109.91(4.29) 1.K31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 K 0.24 G 0.01 C Shift Assignments>> C :: 173.862 CA :: 55.188 CB :: 36.968 CD :: 29.038 CE :: 41.864 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 :: 7.496 HA :: 4.152 HB2 :: 1.287 HB3 :: 1.196 HD2 :: 1.072 HD3 :: 0.735(S) HE2 :: 2.869 HE3 :: 2.869 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 :: 119.295 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 175.226 CA :: 60.590 CB :: 39.121 CD1 :: 133.029 CD2 :: 133.029 CE1 :: 118.237 CE2 :: 118.237 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 :: 7.521 HA :: 4.157 HB2 :: 2.856 HB3 :: 2.581 HD1 :: 7.384 HD2 :: 7.384 HE1 :: 6.834 HE2 :: 6.834 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 :: 116.984 Ave N Shift Values>> N :: 120.79(4.69) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.37 G 0.01 C Shift Assignments>> C :: 174.308 CA :: 60.702 CB :: 41.616 CG2 :: 19.144 CD1 :: 16.334 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 :: 8.467 HA :: 4.907 HB :: 1.802 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 HD11 :: 0.948 HD12 :: 0.948 HD13 :: 0.948 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 :: 118.052 Ave N Shift Values>> N :: 121.6(4.72) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 174.245 CA :: 56.158 CB :: 40.133 CD1 :: 133.046 CD2 :: 133.046 CE1 :: 117.616 CE2 :: 117.616 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 :: 8.905 HA :: 5.526 HB2 :: 2.867 HB3 :: 2.320 HD1 :: 7.394 HD2 :: 7.394 HE1 :: 6.647 HE2 :: 6.647 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 :: 130.242 Ave N Shift Values>> N :: 120.79(4.69) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 174.520 CA :: 59.749 CB :: 40.899 CG1 :: 29.098 CG2 :: 17.652 CD1 :: 14.118 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 :: 9.445 HA :: 5.342 HB :: 1.666 HG12 :: 0.660 HG13 :: 1.661 HG21 :: 0.589 HG22 :: 0.589 HG23 :: 0.589 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 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 :: 128.697 Ave N Shift Values>> N :: 121.6(4.72) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.15 C 0.14 K 0.06 R 0.04 F 0.03 Y 0.02 G 0.01 HN Overlap>> 1.I113 1.I113 C Shift Assignments>> C :: 174.385 CA :: 51.294 CB :: 41.778 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 :: 8.875 HA :: 4.848 HB2 :: 3.011 HB3 :: 2.465 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.675 Ave N Shift Values>> N :: 120.73(4.2) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 175.046 CA :: 62.245 CB :: 31.807 CG1 :: 21.939 CG2 :: 21.820 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 :: 8.603 HA :: 4.959 HB :: 1.973 HG11 :: 0.875 HG12 :: 0.875 HG13 :: 0.875 HG21 :: 0.794 HG22 :: 0.794 HG23 :: 0.794 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 :: 127.159 Ave N Shift Values>> N :: 121.02(4.96) 1.W38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 W 0.49 C Shift Assignments>> C :: 171.995 CA :: 55.207 CB :: 33.187 CD1 :: 125.682 CE3 :: 121.615 CZ2 :: 113.895 CZ3 :: 122.052 CH2 :: 124.054 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 :: 8.562 HA :: 5.237 HB2 :: 3.191 HB3 :: 3.104 HD1 :: 7.067 HE1 :: 10.741 HE3 :: 7.007 HZ2 :: 7.105 HZ3 :: 7.060 HH2 :: 6.844 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 :: 124.161 NE1 :: 130.972 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.38 L 0.3 C 0.14 M 0.13 K 0.02 C Shift Assignments>> C :: 178.664 CA :: 51.466 CB :: 22.341 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.757 HA :: 3.678 HB1 :: 0.327(S) HB2 :: 0.327(S) HB3 :: 0.327(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.252 Ave N Shift Values>> N :: 123.23(3.7) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.885 CA :: 65.447 CB :: 70.106 CG2 :: 22.838 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 :: 9.639 HA :: 3.907 HB :: 4.132 HG21 :: 1.537 HG22 :: 1.537 HG23 :: 1.537 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.321 Ave N Shift Values>> N :: 115.7(5.05) 1.W41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 W 0.4 H 0.13 C Shift Assignments>> C :: 176.189 CA :: 54.698 CB :: 29.977 CD1 :: 128.363 CE3 :: 121.651 CZ2 :: 114.962 CZ3 :: 121.802 CH2 :: 125.499 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 :: 6.401 HA :: 4.563 HB2 :: 3.764 HB3 :: 3.126 HD1 :: 7.257 HE1 :: 10.473 HE3 :: 7.457 HZ2 :: 7.378 HZ3 :: 7.267 HH2 :: 7.256 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 :: 114.483 NE1 :: 131.877 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 I 0.14 C 0.14 Q 0.09 L 0.09 W 0.09 K 0.08 H 0.06 E 0.06 C Shift Assignments>> C :: 175.726 CA :: 58.700 CB :: 27.121 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.883 HA :: 4.568 HB2 :: 2.394 HB3 :: 1.503 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 :: 123.536 Ave N Shift Values>> N :: 119.95(4.79) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.67 A 0.12 N 0.06 C 0.05 D 0.02 G 0.01 C Shift Assignments>> CA :: 49.204 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.653 HA2 :: 4.398 HA3 :: 3.915 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 120.977 Ave N Shift Values>> N :: 109.91(4.29) 1.P44 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.57 C 0.41 C Shift Assignments>> C :: 179.956 CA :: 65.642 CB :: 32.578 CG :: 28.066 CD :: 51.664 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 :: 4.487 HB2 :: 2.577 HB3 :: 1.900 HG2 :: 2.314 HG3 :: 2.120 HD2 :: 4.672(A) HD3 :: 3.792 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.C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 P 0.3 C 0.09 V 0.05 W 0.04 R 0.01 E 0.01 C Shift Assignments>> C :: 178.325 CA :: 63.392 CB :: 28.505 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.676 HA :: 4.313 HB2 :: 3.365 HB3 :: 3.827 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 :: 113.925 Ave N Shift Values>> N :: 119.95(4.79) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 G 0.09 K 0.08 C Shift Assignments>> C :: 180.446 CA :: 59.785 CB :: 29.868 CG :: 28.286 CD :: 43.320 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 :: 8.109 HA :: 4.069 HB2 :: 2.042 HB3 :: 2.222 HG2 :: 2.053 HG3 :: 1.503 HD2 :: 3.642 HD3 :: 3.425 HE :: 7.023 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.336 NE :: 84.960 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 175.258 CA :: 46.594 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.466 HA2 :: 4.057 HA3 :: 4.057 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.408 Ave N Shift Values>> N :: 109.91(4.29) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 M 0.18 Q 0.06 K 0.05 I 0.01 C Shift Assignments>> C :: 176.535 CA :: 55.792 CB :: 30.982 CG :: 35.979 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 :: 7.050 HA :: 4.525 HB2 :: 2.516 HB3 :: 2.012 HG2 :: 2.610 HG3 :: 2.400 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 :: 116.343 Ave N Shift Values>> N :: 120.68(3.68) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 L 0.13 C Shift Assignments>> C :: 176.832 CA :: 59.345 CB :: 38.496 CG :: 26.209 CD1 :: 25.892 CD2 :: 22.194 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 :: 7.385 HA :: 4.152 HB2 :: 2.083 HB3 :: 1.434 HG :: 1.913 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 0.366 HD22 :: 0.366 HD23 :: 0.366 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 :: 118.652 Ave N Shift Values>> N :: 121.98(4.07) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 179.744 CA :: 66.559 CB :: 30.762 CG :: 28.590 CD :: 50.402 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 :: 4.253 HB2 :: 2.356 HB3 :: 1.939 HG2 :: 2.178 HG3 :: 1.947 HD2 :: 3.819 HD3 :: 3.685 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.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.44 C 0.02 I 0.01 C Shift Assignments>> C :: 180.329 CA :: 54.434 CB :: 18.370 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.731 HA :: 4.145 HB1 :: 1.295 HB2 :: 1.295 HB3 :: 1.295 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.418 Ave N Shift Values>> N :: 123.23(3.7) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.33 R 0.13 G 0.02 C Shift Assignments>> C :: 177.944 CA :: 58.327 CB :: 42.382 CG :: 26.885 CD1 :: 26.286 CD2 :: 23.674 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 :: 8.355 HA :: 3.988 HB2 :: 1.987 HB3 :: 1.465 HG :: 1.573 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 1.185 HD22 :: 1.185 HD23 :: 1.185 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 :: 121.506 Ave N Shift Values>> N :: 121.98(4.07) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.29 R 0.16 V 0.05 P 0.04 Q 0.02 M 0.02 HN Overlap>> 1.A26 1.A26 C Shift Assignments>> C :: 179.030 CA :: 59.846 CB :: 32.211 CG :: 25.446 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 :: 8.148 HA :: 3.903 HB2 :: 1.923 HB3 :: 1.923 HG2 :: 1.648 HG3 :: 1.449 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 :: 119.732 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.22 K 0.06 M 0.02 Q 0.02 C Shift Assignments>> C :: 179.646 CA :: 59.625 CB :: 29.567 CG :: 36.383 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 :: 7.585 HA :: 4.059 HB2 :: 2.102 HB3 :: 2.106 HG2 :: 2.223 HG3 :: 2.423 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 :: 117.779 Ave N Shift Values>> N :: 120.68(3.68) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.31 R 0.08 G 0.06 C Shift Assignments>> C :: 178.557 CA :: 58.235 CB :: 43.011 CG :: 26.442 CD1 :: 25.616 CD2 :: 24.139 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 :: 8.096 HA :: 4.193 HB2 :: 1.642 HB3 :: 1.973 HG :: 1.990 HD11 :: 0.964 HD12 :: 0.964 HD13 :: 0.964 HD21 :: 0.967 HD22 :: 0.967 HD23 :: 0.967 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.581 Ave N Shift Values>> N :: 121.98(4.07) 1.E56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 Q 0.2 K 0.18 R 0.16 E 0.03 I 0.02 P 0.01 M 0.01 C Shift Assignments>> C :: 179.650 CA :: 58.871 CB :: 26.985 CG :: 33.321 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 :: 8.181 HA :: 3.177 HB2 :: 1.866 HB3 :: 1.652 HG2 :: 1.872 HG3 :: 1.576(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.023 Ave N Shift Values>> N :: 120.68(3.68) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.18 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 179.700 CA :: 59.027 CB :: 29.665 CG :: 36.528 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 :: 7.762 HA :: 4.104 HB2 :: 2.129 HB3 :: 2.127 HG2 :: 2.459 HG3 :: 2.228 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 :: 117.828 Ave N Shift Values>> N :: 120.68(3.68) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.16 M 0.01 C Shift Assignments>> C :: 178.715 CA :: 59.078 CB :: 32.980 CG :: 25.196 CD :: 29.252 CE :: 41.860 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 :: 8.410 HA :: 3.979 HB2 :: 1.920 HB3 :: 1.712 HG2 :: 1.334 HG3 :: 0.955 HD2 :: 1.607 HD3 :: 1.606 HE2 :: 2.922 HE3 :: 2.894 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.896 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y59 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 :: 175.025 CA :: 58.973 CB :: 37.434 CD1 :: 133.079 CD2 :: 133.079 CE1 :: 117.780 CE2 :: 117.780 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 :: 8.102 HA :: 4.312 HB2 :: 3.372 HB3 :: 2.915 HD1 :: 7.379 HD2 :: 7.379 HE1 :: 6.810 HE2 :: 6.810 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 :: 113.713 Ave N Shift Values>> N :: 120.79(4.69) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.44 C 0.03 I 0.01 C Shift Assignments>> C :: 179.208 CA :: 54.534 CB :: 18.589 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.201 HA :: 4.418 HB1 :: 1.595 HB2 :: 1.595 HB3 :: 1.595 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.637 Ave N Shift Values>> N :: 123.23(3.7) 1.G61 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 :: 174.698 CA :: 45.904 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.184 HA2 :: 3.926 HA3 :: 4.275 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.816 Ave N Shift Values>> N :: 109.91(4.29) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.33 R 0.17 M 0.01 C Shift Assignments>> C :: 179.019 CA :: 53.988 CB :: 33.840 CG :: 25.568 CD :: 28.891 CE :: 41.946 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.019 HA :: 4.879 HB2 :: 2.237 HB3 :: 2.166 HG3 :: 1.499 HD2 :: 1.710 HD3 :: 1.767 HE2 :: 3.051 HE3 :: 3.051 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 :: 118.497 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.2 Y 0.16 D 0.14 F 0.13 E 0.04 L 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 174.065 CA :: 55.055 CB :: 38.582 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 :: 8.709 HA :: 4.527 HB2 :: 3.154 HB3 :: 2.756 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.982 Ave N Shift Values>> N :: 120.73(4.2) 1.I64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 I 0.47 G 0.02 C Shift Assignments>> C :: 174.627 CA :: 59.712 CB :: 42.133 CG1 :: 27.500 CG2 :: 15.648 CD1 :: 12.962 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.678 HA :: 4.607 HB :: 1.148 HG12 :: 0.856 HG13 :: 0.066 HG21 :: -0.006 HG22 :: -0.006 HG23 :: -0.006 HD11 :: -0.557(S) HD12 :: -0.557(S) HD13 :: -0.557(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 :: 122.219 Ave N Shift Values>> N :: 121.6(4.72) 1.H65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 W 0.22 H 0.21 C Shift Assignments>> C :: 174.153 CA :: 54.959 CB :: 34.156 CD2 :: 120.576 CE1 :: 139.084 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.204 HA :: 5.043 HB2 :: 3.014 HB3 :: 2.748 HD2 :: 7.006 HE1 :: 7.846 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 :: 125.584 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 C Shift Assignments>> C :: 175.463 CA :: 58.088 CB :: 39.637 CD1 :: 132.922 CD2 :: 132.922 CE1 :: 130.889 CE2 :: 130.889 CZ :: 128.748 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 :: 9.262 HA :: 5.210 HB2 :: 3.346 HB3 :: 3.070 HD1 :: 7.531 HD2 :: 7.531 HE1 :: 7.122 HE2 :: 7.122 HZ :: 6.707 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.244 Ave N Shift Values>> N :: 120.69(4.18) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.48 C Shift Assignments>> C :: 174.364 CA :: 60.724 CB :: 34.893 CG1 :: 22.705 CG2 :: 21.221 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 :: 8.843 HA :: 4.834 HB :: 1.775 HG11 :: 0.851 HG12 :: 0.851 HG13 :: 0.851 HG21 :: 0.679 HG22 :: 0.679 HG23 :: 0.679 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 :: 126.201 Ave N Shift Values>> N :: 121.02(4.96) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.858 CA :: 57.282 CB :: 65.032 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.243 HA :: 5.585 HB2 :: 3.896 HB3 :: 3.896 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.528 Ave N Shift Values>> N :: 116.3(3.95) 1.L69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.51 G 0.27 C 0.17 R 0.02 C Shift Assignments>> C :: 174.652 CA :: 52.827 CB :: 43.895 CG :: 26.192 CD1 :: 25.527 CD2 :: 25.956 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 :: 9.360 HA :: 4.517 HB2 :: 1.343 HB3 :: 0.966 HG :: 0.959 HD11 :: -0.246(S) HD12 :: -0.246(S) HD13 :: -0.246(S) HD21 :: 0.134 HD22 :: 0.134 HD23 :: 0.134 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.695 Ave N Shift Values>> N :: 121.98(4.07) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.307 CA :: 55.213 CB :: 63.519 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.981 HA :: 4.905 HB2 :: 3.502 HB3 :: 2.894 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 :: 116.379 Ave N Shift Values>> N :: 116.3(3.95) 1.C71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.14 R 0.14 H 0.12 C 0.11 L 0.11 W 0.08 E 0.07 M 0.01 I 0.01 HN Overlap>> 1.K21 1.K21 C Shift Assignments>> C :: 173.996 CA :: 55.483 CB :: 28.112 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.609 HA :: 4.958 HB2 :: 3.150 HB3 :: 2.455 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 :: 124.670 Ave N Shift Values>> N :: 119.95(4.79) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.17 F 0.14 C 0.12 Y 0.11 D 0.11 R 0.08 I 0.01 N 0.01 HN Overlap>> 1.Y15 1.K88 1.Y15 1.K88 C Shift Assignments>> C :: 176.653 CA :: 56.782 CB :: 41.526 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 :: 8.557 HA :: 4.292 HB2 :: 2.555 HB3 :: 2.232 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.398 Ave N Shift Values>> N :: 120.73(4.2) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.37 K 0.36 R 0.12 Q 0.04 M 0.03 V 0.03 C Shift Assignments>> C :: 176.545 CA :: 58.458 CB :: 32.641 CG :: 25.087 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.065 HB2 :: 1.865 HB3 :: 1.865 HG2 :: 1.471 HG3 :: 1.471 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) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.18 D 0.1 Y 0.04 F 0.03 L 0.01 E 0.01 HN Overlap>> 1.N139 1.N139 C Shift Assignments>> C :: 174.894 CA :: 51.521 CB :: 38.109 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 :: 8.625 HA :: 4.905 HB2 :: 3.379 HB3 :: 2.724 HD21 :: 7.750 HD22 :: 7.009 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 :: 117.616 ND2 :: 111.970 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.31 R 0.27 G 0.02 C Shift Assignments>> C :: 178.058 CA :: 60.173 CB :: 33.291 CG :: 25.904 CD :: 29.710 CE :: 42.411 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 :: 8.588 HA :: 3.423 HB2 :: 1.840 HB3 :: 1.737 HG2 :: 1.516 HG3 :: 0.587 HD2 :: 1.681 HD3 :: 1.681 HE2 :: 2.887 HE3 :: 3.101 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 :: 126.797 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 W 0.14 R 0.12 E 0.11 K 0.1 M 0.09 H 0.09 V 0.06 Q 0.05 I 0.02 C Shift Assignments>> C :: 178.791 CA :: 58.608 CB :: 31.490 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 :: 8.041 HA :: 4.200 HB2 :: 1.953 HB3 :: 1.933 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.875 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 181.191 CA :: 54.957 CB :: 17.759 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.366 HA :: 4.123 HB1 :: 1.556 HB2 :: 1.556 HB3 :: 1.556 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.567 Ave N Shift Values>> N :: 123.23(3.7) 1.W78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.69 C 0.3 C Shift Assignments>> C :: 175.942 CA :: 61.761 CB :: 27.272 CD1 :: 126.867 CE3 :: 121.545 CZ2 :: 113.910 CZ3 :: 121.880 CH2 :: 124.246 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 :: 7.187 HA :: 4.077 HB2 :: 3.470 HB3 :: 2.924 HD1 :: 6.887 HE1 :: 11.176 HE3 :: 7.431 HZ2 :: 7.578 HZ3 :: 7.056 HH2 :: 6.941 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 :: 119.497 NE1 :: 132.392 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.21 M 0.03 K 0.02 C Shift Assignments>> C :: 179.863 CA :: 59.110 CB :: 30.220 CG :: 37.093 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.813 HA :: 3.014 HB2 :: 2.169 HB3 :: 1.939 HG2 :: 2.655 HG3 :: 2.191 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.771 Ave N Shift Values>> N :: 120.68(3.68) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.22 F 0.17 N 0.12 D 0.09 E 0.06 I 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 176.749 CA :: 56.035 CB :: 38.489 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 :: 8.491 HA :: 4.339 HB2 :: 2.914 HB3 :: 2.763 HD21 :: 6.894 HD22 :: 7.625 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 :: 115.964 ND2 :: 111.546 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.39 I 0.01 C Shift Assignments>> C :: 177.933 CA :: 60.276 CB :: 32.518 CG :: 32.936 CE :: 17.853 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 :: 7.667 HA :: 4.149 HB2 :: 2.291 HB3 :: 2.138 HG2 :: 2.934 HG3 :: 2.545 HE1 :: 2.253 HE2 :: 2.253 HE3 :: 2.253 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 :: 119.670 Ave N Shift Values>> N :: 120.1(3.88) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 179.005 CA :: 67.037 CB :: 31.765 CG1 :: 22.000 CG2 :: 21.998 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 :: 8.338 HA :: 3.303 HB :: 1.511 HG11 :: 0.699 HG12 :: 0.699 HG13 :: 0.699 HG21 :: 0.457 HG22 :: 0.457 HG23 :: 0.457 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 :: 117.634 Ave N Shift Values>> N :: 121.02(4.96) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.591 CA :: 65.431 CB :: 69.156 CG2 :: 21.324 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 :: 7.659 HA :: 3.983 HB :: 4.161 HG21 :: 1.231 HG22 :: 1.231 HG23 :: 1.231 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.519 Ave N Shift Values>> N :: 115.7(5.05) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.37 R 0.18 M 0.01 C Shift Assignments>> C :: 178.582 CA :: 59.877 CB :: 32.323 CG :: 25.023 CD :: 28.893 CE :: 41.974 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 :: 8.665 HA :: 4.069 HB2 :: 1.994 HB3 :: 1.845 HG2 :: 1.509 HG3 :: 1.509 HD2 :: 1.662 HD3 :: 1.662 HE2 :: 3.017 HE3 :: 3.017 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.927 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 N 0.2 C 0.15 Y 0.13 F 0.12 L 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 175.086 CA :: 54.693 CB :: 39.685 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 :: 8.179 HA :: 4.750 HB2 :: 2.700 HB3 :: 2.699 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.280 Ave N Shift Values>> N :: 120.73(4.2) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.25 Q 0.2 R 0.08 E 0.04 M 0.02 I 0.01 C Shift Assignments>> C :: 175.659 CA :: 56.171 CB :: 26.290 CG :: 34.186 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 :: 7.431 HA :: 3.908 HB2 :: 2.154 HB3 :: 2.037 HG2 :: 2.289 HG3 :: 2.289 HE21 :: 7.709 HE22 :: 6.862 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 :: 116.258 NE2 :: 112.897 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.38 R 0.09 A 0.01 K 0.01 C Shift Assignments>> C :: 178.225 CA :: 55.932 CB :: 41.202 CG :: 27.403 CD1 :: 23.211 CD2 :: 26.276 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 :: 7.736 HA :: 4.090 HB2 :: 1.595 HB3 :: 1.595 HG :: 1.686 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 HD21 :: 0.749 HD22 :: 0.749 HD23 :: 0.749 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 :: 117.031 Ave N Shift Values>> N :: 121.98(4.07) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.35 R 0.16 M 0.02 G 0.01 HN Overlap>> 1.Y15 1.Y15 1.D72 1.D72 C Shift Assignments>> C :: 177.538 CA :: 54.930 CB :: 33.316 CG :: 24.883 CD :: 28.624 CE :: 42.097 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 :: 8.496 HA :: 4.636 HB2 :: 2.011 HB3 :: 1.781 HG2 :: 1.642 HG3 :: 1.525 HD2 :: 1.669 HD3 :: 1.669 HE2 :: 3.033 HE3 :: 3.033 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.367 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G89 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 :: 173.781 CA :: 45.358 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.497 HA2 :: 4.104 HA3 :: 4.249 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.452 Ave N Shift Values>> N :: 109.91(4.29) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 175.606 CA :: 62.001 CB :: 38.036 CG1 :: 27.789 CG2 :: 17.512 CD1 :: 14.327 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 :: 8.728 HA :: 4.371 HB :: 2.143 HG12 :: 1.834 HG13 :: 1.229 HG21 :: 1.051 HG22 :: 1.051 HG23 :: 1.051 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 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 :: 123.295 Ave N Shift Values>> N :: 121.6(4.72) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 C 0.28 K 0.27 M 0.07 Q 0.04 C Shift Assignments>> C :: 174.618 CA :: 54.850 CB :: 28.341 CG :: 31.150 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 :: 8.762 HA :: 4.766 HB2 :: 2.436 HB3 :: 2.074 HG2 :: 2.198 HG3 :: 2.199 HE21 :: 7.482 HE22 :: 6.578 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 :: 128.632 NE2 :: 111.724 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.35 C 0.14 A 0.1 C Shift Assignments>> C :: 176.828 CA :: 52.801 CB :: 44.210 CD1 :: 22.780 CD2 :: 24.981 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 :: 9.011 HA :: 5.580 HB2 :: 1.726 HB3 :: 1.227 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.830 Ave N Shift Values>> N :: 121.98(4.07) 1.H93 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.45 H 0.28 W 0.25 C Shift Assignments>> C :: 173.590 CA :: 56.583 CB :: 32.250 CD2 :: 115.742 CE1 :: 137.073 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 :: 8.038 HA :: 3.931 HB2 :: 0.168(A) HB3 :: 2.074 HD2 :: 6.170 HE1 :: 7.716 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 :: 121.481 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.M94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 M 0.39 A 0.15 I 0.01 C Shift Assignments>> C :: 177.035 CA :: 55.189 CB :: 33.993 CG :: 30.257 CE :: 16.637 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 :: 8.039 HA :: 3.866 HB2 :: 1.500 HB3 :: 1.136 HG2 :: 1.447 HG3 :: 0.456(S) HE1 :: 1.594 HE2 :: 1.594 HE3 :: 1.594 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 :: 121.881 Ave N Shift Values>> N :: 120.1(3.88) 1.G95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 C 0.13 L 0.04 C Shift Assignments>> C :: 174.251 CA :: 46.580 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.666(S) HA2 :: 3.396 HA3 :: 3.730 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.041 Ave N Shift Values>> N :: 109.91(4.29) 1.T96 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 :: 175.122 CA :: 61.339 CB :: 68.615 CG2 :: 21.780 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 :: 8.517 HA :: 4.211 HB :: 4.586 HG21 :: 1.260 HG22 :: 1.260 HG23 :: 1.260 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.114 Ave N Shift Values>> N :: 115.7(5.05) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.26 C 0.11 K 0.1 D 0.08 F 0.05 Y 0.04 G 0.03 C Shift Assignments>> C :: 178.241 CA :: 55.800 CB :: 43.129 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 :: 7.563 HA :: 4.585 HB2 :: 3.015 HB3 :: 3.015 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.892 Ave N Shift Values>> N :: 120.73(4.2) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.34 K 0.19 L 0.01 G 0.01 C Shift Assignments>> C :: 176.724 CA :: 55.939 CB :: 30.291 CG :: 27.132 CD :: 42.366 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 :: 9.225 HA :: 4.392 HB2 :: 2.287 HB3 :: 1.804 HG2 :: 1.666 HG3 :: 1.666 HD2 :: 3.274 HD3 :: 3.274 HE :: 7.630 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 :: 127.508 NE :: 84.046 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.969 CA :: 67.714 CB :: 68.777 CG2 :: 21.759 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 :: 8.382 HA :: 3.987 HB :: 4.414 HG21 :: 1.456 HG22 :: 1.456 HG23 :: 1.456 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.384 Ave N Shift Values>> N :: 115.7(5.05) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.22 C Shift Assignments>> C :: 177.010 CA :: 61.923 CB :: 40.762 CD1 :: 131.206 CD2 :: 131.206 CE1 :: 131.097 CE2 :: 131.097 CZ :: 128.781 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.998 HA :: 4.173 HB2 :: 3.288 HB3 :: 2.958 HD1 :: 6.620 HD2 :: 6.620 HE1 :: 6.645 HE2 :: 6.645 HZ :: 6.387 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.232 Ave N Shift Values>> N :: 120.69(4.18) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.46 A 0.01 C Shift Assignments>> C :: 178.763 CA :: 58.552 CB :: 32.593 CG :: 32.940 CE :: 17.891 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 :: 7.828 HA :: 3.975 HB2 :: 2.148 HB3 :: 1.964 HG2 :: 2.725 HG3 :: 2.725 HE1 :: 1.990 HE2 :: 1.990 HE3 :: 1.990 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 :: 115.968 Ave N Shift Values>> N :: 120.1(3.88) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.22 C 0.17 D 0.12 L 0.09 I 0.05 K 0.04 N 0.04 C Shift Assignments>> C :: 179.503 CA :: 56.890 CB :: 39.926 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 :: 8.828 HA :: 4.522 HB2 :: 2.736 HB3 :: 2.639 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 :: 117.553 Ave N Shift Values>> N :: 120.73(4.2) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.39 C 0.03 I 0.03 C Shift Assignments>> C :: 178.782 CA :: 55.094 CB :: 18.563 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.567 HA :: 3.986 HB1 :: 1.296 HB2 :: 1.296 HB3 :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.984 Ave N Shift Values>> N :: 123.23(3.7) 1.Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.43 C Shift Assignments>> C :: 173.821 CA :: 58.498 CB :: 38.393 CD1 :: 132.687 CD2 :: 132.687 CE1 :: 117.812 CE2 :: 117.812 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 :: 7.203 HA :: 4.224 HB2 :: 3.045 HB3 :: 2.070 HD1 :: 6.471 HD2 :: 6.471 HE1 :: 6.378 HE2 :: 6.378 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 :: 112.159 Ave N Shift Values>> N :: 120.79(4.69) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 L 0.3 A 0.01 C Shift Assignments>> C :: 176.721 CA :: 55.785 CB :: 38.443 CD1 :: 25.459 CD2 :: 23.736 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 :: 7.582 HA :: 3.985 HB2 :: 1.974 HB3 :: 1.601 HD11 :: 0.912 HD12 :: 0.912 HD13 :: 0.912 HD21 :: 0.915 HD22 :: 0.915 HD23 :: 0.915 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 :: 119.433 Ave N Shift Values>> N :: 121.98(4.07) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.32 C Shift Assignments>> C :: 175.459 CA :: 62.043 CB :: 36.335 CG2 :: 18.378 CD1 :: 14.304 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 :: 8.774 HA :: 4.002 HB :: 2.090 HG21 :: 0.813 HG22 :: 0.813 HG23 :: 0.813 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.575 Ave N Shift Values>> N :: 121.6(4.72) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.2 C 0.15 Y 0.07 F 0.06 L 0.04 C Shift Assignments>> C :: 174.584 CA :: 53.112 CB :: 38.977 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 :: 8.364 HA :: 4.863 HB2 :: 2.855 HB3 :: 2.855 HD21 :: 7.575 HD22 :: 6.888 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 :: 126.514 ND2 :: 112.477 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 171.245 CA :: 45.269 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.678 HA2 :: 3.993 HA3 :: 4.123 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.469 Ave N Shift Values>> N :: 109.91(4.29) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 I 0.31 A 0.04 C Shift Assignments>> C :: 173.498 CA :: 58.384 CB :: 40.322 CG1 :: 24.732 CG2 :: 18.897 CD1 :: 15.651 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 :: 7.868 HA :: 4.406 HB :: 1.588 HG12 :: 1.515 HG13 :: 0.985 HG21 :: 0.615 HG22 :: 0.615 HG23 :: 0.615 HD11 :: 0.324 HD12 :: 0.324 HD13 :: 0.324 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 :: 112.817 Ave N Shift Values>> N :: 121.6(4.72) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.96 A 0.02 P 0.01 C Shift Assignments>> C :: 175.715 CA :: 62.277 CB :: 36.368 CG :: 24.432 CD :: 51.292 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 :: 4.742 HB2 :: 2.809 HB3 :: 1.962 HG2 :: 2.005 HG3 :: 2.005 HD2 :: 3.770 HD3 :: 3.547 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.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.42 R 0.11 C Shift Assignments>> C :: 171.541 CA :: 54.356 CB :: 33.430 CG :: 27.749 CD :: 41.338 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 :: 7.732 HA :: 4.469 HB2 :: 2.112 HB3 :: 1.549 HG2 :: 1.450 HG3 :: 1.675 HD2 :: 3.506 HD3 :: 3.842 HE :: 7.633 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.358 NE :: 84.041 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.44 C Shift Assignments>> C :: 175.097 CA :: 55.791 CB :: 40.928 CD1 :: 133.070 CD2 :: 133.070 CE1 :: 130.369 CE2 :: 130.369 CZ :: 129.415 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 :: 8.929 HA :: 5.773 HB2 :: 2.656 HB3 :: 2.559 HD1 :: 7.060 HD2 :: 7.060 HE1 :: 7.133 HE2 :: 7.133 HZ :: 7.082 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 :: 125.103 Ave N Shift Values>> N :: 120.69(4.18) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 G 0.42 I 0.12 HN Overlap>> 1.D36 1.D36 C Shift Assignments>> C :: 173.197 CA :: 60.286 CB :: 44.246 CG1 :: 28.281 CG2 :: 18.239 CD1 :: 14.929 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 :: 8.873 HA :: 4.543 HB :: 1.450 HG12 :: 1.364 HG13 :: 1.109 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 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 :: 123.778 Ave N Shift Values>> N :: 121.6(4.72) 1.L114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 G 0.29 A 0.08 L 0.07 HN Overlap>> 1.I122 1.I122 C Shift Assignments>> C :: 175.080 CA :: 53.401 CB :: 47.370 CD1 :: 26.990 CD2 :: 23.534 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 :: 8.974 HA :: 6.014(S) HB2 :: 2.165 HB3 :: 1.499 HD11 :: 1.018 HD12 :: 1.018 HD13 :: 1.018 HD21 :: 1.180 HD22 :: 1.180 HD23 :: 1.180 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 :: 127.146 Ave N Shift Values>> N :: 121.98(4.07) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.33 C 0.17 C Shift Assignments>> C :: 176.660 CA :: 53.077 CB :: 44.584 CD1 :: 26.419 CD2 :: 24.428 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 :: 9.874 HA :: 5.432 HB2 :: 2.013 HB3 :: 1.459 HD11 :: 1.002 HD12 :: 1.002 HD13 :: 1.002 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 128.323 Ave N Shift Values>> N :: 121.98(4.07) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.21 L 0.15 C 0.11 K 0.06 F 0.04 Y 0.04 R 0.01 C Shift Assignments>> C :: 176.898 CA :: 52.305 CB :: 41.028 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.357 HA :: 4.935 HB2 :: 2.852 HB3 :: 3.470 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 :: 119.834 Ave N Shift Values>> N :: 120.73(4.2) 1.R117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.4 C 0.38 K 0.11 G 0.1 C Shift Assignments>> C :: 177.105 CA :: 58.185 CB :: 30.437 CG :: 28.662 CD :: 43.602 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 :: 7.697 HA :: 3.717 HB2 :: 1.360 HB3 :: 1.360 HG2 :: 0.701 HG3 :: 0.414(S) HD2 :: 2.934 HD3 :: 2.934 HE :: 7.598 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 :: 113.356 NE :: 82.944 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.21 R 0.14 K 0.11 C 0.1 F 0.04 N 0.04 Y 0.03 G 0.02 C Shift Assignments>> C :: 176.657 CA :: 53.517 CB :: 42.556 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 :: 8.456 HA :: 4.895 HB2 :: 2.810 HB3 :: 2.627 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 :: 117.226 Ave N Shift Values>> N :: 120.73(4.2) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 173.355 CA :: 46.256 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.183 HA2 :: 3.486 HA3 :: 4.201 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.074 Ave N Shift Values>> N :: 109.91(4.29) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.38 R 0.14 C Shift Assignments>> C :: 177.229 CA :: 55.287 CB :: 32.581 CG :: 24.887 CE :: 41.964 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 :: 8.449 HA :: 4.533 HB2 :: 2.129 HB3 :: 1.754 HG2 :: 1.350 HG3 :: 1.484 HE2 :: 3.004 HE3 :: 3.004 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.744 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.819 CA :: 63.915 CB :: 39.390 CG1 :: 29.047 CG2 :: 18.204 CD1 :: 13.978 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 :: 8.715 HA :: 3.886 HB :: 1.889 HG12 :: 1.877 HG13 :: 1.087 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.221 Ave N Shift Values>> N :: 121.6(4.72) 1.I122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 HN Overlap>> 1.L114 1.L114 C Shift Assignments>> C :: 176.978 CA :: 63.719 CB :: 38.652 CG1 :: 28.058 CG2 :: 17.575 CD1 :: 13.714 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 :: 8.974 HA :: 4.341 HB :: 1.646 HG12 :: 1.291 HG13 :: 1.759 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 HD11 :: 1.088 HD12 :: 1.088 HD13 :: 1.088 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.165 Ave N Shift Values>> N :: 121.6(4.72) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.184 CA :: 57.383 CB :: 65.326 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.850 HA :: 4.738 HB2 :: 3.688 HB3 :: 3.971 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.227 Ave N Shift Values>> N :: 116.3(3.95) 1.A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.26 C 0.02 C Shift Assignments>> C :: 175.147 CA :: 53.035 CB :: 18.662 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.384 HA :: 4.485 HB1 :: 1.601 HB2 :: 1.601 HB3 :: 1.601 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.373 Ave N Shift Values>> N :: 123.23(3.7) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.17 D 0.13 Y 0.05 F 0.04 L 0.01 E 0.01 C Shift Assignments>> C :: 173.593 CA :: 52.352 CB :: 38.304 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 :: 8.191 HA :: 5.056 HB2 :: 2.902 HB3 :: 2.592 HD21 :: 6.904 HD22 :: 7.698 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 :: 119.476 ND2 :: 112.018 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 C 0.36 M 0.05 C Shift Assignments>> C :: 175.215 CA :: 53.849 CB :: 31.312 CG :: 35.735 CE :: 19.506 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 :: 8.376 HA :: 4.585 HB2 :: 1.939 HB3 :: 1.939 HG2 :: 3.554 HG3 :: 2.959 HE1 :: 2.080 HE2 :: 2.080 HE3 :: 2.080 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 :: 122.705 Ave N Shift Values>> N :: 120.1(3.88) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.574 CA :: 62.085 CB :: 69.733 CG2 :: 23.017 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 :: 7.714 HA :: 4.291 HB :: 4.286 HG21 :: 1.247 HG22 :: 1.247 HG23 :: 1.247 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.016 Ave N Shift Values>> N :: 115.7(5.05) 1.R128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.32 G 0.16 L 0.03 K 0.03 C Shift Assignments>> C :: 176.978 CA :: 54.727 CB :: 29.598 CG :: 27.539 CD :: 43.864 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 :: 8.658 HA :: 3.308 HB2 :: 1.723 HB3 :: 1.556 HG2 :: 1.797 HG3 :: 1.797 HD2 :: 3.276 HD3 :: 3.187 HE :: 7.376 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.722 NE :: 84.639 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.42 C Shift Assignments>> C :: 175.794 CA :: 66.549 CB :: 31.677 CG :: 28.811 CD :: 50.788 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 :: 3.933 HB2 :: 2.108 HB3 :: 1.989 HG2 :: 2.174 HG3 :: 2.033 HD2 :: 3.327 HD3 :: 2.372 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.S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.445 CA :: 58.911 CB :: 62.680 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.375 HA :: 3.988 HB2 :: 3.989 HB3 :: 3.816 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.696 Ave N Shift Values>> N :: 116.3(3.95) 1.D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.23 C 0.15 G 0.13 R 0.1 N 0.06 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.879 CA :: 51.195 CB :: 42.816 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.514 HA :: 4.872 HB2 :: 3.232 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 :: 126.377 Ave N Shift Values>> N :: 120.73(4.2) 1.P132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.29 C Shift Assignments>> C :: 178.097 CA :: 65.079 CB :: 32.409 CG :: 27.397 CD :: 51.647 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 :: 4.392 HB2 :: 2.456 HB3 :: 2.007 HG2 :: 2.091 HG3 :: 2.091 HD2 :: 4.104 HD3 :: 4.104 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.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.32 R 0.2 Q 0.04 M 0.02 V 0.02 C Shift Assignments>> C :: 179.532 CA :: 58.521 CB :: 32.191 CG :: 25.602 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 :: 8.842 HA :: 3.958 HB2 :: 1.774 HB3 :: 1.621 HG2 :: 1.605 HG3 :: 1.466 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 :: 116.306 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T134 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.356 CA :: 66.383 CB :: 66.847 CG2 :: 23.363 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 :: 8.292 HA :: 3.147 HB :: 4.045 HG21 :: 0.058(S) HG22 :: 0.058(S) HG23 :: 0.058(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.833 Ave N Shift Values>> N :: 115.7(5.05) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 178.902 CA :: 54.999 CB :: 17.775 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.030 HA :: 3.583 HB1 :: 1.483 HB2 :: 1.483 HB3 :: 1.483 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.720 Ave N Shift Values>> N :: 123.23(3.7) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.22 K 0.05 M 0.02 Q 0.02 C Shift Assignments>> C :: 179.199 CA :: 59.837 CB :: 29.786 CG :: 36.330 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 :: 7.216 HA :: 3.922 HB2 :: 1.993 HB3 :: 1.993 HG2 :: 2.201 HG3 :: 2.380 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 :: 114.623 Ave N Shift Values>> N :: 120.68(3.68) 1.K137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.3 K 0.29 L 0.01 M 0.01 C Shift Assignments>> C :: 178.834 CA :: 57.343 CB :: 30.463 CG :: 23.846 CD :: 27.530 CE :: 41.480 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 :: 7.681 HA :: 4.204 HB2 :: 1.882 HB3 :: 1.882 HG2 :: 1.453 HG3 :: 1.286 HD2 :: 1.822 HD3 :: 1.724 HE2 :: 2.933 HE3 :: 2.719 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.789 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 F 0.06 C Shift Assignments>> C :: 178.027 CA :: 57.507 CB :: 35.889 CD1 :: 128.612 CD2 :: 128.612 CE1 :: 130.107 CE2 :: 130.107 CZ :: 127.966 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 :: 8.059 HA :: 4.033 HB2 :: 3.140 HB3 :: 2.472 HD1 :: 6.114 HD2 :: 6.114 HE1 :: 6.633 HE2 :: 6.633 HZ :: 5.567 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.373 Ave N Shift Values>> N :: 120.69(4.18) 1.N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.25 Y 0.14 M 0.07 F 0.07 N 0.06 K 0.03 I 0.03 D 0.01 HN Overlap>> 1.N74 1.N74 C Shift Assignments>> C :: 178.190 CA :: 56.224 CB :: 36.734 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 :: 8.683 HA :: 4.404 HB2 :: 3.089 HB3 :: 2.859 HD21 :: 7.909 HD22 :: 6.946 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 :: 117.611 ND2 :: 112.832 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.13 K 0.07 M 0.05 Q 0.05 C Shift Assignments>> C :: 179.751 CA :: 59.310 CB :: 30.055 CG :: 35.891 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 :: 7.868 HA :: 4.005 HB2 :: 2.201 HB3 :: 2.201 HG2 :: 2.414 HG3 :: 2.088 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 :: 121.432 Ave N Shift Values>> N :: 120.68(3.68) 1.L141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.26 R 0.06 A 0.03 HN Overlap>> 1.E145 1.E145 C Shift Assignments>> C :: 179.293 CA :: 57.436 CB :: 41.183 CG :: 25.943 CD1 :: 21.691 CD2 :: 26.584 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 :: 8.303 HA :: 4.016 HB2 :: 1.426 HB3 :: 0.718 HG :: 1.778 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 HD21 :: 0.459 HD22 :: 0.459 HD23 :: 0.459 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 :: 119.968 Ave N Shift Values>> N :: 121.98(4.07) 1.L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.31 K 0.13 G 0.04 A 0.03 C Shift Assignments>> C :: 178.002 CA :: 55.279 CB :: 42.646 CD1 :: 23.035 CD2 :: 26.407 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 :: 8.230 HA :: 4.384 HB2 :: 1.691 HB3 :: 1.894 HD11 :: 1.007 HD12 :: 1.007 HD13 :: 1.007 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 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 :: 115.040 Ave N Shift Values>> N :: 121.98(4.07) 1.G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 175.216 CA :: 46.741 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.762 HA2 :: 4.018 HA3 :: 4.019 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.977 Ave N Shift Values>> N :: 109.91(4.29) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.28 A 0.09 G 0.06 K 0.03 C Shift Assignments>> C :: 177.375 CA :: 54.525 CB :: 42.773 CD1 :: 22.593 CD2 :: 25.803 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 :: 8.241 HA :: 4.488 HB2 :: 1.683 HB3 :: 1.681 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 1.078 HD22 :: 1.078 HD23 :: 1.078 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 :: 119.660 Ave N Shift Values>> N :: 121.98(4.07) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.08 I 0.05 Q 0.04 HN Overlap>> 1.L141 1.L141 C Shift Assignments>> C :: 177.075 CA :: 56.799 CB :: 30.168 CG :: 36.306 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 :: 8.410 HA :: 4.241 HB2 :: 2.081 HB3 :: 1.982 HG2 :: 2.302 HG3 :: 2.275 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 :: 119.959 Ave N Shift Values>> N :: 120.68(3.68) 1.G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.276 CA :: 45.445 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.422 HA2 :: 3.904 HA3 :: 3.904 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.412 Ave N Shift Values>> N :: 109.91(4.29) 1.H147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.15 R 0.13 Q 0.13 E 0.12 W 0.12 C 0.12 K 0.09 M 0.07 I 0.01 C Shift Assignments>> C :: 173.990 CA :: 56.044 CB :: 30.076 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.656 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) 1.H152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 R 0.13 H 0.13 C 0.12 Q 0.12 K 0.08 M 0.06 I 0.02 V 0.01 C Shift Assignments>> C :: 179.183 CA :: 57.311 CB :: 30.151 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 :: 8.246 HA :: 4.469 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 :: 125.378 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 139 #Clerical: 0 #Suspicious: 11 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 147 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 152 #Suspicious: 0 C Shift Results: #Consistent: 644 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 986 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 2 N Shift Results: #Consistent: 153 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D17 HA = 5.739(S), Expected = 4.61, Std = 0.3100, ChiSquare = 2.7060e-04 1.K31 HD3 = 0.735(S), Expected = 1.61, Std = 0.2500, ChiSquare = 4.6526e-04 1.A39 HB1 = 0.327(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.5312e-05 1.A39 HB2 = 0.327(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.5312e-05 1.A39 HB3 = 0.327(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.5312e-05 1.P44 HD2 = 4.672(A), Expected = 3.64, Std = 0.3600, ChiSquare = 4.1482e-03 1.E56 HG3 = 1.576(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.7364e-04 1.I64 HD11 = -0.557(S), Expected = 0.70, Std = 0.3000, ChiSquare = 2.7895e-05 1.I64 HD12 = -0.557(S), Expected = 0.70, Std = 0.3000, ChiSquare = 2.7895e-05 1.I64 HD13 = -0.557(S), Expected = 0.70, Std = 0.3000, ChiSquare = 2.7895e-05 1.L69 HD11 = -0.246(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6791e-04 1.L69 HD12 = -0.246(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6791e-04 1.L69 HD13 = -0.246(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6791e-04 1.H93 HB2 = 0.168(A), Expected = 3.12, Std = 0.4300, ChiSquare = 6.6437e-12 1.M94 HG3 = 0.456(S), Expected = 2.41, Std = 0.4000, ChiSquare = 1.0343e-06 1.G95 H = 5.666(S), Expected = 8.34, Std = 0.7400, ChiSquare = 3.0208e-04 1.L114 HA = 6.014(S), Expected = 4.32, Std = 0.4700, ChiSquare = 3.1305e-04 1.R117 HG3 = 0.414(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.5708e-05 1.T134 HG21 = 0.058(S), Expected = 1.16, Std = 0.2800, ChiSquare = 8.2950e-05 1.T134 HG22 = 0.058(S), Expected = 1.16, Std = 0.2800, ChiSquare = 8.2950e-05 1.T134 HG23 = 0.058(S), Expected = 1.16, Std = 0.2800, ChiSquare = 8.2950e-05