Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.920 CA :: 62.373 CB :: 69.624 CG2 :: 21.601 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 :: 8.123 HA :: 4.308 HB :: 4.256 HG21 :: 1.195 HG22 :: 1.195 HG23 :: 1.195 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 :: 113.746 Ave N Shift Values>> N :: 115.7(5.05) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.38 K 0.08 I 0.08 Q 0.03 C Shift Assignments>> C :: 176.918 CA :: 57.286 CB :: 30.062 CG :: 36.406 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 :: 8.567 HA :: 4.228 HB2 :: 1.999 HB3 :: 1.999 HG2 :: 2.278 HG3 :: 2.278 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.277 Ave N Shift Values>> N :: 120.68(3.68) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 I 0.09 K 0.08 Q 0.03 C Shift Assignments>> C :: 177.052 CA :: 57.447 CB :: 29.981 CG :: 36.406 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 :: 8.492 HA :: 4.185 HB2 :: 1.985 HB3 :: 1.985 HG2 :: 2.264 HG3 :: 2.264 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 :: 122.200 Ave N Shift Values>> N :: 120.68(3.68) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.11 G 0.06 L 0.01 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> C :: 176.771 CA :: 56.514 CB :: 30.392 CG :: 27.258 CD :: 43.315 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 :: 8.339 HA :: 4.397 HB2 :: 1.802 HB3 :: 1.802 HG2 :: 1.649 HG3 :: 1.599 HD2 :: 3.177 HD3 :: 3.177 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 :: 122.278 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.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.29 R 0.07 A 0.01 G 0.01 C Shift Assignments>> C :: 178.201 CA :: 55.621 CB :: 42.063 CG :: 27.031 CD1 :: 25.064 CD2 :: 23.375 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 :: 8.350 HA :: 4.361 HB2 :: 1.635 HB3 :: 1.726 HG :: 1.671 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 HD21 :: 0.892 HD22 :: 0.892 HD23 :: 0.892 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.695 Ave N Shift Values>> N :: 121.98(4.07) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.2 G 0.01 HN Overlap>> 1.R11 1.R11 C Shift Assignments>> C :: 178.272 CA :: 58.747 CB :: 32.520 CG :: 24.863 CD :: 29.174 CE :: 42.348 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 :: 8.365 HA :: 4.073 HB2 :: 1.867 HB3 :: 1.867 HG2 :: 1.539 HG3 :: 1.451 HD2 :: 1.713 HD3 :: 1.713 HE2 :: 3.006 HE3 :: 3.006 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 :: 122.380 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.15 K 0.08 Q 0.03 HN Overlap>> 1.H72 1.H72 C Shift Assignments>> C :: 177.995 CA :: 58.454 CB :: 29.443 CG :: 36.427 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.605 HA :: 4.164 HB2 :: 2.036 HB3 :: 2.036 HG2 :: 2.288 HG3 :: 2.345 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 :: 119.534 Ave N Shift Values>> N :: 120.68(3.68) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 177.133 CA :: 62.637 CB :: 37.773 CG1 :: 28.096 CG2 :: 17.609 CD1 :: 12.583 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 :: 7.590 HA :: 3.824 HB :: 1.935 HG12 :: 1.477 HG13 :: 1.167 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.493 Ave N Shift Values>> N :: 121.6(4.72) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.13 K 0.1 Q 0.04 C Shift Assignments>> C :: 178.151 CA :: 58.436 CB :: 29.370 CG :: 36.188 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 :: 8.125 HA :: 3.996 HB2 :: 1.933 HB3 :: 2.172 HG2 :: 2.341 HG3 :: 2.313 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.510 Ave N Shift Values>> N :: 120.68(3.68) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 C 0.05 I 0.03 C Shift Assignments>> C :: 180.338 CA :: 54.505 CB :: 18.263 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.971 HA :: 4.262 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.880 Ave N Shift Values>> N :: 123.23(3.7) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.27 C Shift Assignments>> C :: 179.231 CA :: 58.276 CB :: 31.508 CG :: 24.723 CD :: 28.891 CE :: 42.160 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 :: 7.579 HA :: 4.186 HB2 :: 1.855 HB3 :: 1.855 HG2 :: 1.365 HG3 :: 1.459 HD2 :: 1.661 HD3 :: 1.661 HE2 :: 2.938 HE3 :: 2.938 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 :: 118.851 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Y 0.44 H 0.03 C Shift Assignments>> C :: 179.242 CA :: 58.230 CB :: 36.085 CD1 :: 131.788 CD2 :: 131.788 CE1 :: 118.494 CE2 :: 118.494 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 :: 7.844 HA :: 4.750 HB2 :: 3.082 HB3 :: 3.224 HD1 :: 6.982 HD2 :: 6.982 HE1 :: 6.764 HE2 :: 6.764 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.069 Ave N Shift Values>> N :: 120.79(4.69) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 C 0.16 L 0.11 K 0.1 D 0.09 I 0.05 N 0.01 R 0.01 C Shift Assignments>> C :: 178.683 CA :: 57.438 CB :: 40.519 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 :: 8.662 HA :: 4.686 HB2 :: 2.695 HB3 :: 2.864 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 :: 122.168 Ave N Shift Values>> N :: 120.73(4.2) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.17 K 0.08 Q 0.03 C Shift Assignments>> C :: 178.877 CA :: 59.048 CB :: 29.526 CG :: 36.218 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 :: 7.793 HA :: 3.995 HB2 :: 2.150 HB3 :: 2.150 HG2 :: 2.348 HG3 :: 2.279 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 :: 119.750 Ave N Shift Values>> N :: 120.68(3.68) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 176.149 CA :: 63.912 CB :: 38.868 CG1 :: 28.385 CG2 :: 17.387 CD1 :: 14.061 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 :: 7.517 HA :: 3.632 HB :: 2.002 HG12 :: 1.793 HG13 :: 1.329 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 HD11 :: 1.135 HD12 :: 1.135 HD13 :: 1.135 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.896 Ave N Shift Values>> N :: 121.6(4.72) 1.A23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 178.501 CA :: 50.748 CB :: 19.247 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.408 HA :: 2.419(S) HB1 :: 0.080(S) HB2 :: 0.080(S) HB3 :: 0.080(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.930 Ave N Shift Values>> N :: 123.23(3.7) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.36 R 0.19 G 0.01 C Shift Assignments>> C :: 176.613 CA :: 59.438 CB :: 32.305 CG :: 23.483 CD :: 29.372 CE :: 42.160 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 :: 6.737 HA :: 3.840 HB2 :: 1.685 HB3 :: 1.798 HG2 :: 1.242 HG3 :: 1.357 HD2 :: 1.621 HD3 :: 1.621 HE2 :: 2.975 HE3 :: 2.975 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 :: 118.994 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.1 N 0.09 F 0.08 Y 0.06 R 0.03 C Shift Assignments>> C :: 176.309 CA :: 54.271 CB :: 41.235 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 :: 8.194 HA :: 4.857 HB2 :: 2.439 HB3 :: 2.913 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 :: 117.444 Ave N Shift Values>> N :: 120.73(4.2) 1.W26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 W 0.41 C Shift Assignments>> C :: 174.926 CA :: 53.076 CB :: 28.113 CD1 :: 122.891 CE3 :: 120.651 CZ2 :: 114.411 CZ3 :: 120.635 CH2 :: 124.778 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 :: 7.497 HA :: 5.143 HB2 :: 3.705 HB3 :: 3.002 HD1 :: 6.887 HE1 :: 9.826 HE3 :: 7.094 HZ2 :: 7.370 HZ3 :: 6.541 HH2 :: 7.207 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.724 NE1 :: 126.183 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.835 CA :: 62.321 CB :: 32.109 CG :: 27.599 CD :: 50.347 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 :: 4.675 HB2 :: 2.445 HB3 :: 2.098 HG2 :: 1.983 HG3 :: 2.105 HD2 :: 3.931 HD3 :: 3.931 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.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.34 R 0.29 G 0.01 C Shift Assignments>> C :: 176.663 CA :: 58.084 CB :: 32.257 CG :: 25.310 CD :: 28.288 CE :: 42.501 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 :: 8.903 HA :: 4.253 HB2 :: 1.968 HB3 :: 2.153 HG2 :: 1.681 HG3 :: 1.681 HD2 :: 1.710 HD3 :: 1.782 HE2 :: 3.069 HE3 :: 3.069 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.276 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.32 K 0.18 G 0.01 C Shift Assignments>> C :: 175.582 CA :: 54.694 CB :: 37.007 CG :: 25.175 CD :: 29.610 CE :: 42.218 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 :: 7.789 HA :: 5.669 HB2 :: 1.723 HB3 :: 1.849 HG2 :: 1.447 HG3 :: 1.447 HD2 :: 1.642 HD3 :: 1.689 HE2 :: 2.966 HE3 :: 2.966 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 :: 115.268 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.31 I 0.01 C Shift Assignments>> C :: 173.347 CA :: 60.546 CB :: 36.723 CG1 :: 20.850 CG2 :: 21.434 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 :: 8.765 HA :: 4.424 HB :: 1.753 HG11 :: 0.521 HG12 :: 0.521 HG13 :: 0.521 HG21 :: 0.605 HG22 :: 0.605 HG23 :: 0.605 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.330 Ave N Shift Values>> N :: 121.02(4.96) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.32 R 0.23 G 0.01 C Shift Assignments>> C :: 174.579 CA :: 54.857 CB :: 32.488 CG :: 24.866 CD :: 28.818 CE :: 42.257 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 :: 8.462 HA :: 4.750 HB2 :: 1.593 HB3 :: 1.899 HG2 :: 1.348 HG3 :: 1.348 HD2 :: 1.651 HD3 :: 1.651 HE2 :: 2.894 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 :: 125.754 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 H 0.05 W 0.03 Y 0.02 C Shift Assignments>> C :: 176.868 CA :: 57.196 CB :: 36.035 CD2 :: 117.824 CE1 :: 138.278 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 :: 9.805 HA :: 4.569 HB2 :: 2.556 HB3 :: 2.809 HD2 :: 7.310 HE1 :: 7.741 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 :: 130.153 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 176.990 CA :: 64.539 CB :: 31.777 CG1 :: 20.543 CG2 :: 20.282 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.945 HA :: 3.892 HB :: 2.091 HG11 :: 0.887 HG12 :: 0.887 HG13 :: 0.887 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 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 :: 126.939 Ave N Shift Values>> N :: 121.02(4.96) 1.L34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.5 C 0.3 R 0.13 A 0.03 G 0.01 C Shift Assignments>> C :: 176.990 CA :: 56.058 CB :: 42.284 CG :: 27.302 CD1 :: 25.596 CD2 :: 22.372 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 :: 10.862(S) HA :: 4.442 HB2 :: 1.889 HB3 :: 2.065 HG :: 2.083 HD11 :: 1.042 HD12 :: 1.042 HD13 :: 1.042 HD21 :: 1.098 HD22 :: 1.098 HD23 :: 1.098 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.285 Ave N Shift Values>> N :: 121.98(4.07) 1.H35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 W 0.39 H 0.11 C Shift Assignments>> C :: 173.034 CA :: 54.442 CB :: 28.799 CD2 :: 126.608 CE1 :: 141.487(A) 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 :: 8.096 HA :: 4.531 HB2 :: 3.034 HB3 :: 1.352(S) HD2 :: 7.131 HE1 :: 8.186 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.630 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.16 K 0.06 Q 0.02 HN Overlap>> 1.K82 1.K82 C Shift Assignments>> C :: 178.259 CA :: 58.930 CB :: 29.937 CG :: 36.405 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 :: 8.399 HA :: 3.800 HB2 :: 1.809 HB3 :: 1.809 HG2 :: 2.136 HG3 :: 2.186 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.474 Ave N Shift Values>> N :: 120.68(3.68) 1.E37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.24 K 0.06 Q 0.02 C Shift Assignments>> C :: 176.868 CA :: 59.981 CB :: 29.549 CG :: 36.234 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 :: 8.924 HA :: 3.493 HB2 :: 0.844(S) HB3 :: 0.960(S) HG2 :: 1.709 HG3 :: 1.709 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 :: 116.252 Ave N Shift Values>> N :: 120.68(3.68) 1.H38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 Y 0.04 W 0.02 H 0.02 C Shift Assignments>> C :: 174.627 CA :: 54.519 CB :: 37.285(S) CD2 :: 120.061 CE1 :: 137.685 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 6.416 HA :: 5.203 HB2 :: 3.614 HB3 :: 3.071 HD2 :: 7.194 HE1 :: 7.423 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 :: 110.794 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.36 I 0.13 K 0.01 C Shift Assignments>> C :: 175.007 CA :: 57.801 CB :: 30.993 CG :: 37.701 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 :: 8.830 HA :: 4.221 HB2 :: 1.987 HB3 :: 1.987 HG2 :: 2.310 HG3 :: 2.193 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 :: 121.822 Ave N Shift Values>> N :: 120.68(3.68) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.23 G 0.16 R 0.1 A 0.01 C Shift Assignments>> C :: 176.311 CA :: 53.317 CB :: 43.451 CG :: 26.380 CD1 :: 24.399 CD2 :: 26.865 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 :: 9.028 HA :: 4.619 HB2 :: 2.017 HB3 :: 1.289 HG :: 2.254 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 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 :: 121.474 Ave N Shift Values>> N :: 121.98(4.07) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 E 0.21 C Shift Assignments>> C :: 178.303 CA :: 54.626 CB :: 33.205 CG :: 36.549 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 :: 8.580 HA :: 5.327 HB2 :: 2.044 HB3 :: 2.132 HG2 :: 2.452 HG3 :: 2.289 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.269 Ave N Shift Values>> N :: 120.68(3.68) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.33 A 0.05 R 0.04 C Shift Assignments>> C :: 176.479 CA :: 56.740 CB :: 40.855 CG :: 26.419 CD1 :: 21.992 CD2 :: 26.643 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.254 HA :: 4.123 HB2 :: 1.879 HB3 :: 1.349 HG :: 1.430 HD11 :: 0.375 HD12 :: 0.375 HD13 :: 0.375 HD21 :: 0.547 HD22 :: 0.547 HD23 :: 0.547 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 :: 133.680 Ave N Shift Values>> N :: 121.98(4.07) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 172.374 CA :: 62.734 CB :: 72.603 CG2 :: 20.399 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 :: 9.825 HA :: 4.695 HB :: 3.587 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 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 :: 127.338 Ave N Shift Values>> N :: 115.7(5.05) 1.R44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 L 0.22 K 0.07 R 0.03 C Shift Assignments>> C :: 174.884 CA :: 54.368 CB :: 28.276 CG :: 27.793 CD :: 40.019 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 :: 8.701 HA :: 4.402 HB2 :: 1.371 HB3 :: 1.533 HG2 :: 0.904 HG3 :: 1.160 HD2 :: 1.962(S) HD3 :: 2.044(S) HE :: 8.047 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 :: 128.589 NE :: 86.914 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.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.46 C Shift Assignments>> C :: 174.323 CA :: 60.629 CB :: 34.832 CG1 :: 20.502 CG2 :: 21.858 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.505 HA :: 3.996 HB :: 1.551 HG11 :: 0.344 HG12 :: 0.344 HG13 :: 0.344 HG21 :: 0.577 HG22 :: 0.577 HG23 :: 0.577 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 :: 127.311 Ave N Shift Values>> N :: 121.02(4.96) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.22 Q 0.19 E 0.08 R 0.07 I 0.04 P 0.04 C Shift Assignments>> C :: 176.728 CA :: 60.212 CB :: 28.642 CG :: 33.517 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 :: 8.462 HA :: 3.899 HB2 :: 2.089 HB3 :: 2.117 HG2 :: 2.334 HG3 :: 2.410 HE21 :: 6.794 HE22 :: 7.546 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.618 NE2 :: 112.039 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.46 C Shift Assignments>> C :: 172.651 CA :: 60.652 CB :: 34.826 CG1 :: 21.319 CG2 :: 20.111 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.579 HA :: 4.875 HB :: 1.944 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.359 Ave N Shift Values>> N :: 121.02(4.96) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.48 C Shift Assignments>> C :: 173.205 CA :: 56.249 CB :: 39.091 CD1 :: 133.132 CD2 :: 135.255 CE1 :: 116.840 CE2 :: 118.004 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 :: 8.115 HA :: 4.764 HB2 :: 2.762 HB3 :: 2.628 HD1 :: 6.141 HD2 :: 6.182 HE1 :: 5.712 HE2 :: 6.015 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 :: 122.352 Ave N Shift Values>> N :: 120.79(4.69) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.346 CA :: 61.933 CB :: 69.664 CG2 :: 21.519 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 :: 8.911 HA :: 4.163 HB :: 3.722 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.429 Ave N Shift Values>> N :: 115.7(5.05) 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.16 R 0.13 E 0.12 K 0.1 H 0.09 V 0.09 Q 0.05 I 0.03 C Shift Assignments>> C :: 176.588 CA :: 59.016 CB :: 31.441 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.251 HA :: 3.989 HB2 :: 3.272 HB3 :: 1.568 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 :: 129.554 Ave N Shift Values>> N :: 119.95(4.79) 1.D51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.23 L 0.19 K 0.18 C 0.12 F 0.1 Y 0.07 D 0.05 G 0.01 I 0.01 C Shift Assignments>> C :: 175.528 CA :: 57.333 CB :: 42.599 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 :: 9.365 HA :: 4.390 HB2 :: 1.334(S) HB3 :: 2.359 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 :: 128.526 Ave N Shift Values>> N :: 120.73(4.2) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.31 R 0.29 G 0.01 C Shift Assignments>> C :: 176.306 CA :: 58.603 CB :: 34.454 CG :: 25.731 CD :: 29.558 CE :: 42.468 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 :: 8.869 HA :: 4.541 HB2 :: 1.607 HB3 :: 1.935 HG2 :: 1.373 HG3 :: 1.449 HD2 :: 1.757 HD3 :: 1.850 HE2 :: 3.126 HE3 :: 3.156 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 :: 120.486 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.16 R 0.13 E 0.13 H 0.09 V 0.08 K 0.08 Q 0.06 I 0.04 HN Overlap>> 1.E54 1.E54 C Shift Assignments>> C :: 175.308 CA :: 59.170 CB :: 31.099 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.943 HA :: 4.792 HB2 :: 2.899 HB3 :: 3.373 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 :: 116.421 Ave N Shift Values>> N :: 119.95(4.79) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 I 0.3 E 0.17 K 0.03 HN Overlap>> 1.C53 1.C53 C Shift Assignments>> C :: 174.908 CA :: 58.423 CB :: 26.975 CG :: 36.983 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 :: 7.901 HA :: 4.006 HB2 :: 2.278 HB3 :: 2.278 HG2 :: 2.097 HG3 :: 2.097 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 :: 116.476 Ave N Shift Values>> N :: 120.68(3.68) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 E 0.33 Q 0.01 I 0.01 C Shift Assignments>> C :: 175.834 CA :: 54.776 CB :: 32.344 CG :: 36.570 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.019 HA :: 4.764 HB2 :: 2.264 HB3 :: 2.264 HG2 :: 2.314 HG3 :: 2.485 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 :: 118.448 Ave N Shift Values>> N :: 120.68(3.68) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 E 0.33 I 0.08 C Shift Assignments>> C :: 177.765 CA :: 56.856 CB :: 31.369 CG :: 37.973 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 :: 8.636 HA :: 4.571 HB2 :: 1.870 HB3 :: 2.003 HG2 :: 2.002 HG3 :: 2.193 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 :: 121.716 Ave N Shift Values>> N :: 120.68(3.68) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.27 G 0.15 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 170.562 CA :: 43.746 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.610 HA2 :: 4.676 HA3 :: 2.786 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.683 Ave N Shift Values>> N :: 109.91(4.29) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 T 0.12 C Shift Assignments>> C :: 175.395 CA :: 59.171 CB :: 74.193 CG2 :: 22.506 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 :: 7.775 HA :: 4.890 HB :: 4.248 HG21 :: 1.181 HG22 :: 1.181 HG23 :: 1.181 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.057 Ave N Shift Values>> N :: 115.7(5.05) 1.I59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.79 C 0.19 C Shift Assignments>> C :: 176.834 CA :: 66.946 CB :: 34.637 CG1 :: 26.767 CG2 :: 17.158 CD1 :: 10.497 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 :: 7.540 HA :: 2.962 HB :: 2.480 HG12 :: 1.074 HG13 :: 1.196 HG21 :: -0.247(S) HG22 :: -0.247(S) HG23 :: -0.247(S) HD11 :: 0.566 HD12 :: 0.566 HD13 :: 0.566 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.738 Ave N Shift Values>> N :: 121.6(4.72) 1.W60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 W 0.26 C Shift Assignments>> C :: 176.309 CA :: 55.240 CB :: 35.270 CD1 :: 126.919 CE3 :: 120.876 CZ2 :: 114.359 CZ3 :: 122.118 CH2 :: 124.837 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 :: 9.103 HA :: 5.674 HB2 :: 3.220 HB3 :: 3.275 HD1 :: 7.180 HE1 :: 9.617 HE3 :: 7.328 HZ2 :: 7.330 HZ3 :: 6.872 HH2 :: 7.201 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 :: 121.134 NE1 :: 126.213 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 174.370 CA :: 55.550 CB :: 66.404 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.203 HA :: 4.572 HB2 :: 2.564(S) HB3 :: 2.775(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.861 Ave N Shift Values>> N :: 116.3(3.95) 1.Y62 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 :: 173.970 CA :: 61.264 CB :: 38.156 CD1 :: 131.798 CD2 :: 131.798 CE1 :: 117.742 CE2 :: 117.742 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 :: 8.768 HA :: 4.306 HB2 :: 2.411 HB3 :: 2.632 HD1 :: 6.544 HD2 :: 6.544 HE1 :: 6.310 HE2 :: 6.310 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 :: 122.324 Ave N Shift Values>> N :: 120.79(4.69) 1.H63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 H 0.33 W 0.31 C Shift Assignments>> C :: 174.773 CA :: 54.953 CB :: 32.535 CD2 :: 120.628 CE1 :: 137.720 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 :: 8.328 HA :: 5.679 HB2 :: 3.250 HB3 :: 3.009 HD2 :: 7.313 HE1 :: 8.904 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 :: 125.244 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.15 R 0.15 C 0.14 H 0.13 Q 0.1 K 0.07 I 0.03 V 0.03 C Shift Assignments>> C :: 176.028 CA :: 57.938 CB :: 30.560 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.713 HA :: 4.750 HB2 :: 2.544 HB3 :: 2.684 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 :: 127.535 Ave N Shift Values>> N :: 119.95(4.79) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.2 R 0.17 C 0.11 F 0.1 D 0.08 Y 0.07 I 0.01 C Shift Assignments>> C :: 177.404 CA :: 56.645 CB :: 42.282 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 :: 9.014 HA :: 4.432 HB2 :: 2.727 HB3 :: 2.812 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 :: 128.782 Ave N Shift Values>> N :: 120.73(4.2) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.14 K 0.06 Q 0.03 C Shift Assignments>> C :: 178.670 CA :: 59.048 CB :: 30.209 CG :: 36.218 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 :: 8.241 HA :: 4.116 HB2 :: 1.813 HB3 :: 1.813 HG2 :: 2.145 HG3 :: 2.145 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.545 Ave N Shift Values>> N :: 120.68(3.68) 1.C67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.15 R 0.13 E 0.11 K 0.11 V 0.1 H 0.08 Q 0.05 I 0.03 HN Overlap>> 1.N78 1.N78 C Shift Assignments>> C :: 175.053 CA :: 59.079 CB :: 31.681 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.702 HA :: 4.359 HB2 :: 3.432 HB3 :: 2.340 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 :: 117.143 Ave N Shift Values>> N :: 119.95(4.79) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 C 0.17 Y 0.17 F 0.16 N 0.14 L 0.09 I 0.02 K 0.02 E 0.01 C Shift Assignments>> C :: 172.916 CA :: 55.440 CB :: 39.612 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 :: 7.798 HA :: 4.126 HB2 :: 3.290 HB3 :: 2.437 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 :: 121.131 Ave N Shift Values>> N :: 120.73(4.2) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.3 G 0.1 C Shift Assignments>> C :: 173.932 CA :: 55.852 CB :: 43.185 CD1 :: 131.741 CD2 :: 131.741 CE1 :: 131.086 CE2 :: 131.086 CZ :: 129.219 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 :: 7.122 HA :: 4.741 HB2 :: 2.126 HB3 :: 2.260 HD1 :: 6.908 HD2 :: 6.908 HE1 :: 7.115 HE2 :: 7.115 HZ :: 6.927 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.717 Ave N Shift Values>> N :: 120.69(4.18) 1.D70 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 G 0.44 L 0.06 C Shift Assignments>> C :: 173.507 CA :: 54.100 CB :: 47.877(S) 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 :: 8.995 HA :: 5.371 HB2 :: 1.725(S) HB3 :: 2.005 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.847 Ave N Shift Values>> N :: 120.73(4.2) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.43 L 0.1 C Shift Assignments>> C :: 177.697 CA :: 52.859 CB :: 47.075 CG :: 26.291 CD1 :: 25.720 CD2 :: 26.954 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 :: 8.544 HA :: 5.729 HB2 :: 1.345 HB3 :: 1.562 HG :: 1.513 HD11 :: 0.173 HD12 :: 0.173 HD13 :: 0.173 HD21 :: 0.787 HD22 :: 0.787 HD23 :: 0.787 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 :: 117.461 Ave N Shift Values>> N :: 121.98(4.07) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 W 0.29 H 0.23 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> C :: 177.798 CA :: 57.365 CB :: 33.302 CD2 :: 119.684 CE1 :: 139.103 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 :: 8.659 HA :: 5.333 HB2 :: 3.732 HB3 :: 3.334 HD2 :: 7.774 HE1 :: 7.358 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.553 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.59 A 0.28 C 0.1 V 0.01 C Shift Assignments>> C :: 179.706 CA :: 56.742 CB :: 16.400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.344 HA :: 3.902 HB1 :: 0.468(S) HB2 :: 0.468(S) HB3 :: 0.468(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.438 Ave N Shift Values>> N :: 123.23(3.7) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.22 G 0.01 C Shift Assignments>> C :: 177.941 CA :: 58.990 CB :: 31.597 CG :: 25.220 CD :: 29.579 CE :: 42.103 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 :: 8.469 HA :: 4.033 HB2 :: 1.830 HB3 :: 1.874 HG2 :: 1.355 HG3 :: 1.659 HD2 :: 1.622 HD3 :: 1.622 HE2 :: 2.810 HE3 :: 2.607 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 112.704 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.26 V 0.24 I 0.16 C 0.12 W 0.08 R 0.03 E 0.03 H 0.01 K 0.01 C Shift Assignments>> C :: 175.529 CA :: 62.342 CB :: 30.700 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.758 HA :: 4.227 HB2 :: 2.944 HB3 :: 3.038 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 :: 118.630 Ave N Shift Values>> N :: 119.95(4.79) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 L 0.11 C 0.08 C Shift Assignments>> C :: 177.870 CA :: 53.004 CB :: 20.777 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.180 HA :: 4.064 HB1 :: 0.950 HB2 :: 0.950 HB3 :: 0.950 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.376 Ave N Shift Values>> N :: 123.23(3.7) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.24 A 0.2 R 0.02 G 0.01 C Shift Assignments>> C :: 177.074 CA :: 54.447 CB :: 41.965 CG :: 26.552 CD1 :: 24.619 CD2 :: 21.471 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 :: 7.772 HA :: 4.259 HB2 :: 1.393 HB3 :: 1.565 HG :: 1.504 HD11 :: 0.474 HD12 :: 0.474 HD13 :: 0.474 HD21 :: 0.520 HD22 :: 0.520 HD23 :: 0.520 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 113.870 Ave N Shift Values>> N :: 121.98(4.07) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.21 C 0.15 Y 0.08 F 0.07 L 0.05 HN Overlap>> 1.C67 1.C67 C Shift Assignments>> C :: 175.038 CA :: 53.362 CB :: 39.078 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.702 HA :: 4.706 HB2 :: 2.861 HB3 :: 2.861 HD21 :: 6.875 HD22 :: 7.633 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 :: 117.219 ND2 :: 113.080 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.41 K 0.06 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.152 CA :: 56.597 CB :: 30.726 CG :: 36.406 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 :: 8.457 HA :: 4.332 HB2 :: 1.908 HB3 :: 2.090 HG2 :: 2.206 HG3 :: 2.206 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 :: 121.026 Ave N Shift Values>> N :: 120.68(3.68) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 K 0.13 C 0.11 F 0.08 N 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 176.538 CA :: 54.492 CB :: 41.187 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 :: 8.542 HA :: 4.652 HB2 :: 2.640 HB3 :: 2.738 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 :: 121.601 Ave N Shift Values>> N :: 120.73(4.2) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.703 CA :: 62.081 CB :: 69.641 CG2 :: 21.683 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 :: 8.135 HA :: 4.340 HB :: 4.293 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 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 :: 114.710 Ave N Shift Values>> N :: 115.7(5.05) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.18 G 0.01 HN Overlap>> 1.E36 1.E36 C Shift Assignments>> C :: 176.637 CA :: 56.406 CB :: 32.944 CG :: 24.726 CD :: 29.164 CE :: 42.163 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 :: 8.354 HA :: 4.352 HB2 :: 1.823 HB3 :: 1.878 HG2 :: 1.449 HG3 :: 1.449 HD2 :: 1.700 HD3 :: 1.700 HE2 :: 2.995 HE3 :: 2.995 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 :: 123.543 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 K 0.09 Q 0.07 I 0.07 C Shift Assignments>> C :: 176.598 CA :: 58.098 CB :: 30.346 CG :: 35.849 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 :: 8.470 HA :: 4.353 HB2 :: 2.100 HB3 :: 1.974 HG2 :: 2.280 HG3 :: 2.280 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 :: 121.957 Ave N Shift Values>> N :: 120.68(3.68) 1.S84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 78 #Clerical: 0 #Suspicious: 9 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 75 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 13 Shift Relative Order (SRO) Results: #Consistent: 89 #Suspicious: 0 C Shift Results: #Consistent: 350 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 H Shift Results: #Consistent: 521 #Duplicate: 0 #Unknown: 0 #Suspicious: 20 #Anomalous: 0 N Shift Results: #Consistent: 80 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A23 HA = 2.419(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.1688e-05 1.A23 HB1 = 0.080(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.9929e-07 1.A23 HB2 = 0.080(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.9929e-07 1.A23 HB3 = 0.080(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.9929e-07 1.L34 H = 10.862(S), Expected = 8.22, Std = 0.6500, ChiSquare = 4.8112e-05 1.H35 CE1 = 141.487(A), Expected = 136.05, Std = 3.5800, ChiSquare = 1.2883e-01 1.H35 HB3 = 1.352(S), Expected = 3.11, Std = 0.4500, ChiSquare = 9.3578e-05 1.E37 HB2 = 0.844(S), Expected = 2.04, Std = 0.2200, ChiSquare = 5.4379e-08 1.E37 HB3 = 0.960(S), Expected = 2.04, Std = 0.2300, ChiSquare = 2.6576e-06 1.H38 CB = 37.285(S), Expected = 29.95, Std = 2.1500, ChiSquare = 6.4576e-04 1.R44 HD2 = 1.962(S), Expected = 3.13, Std = 0.2300, ChiSquare = 3.8091e-07 1.R44 HD3 = 2.044(S), Expected = 3.13, Std = 0.2200, ChiSquare = 7.9593e-07 1.D51 HB2 = 1.334(S), Expected = 2.74, Std = 0.2900, ChiSquare = 1.2454e-06 1.I59 HG21 = -0.247(S), Expected = 0.80, Std = 0.2900, ChiSquare = 3.0579e-04 1.I59 HG22 = -0.247(S), Expected = 0.80, Std = 0.2900, ChiSquare = 3.0579e-04 1.I59 HG23 = -0.247(S), Expected = 0.80, Std = 0.2900, ChiSquare = 3.0579e-04 1.S61 HB2 = 2.564(S), Expected = 3.88, Std = 0.2900, ChiSquare = 5.6809e-06 1.S61 HB3 = 2.775(S), Expected = 3.87, Std = 0.3100, ChiSquare = 4.1203e-04 1.D70 Typing: Mistyped 1.D70 CB = 47.877(S), Expected = 40.70, Std = 1.6700, ChiSquare = 1.7265e-05 1.D70 HB2 = 1.725(S), Expected = 2.74, Std = 0.2900, ChiSquare = 4.6526e-04 1.A73 HB1 = 0.468(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.6429e-04 1.A73 HB2 = 0.468(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.6429e-04 1.A73 HB3 = 0.468(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.6429e-04