Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.K1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.25 C 0.24 Q 0.23 R 0.08 W 0.08 E 0.05 V 0.02 C Shift Assignments>> CA :: 56.002 CB :: 33.226 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 :: 4.131 HB2 :: 1.448 HB3 :: 1.239 HE2 :: 2.971 HE3 :: 2.971 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.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.197 CB :: 63.321 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.901 HA :: 4.414 HB2 :: 3.778 HB3 :: 3.691 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 :: 116.493 Ave N Shift Values>> N :: 116.3(3.95) 1.F3 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.22 N 0.16 C 0.16 Y 0.15 F 0.14 L 0.09 K 0.01 I 0.01 C Shift Assignments>> CA :: 55.156 CB :: 39.642 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 :: 7.665 HA :: 4.447 HB2 :: 1.577(S) HB3 :: 1.134(S) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.829 Ave N Shift Values>> N :: 120.69(4.18) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 R 0.19 K 0.19 W 0.14 E 0.09 Q 0.09 C Shift Assignments>> CA :: 54.209 CB :: 31.766 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 :: 7.348 HA :: 4.950 HB2 :: 2.087 HB3 :: 1.776 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.693 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 C 0.17 W 0.13 P 0.13 I 0.1 R 0.07 E 0.06 K 0.04 Q 0.02 C Shift Assignments>> CA :: 61.103 CB :: 31.225 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.082 HA :: 4.254 HB2 :: 3.551 HB3 :: 3.071 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 :: 126.085 Ave N Shift Values>> N :: 119.95(4.79) 1.S6 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>> CA :: 61.602 CB :: 64.272 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.186 HA :: 4.265 HB2 :: 4.149 HB3 :: 4.149 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 :: 127.403 Ave N Shift Values>> N :: 116.3(3.95) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.17 Y 0.16 C 0.15 L 0.12 N 0.08 K 0.05 I 0.02 C Shift Assignments>> CA :: 55.797 CB :: 40.126 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.356 HA :: 5.150 HB2 :: 3.609 HB3 :: 2.949 HD21 :: 8.595 HD22 :: 6.922 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 :: 122.845 ND2 :: 116.110 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.2 K 0.14 Q 0.13 W 0.07 E 0.05 R 0.04 I 0.01 P 0.01 Y 0.01 HN Overlap>> 1.N38 1.E23 1.N38 1.E23 C Shift Assignments>> CA :: 59.630 CB :: 33.596 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.605 HA :: 5.008 HB2 :: 3.383 HB3 :: 2.313 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 :: 118.526 Ave N Shift Values>> N :: 119.95(4.79) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 T 0.2 V 0.19 P 0.07 C 0.05 F 0.05 Y 0.04 S 0.03 W 0.03 E 0.01 R 0.01 C Shift Assignments>> CA :: 61.561 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.761 HA :: 4.387 HB2 :: 4.116 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 :: 113.756 Ave N Shift Values>> N :: 116.3(3.95) 1.V10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 61.302 CB :: 69.416 CG2 :: 21.545 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 :: 8.556 HA :: 5.283 HB :: 4.936 HG21 :: 1.358 HG22 :: 1.358 HG23 :: 1.358 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 :: 109.846 Ave N Shift Values>> N :: 115.7(5.05) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 E 0.24 Q 0.06 C Shift Assignments>> CA :: 55.129 CB :: 33.063 CG :: 35.457 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 :: 7.430 HA :: 4.998 HB2 :: 2.115 HB3 :: 1.975 HG2 :: 2.290 HG3 :: 2.290 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 :: 119.871 Ave N Shift Values>> N :: 120.68(3.68) 1.T13 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.85 C 0.13 C Shift Assignments>> CA :: 59.754 CB :: 67.000 CG2 :: 15.456(S) 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 :: 7.900 HA :: 4.534 HB :: 3.864 HG21 :: -0.922(A) HG22 :: -0.922(A) HG23 :: -0.922(A) 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 :: 116.081 Ave N Shift Values>> N :: 115.7(5.05) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.45 V 0.05 C Shift Assignments>> CA :: 61.408 CB :: 37.624 CG2 :: 19.795 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 :: 7.975 HA :: 4.210 HB :: 2.193 HG12 :: 1.081 HG13 :: 0.998 HG21 :: 1.082 HG22 :: 1.082 HG23 :: 1.082 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 :: 123.112 Ave N Shift Values>> N :: 121.6(4.72) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.19 R 0.18 W 0.15 E 0.13 Q 0.08 V 0.02 C Shift Assignments>> CA :: 56.488 CB :: 31.798 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 :: 6.984 HA :: 4.287 HB2 :: 1.853 HB3 :: 1.853 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 :: 120.382 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.W16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> CA :: 57.219 CB :: 30.031 CE3 :: 121.183 CZ2 :: 114.380 CZ3 :: 119.855 CH2 :: 124.180 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 :: 8.785 HA :: 4.504 HB2 :: 3.060 HB3 :: 2.830 HE1 :: 10.214 HE3 :: 7.301 HZ2 :: 7.148 HZ3 :: 6.379 HH2 :: 7.122 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 :: 128.975 NE1 :: 128.318 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 N 0.26 D 0.14 L 0.06 C 0.06 R 0.02 Q 0.02 K 0.02 W 0.02 Y 0.01 F 0.01 P 0.01 E 0.01 C Shift Assignments>> CA :: 52.548 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 :: 8.951 HA :: 4.416 HB2 :: 2.611 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.789 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.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.28 E 0.08 Y 0.08 D 0.04 F 0.04 K 0.01 C Shift Assignments>> CA :: 53.232 CB :: 37.015 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 :: 8.757 HA :: 4.342 HB2 :: 3.243 HB3 :: 2.892 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.180 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> CA :: 65.592 CB :: 39.044 CG2 :: 17.149 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 :: 8.279 HA :: 3.221 HB :: 1.617 HG12 :: 1.347 HG13 :: 1.347 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 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 :: 119.935 Ave N Shift Values>> N :: 121.6(4.72) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 W 0.17 Q 0.15 R 0.15 C 0.14 K 0.13 I 0.03 V 0.01 C Shift Assignments>> CA :: 57.385 CB :: 29.814 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 :: 9.850 HA :: 4.161 HB2 :: 1.988 HB3 :: 1.697 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 :: 118.377 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.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.441 CB :: 63.736 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.364 HA :: 4.331 HB2 :: 3.883 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 :: 114.670 Ave N Shift Values>> N :: 116.3(3.95) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.22 C Shift Assignments>> CA :: 59.593 CB :: 31.558 CG :: 25.043 CD :: 29.017 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 :: 8.551 HA :: 4.028 HB2 :: 2.047 HB3 :: 1.919 HG2 :: 1.523 HG3 :: 1.476 HD2 :: 1.725 HD3 :: 1.725 HE2 :: 3.025 HE3 :: 3.025 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.493 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 K 0.1 I 0.07 Q 0.05 HN Overlap>> 1.C8 1.N47 1.N38 1.C8 1.N47 1.N38 C Shift Assignments>> CA :: 57.154 CB :: 29.786 CG :: 36.238 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 :: 8.675 HA :: 4.360 HB2 :: 2.191 HB3 :: 1.960 HG2 :: 2.286 HG3 :: 2.286 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 :: 118.523 Ave N Shift Values>> N :: 120.68(3.68) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> CA :: 44.960 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.540 HA2 :: 4.252 HA3 :: 3.869 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.319 Ave N Shift Values>> N :: 109.91(4.29) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> CA :: 61.909 CB :: 38.205 CG1 :: 29.074 CG2 :: 17.259 CD1 :: 13.907 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 :: 7.627 HA :: 4.178 HB :: 1.728 HG12 :: 1.441 HG13 :: 0.977 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 HD11 :: 0.114 HD12 :: 0.114 HD13 :: 0.114 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 :: 122.452 Ave N Shift Values>> N :: 121.6(4.72) 1.Q26 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 N 0.2 E 0.2 Y 0.07 K 0.07 F 0.03 D 0.01 C Shift Assignments>> CA :: 54.099 CB :: 36.039(S) 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 :: 8.970 HA :: 6.138(S) HE21 :: 7.236 HE22 :: 7.119 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.470 NE2 :: 111.908 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 W 0.15 E 0.13 C 0.13 P 0.12 V 0.07 Q 0.07 K 0.06 I 0.03 C Shift Assignments>> CB :: 30.911 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.532 HA :: 4.458 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.748 Ave N Shift Values>> N :: 119.95(4.79) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 I 0.18 C 0.18 L 0.03 K 0.02 D 0.01 C Shift Assignments>> CA :: 59.408 CB :: 39.885 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 :: 7.471 HA :: 4.360 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 :: 117.492 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 I 0.34 C 0.1 V 0.03 C Shift Assignments>> CA :: 56.407 CB :: 17.834 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.493 HA :: 3.944 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.641 Ave N Shift Values>> N :: 123.23(3.7) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 P 0.32 V 0.08 C 0.06 W 0.01 C Shift Assignments>> CA :: 65.079 CB :: 28.541 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.098 HA :: 3.962 HB2 :: 3.251 HB3 :: 3.050 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 :: 121.832 Ave N Shift Values>> N :: 119.95(4.79) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 F 0.26 Y 0.2 C 0.16 K 0.02 L 0.01 C Shift Assignments>> CA :: 61.120 CB :: 40.323 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 :: 7.939 HA :: 4.293 HB2 :: 3.060 HB3 :: 3.060 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.269 Ave N Shift Values>> N :: 120.69(4.18) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.19 C Shift Assignments>> CA :: 59.898 CB :: 35.599 CG1 :: 27.169 CG2 :: 17.356 CD1 :: 9.115 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 :: 9.202 HA :: 3.533 HB :: 2.159 HG12 :: 2.062 HG13 :: 1.564 HG21 :: 0.585 HG22 :: 0.585 HG23 :: 0.585 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.050 Ave N Shift Values>> N :: 121.6(4.72) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 F 0.15 C 0.13 Y 0.11 C Shift Assignments>> CA :: 63.104 CB :: 39.724 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 :: 8.247 HA :: 3.590 HB2 :: 3.029 HB3 :: 2.250 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 :: 122.316 Ave N Shift Values>> N :: 120.79(4.69) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 C 0.14 I 0.14 K 0.13 W 0.12 Q 0.12 E 0.09 L 0.06 C Shift Assignments>> CA :: 58.756 CB :: 27.813 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 :: 7.496 HA :: 4.463 HB2 :: 2.274 HB3 :: 2.129 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 :: 118.554 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 E 0.17 C 0.16 R 0.14 Q 0.11 K 0.09 I 0.07 V 0.04 C Shift Assignments>> CA :: 58.779 CB :: 30.101 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 :: 7.578 HA :: 3.742 HB2 :: 1.584 HB3 :: 1.219 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.391 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.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.16 V 0.16 W 0.11 Q 0.1 R 0.08 E 0.06 I 0.01 P 0.01 C Shift Assignments>> CA :: 59.225 CB :: 32.828 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 :: 7.515 HA :: 3.732 HB2 :: 1.229 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 :: 118.401 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> CA :: 59.357 CB :: 39.918 CD1 :: 132.929 CE1 :: 116.660 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 :: 8.167 HA :: 4.409 HB2 :: 2.973 HB3 :: 2.249 HD1 :: 6.297 HD2 :: 6.297 HE1 :: 6.348 HE2 :: 6.348 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 :: 112.768 Ave N Shift Values>> N :: 120.79(4.69) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 C 0.29 E 0.13 Y 0.11 F 0.06 D 0.04 K 0.02 I 0.01 HN Overlap>> 1.C8 1.C8 1.E23 1.E23 C Shift Assignments>> CA :: 54.308 CB :: 37.068 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 :: 8.603 HA :: 4.512 HB2 :: 3.134 HB3 :: 2.713 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 :: 118.578 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 K 0.24 A 0.02 C Shift Assignments>> CA :: 54.302 CB :: 35.675 CG :: 23.781 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 :: 7.202 HA :: 4.618 HB2 :: 1.947 HB3 :: 1.754 HG2 :: 1.391 HG3 :: 1.391 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.041 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 62.594 CB :: 69.582 CG2 :: 22.441 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 :: 8.028 HA :: 4.049 HB :: 3.843 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 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 :: 114.214 Ave N Shift Values>> N :: 115.7(5.05) 1.R41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.971 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 129.158 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.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.41 P 0.27 C 0.15 W 0.04 I 0.03 K 0.02 R 0.01 E 0.01 Q 0.01 C Shift Assignments>> CA :: 62.214 CB :: 32.821 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 :: 4.517 HB2 :: 2.307 HB3 :: 2.161 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.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> CA :: 65.386 CB :: 31.634 CG1 :: 21.643 CG2 :: 20.535 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 :: 8.662 HA :: 3.639 HB :: 2.126 HG11 :: 1.072 HG12 :: 1.072 HG13 :: 1.072 HG21 :: 0.996 HG22 :: 0.996 HG23 :: 0.996 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.389 Ave N Shift Values>> N :: 121.02(4.96) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.06 C Shift Assignments>> CA :: 64.041 CB :: 67.593 CG2 :: 22.538 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 :: 7.520 HA :: 4.068 HB :: 4.222 HG21 :: 1.336 HG22 :: 1.336 HG23 :: 1.336 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 :: 109.285 Ave N Shift Values>> N :: 115.7(5.05) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 I 0.09 C 0.06 C Shift Assignments>> CA :: 54.934 CB :: 17.369 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.948 HA :: 4.258 HB1 :: 1.456 HB2 :: 1.456 HB3 :: 1.456 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.951 Ave N Shift Values>> N :: 123.23(3.7) 1.V46 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>> CA :: 66.933 CB :: 31.557 CG1 :: 21.328 CG2 :: 21.235 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 :: 7.640 HA :: 3.379 HB :: 2.233 HG11 :: 1.043 HG12 :: 1.043 HG13 :: 1.043 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.567 Ave N Shift Values>> N :: 121.02(4.96) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.2 E 0.13 F 0.13 N 0.11 D 0.05 I 0.04 L 0.01 HN Overlap>> 1.E23 1.E23 C Shift Assignments>> CA :: 56.058 CB :: 37.773 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 :: 8.755 HA :: 4.564 HB2 :: 2.880 HB3 :: 2.828 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 :: 118.550 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.12 F 0.11 S 0.1 C 0.09 Y 0.09 T 0.09 V 0.09 W 0.08 E 0.05 R 0.04 K 0.03 Q 0.02 P 0.01 L 0.01 C Shift Assignments>> CA :: 60.049 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 :: 7.822 HA :: 4.036 HB2 :: 1.867 HB3 :: 1.867 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 :: 120.410 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 Y 0.18 C 0.18 F 0.17 E 0.02 C Shift Assignments>> CA :: 61.359 CB :: 38.472 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 :: 8.116 HA :: 4.062 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 :: 121.547 Ave N Shift Values>> N :: 120.79(4.69) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.16 W 0.14 Q 0.14 C 0.13 R 0.13 E 0.12 I 0.09 L 0.03 C Shift Assignments>> CA :: 58.309 CB :: 28.486 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 :: 8.368 HA :: 4.100 HB2 :: 2.326 HB3 :: 2.237 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 :: 118.177 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 F 0.12 Y 0.11 C 0.1 W 0.1 E 0.07 R 0.06 I 0.06 K 0.05 Q 0.04 V 0.04 T 0.04 L 0.02 C Shift Assignments>> CA :: 59.058 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 :: 7.799 HA :: 4.054 HB2 :: 2.282 HB3 :: 1.941 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 :: 118.481 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 E 0.16 C 0.16 R 0.14 Q 0.1 K 0.08 I 0.08 V 0.04 C Shift Assignments>> CA :: 59.029 CB :: 30.152 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 :: 4.139 HB2 :: 1.859 HB3 :: 1.859 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 :: 118.308 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.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.19 R 0.17 W 0.15 E 0.13 Q 0.07 V 0.04 I 0.01 C Shift Assignments>> CA :: 57.173 CB :: 31.902 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 :: 7.677 HA :: 4.106 HB2 :: 1.807 HB3 :: 1.807 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 :: 118.852 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.13 D 0.12 C 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> CA :: 56.044 CB :: 42.058 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 :: 7.734 HA :: 4.278 HB2 :: 1.759 HB3 :: 1.630 HD11 :: 0.940 HD12 :: 0.940 HD13 :: 0.940 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 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 :: 120.229 Ave N Shift Values>> N :: 121.98(4.07) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 C 0.22 R 0.13 W 0.13 Q 0.12 E 0.09 V 0.05 C Shift Assignments>> CA :: 57.218 CB :: 32.492 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 :: 7.806 HA :: 4.262 HB2 :: 1.868 HB3 :: 1.868 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 :: 120.968 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.4 P 0.36 C 0.11 I 0.04 W 0.03 R 0.01 K 0.01 C Shift Assignments>> CA :: 62.817 CB :: 32.403 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 :: 7.879 HA :: 4.097 HB :: 1.738 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.961 Ave N Shift Values>> N :: 121.02(4.96) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 K 0.16 E 0.15 W 0.15 R 0.14 C 0.14 I 0.02 L 0.01 C Shift Assignments>> CA :: 56.431 CB :: 29.392 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 :: 8.206 HA :: 4.343 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.736 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 E 0.18 W 0.17 C 0.15 Q 0.15 K 0.1 I 0.02 V 0.01 C Shift Assignments>> CA :: 56.861 CB :: 30.282 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 :: 8.392 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 :: 122.311 Ave N Shift Values>> N :: 120.68(3.68) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.959 CB :: 69.716 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 :: 8.198 HA :: 4.389 HB :: 4.286 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 :: 114.837 Ave N Shift Values>> N :: 115.7(5.05) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.2 C 0.15 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> CA :: 53.471 CB :: 38.965 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.476 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.388 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.489 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.387 HA2 :: 3.994 HA3 :: 3.994 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.698 Ave N Shift Values>> N :: 109.91(4.29) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.41 P 0.26 C 0.16 W 0.05 I 0.03 K 0.02 R 0.02 E 0.01 Q 0.01 C Shift Assignments>> CA :: 62.105 CB :: 32.790 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 :: 7.991 HA :: 4.181 HB :: 2.133 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.018 Ave N Shift Values>> N :: 121.02(4.96) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.13 C 0.1 N 0.08 F 0.08 Y 0.06 R 0.03 C Shift Assignments>> CA :: 54.347 CB :: 41.249 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 :: 8.415 HA :: 4.614 HB2 :: 2.585 HB3 :: 2.585 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 :: 123.613 Ave N Shift Values>> N :: 120.73(4.2) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.002 CB :: 63.934 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.027 HA :: 4.387 HB2 :: 3.756 HB3 :: 3.756 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.025 Ave N Shift Values>> N :: 116.3(3.95) 1.F65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.766 HA :: 4.463 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 :: 126.969 Ave N Shift Values>> N :: 120.69(4.18) 2.ZN1 Overall Status: Residue type ZN not supported. 3.DC1 Overall Status: Residue type DC not supported. 3.DG2 Overall Status: Residue type DG not supported. 3.DG3 Overall Status: Residue type DG not supported. 3.DA4 Overall Status: Residue type DA not supported. 3.DA5 Overall Status: Residue type DA not supported. 3.DA6 Overall Status: Residue type DA not supported. 3.DA7 Overall Status: Residue type DA not supported. 3.DG8 Overall Status: Residue type DG not supported. 3.DT9 Overall Status: Residue type DT not supported. 3.DA10 Overall Status: Residue type DA not supported. 3.DT11 Overall Status: Residue type DT not supported. 3.DA12 Overall Status: Residue type DA not supported. 3.DC13 Overall Status: Residue type DC not supported. 3.DT14 Overall Status: Residue type DT not supported. 3.DT15 Overall Status: Residue type DT not supported. 3.DT16 Overall Status: Residue type DT not supported. 3.DT17 Overall Status: Residue type DT not supported. 3.DC18 Overall Status: Residue type DC not supported. 3.DC19 Overall Status: Residue type DC not supported. 3.DG20 Overall Status: Residue type DG not supported. ########################################################################### Overall Results: #Consistent: 62 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 60 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 65 #Suspicious: 0 C Shift Results: #Consistent: 143 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 293 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 3 N Shift Results: #Consistent: 65 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F3 HB2 = 1.577(S), Expected = 2.99, Std = 0.3700, ChiSquare = 1.3404e-04 1.F3 HB3 = 1.134(S), Expected = 2.97, Std = 0.3800, ChiSquare = 1.3545e-06 1.T13 Typing: Mistyped 1.T13 CG2 = 15.456(S), Expected = 21.44, Std = 1.3900, ChiSquare = 1.6696e-05 1.T13 HG21 = -0.922(A), Expected = 1.16, Std = 0.2800, ChiSquare = 1.0400e-13 1.T13 HG22 = -0.922(A), Expected = 1.16, Std = 0.2800, ChiSquare = 1.0400e-13 1.T13 HG23 = -0.922(A), Expected = 1.16, Std = 0.2800, ChiSquare = 1.0400e-13 1.Q26 Typing: Suspicious 1.Q26 CB = 36.039(S), Expected = 29.10, Std = 1.9700, ChiSquare = 4.2776e-04 1.Q26 HA = 6.138(S), Expected = 4.28, Std = 0.4400, ChiSquare = 2.4136e-05