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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.939 CA :: 45.342 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.969 HA3 :: 3.969 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 177.971 CA :: 52.565 CB :: 19.287 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.128 HA :: 4.329 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.703 Ave N Shift Values>> N :: 123.23(3.7) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.29 R 0.05 G 0.01 A 0.01 HN Overlap>> 1.R12 1.R12 C Shift Assignments>> C :: 177.655 CA :: 55.570 CB :: 42.202 CG :: 26.946 CD1 :: 24.727 CD2 :: 23.573 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 :: 8.240 HA :: 4.304 HB2 :: 1.591 HB3 :: 1.669 HG :: 1.640 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 HD21 :: 0.870 HD22 :: 0.870 HD23 :: 0.870 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 :: 121.161 Ave N Shift Values>> N :: 121.98(4.07) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.11 M 0.08 R 0.04 C Shift Assignments>> C :: 175.737 CA :: 56.099 CB :: 29.425 CG :: 33.794 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 :: 8.305 HA :: 4.313 HB2 :: 2.082 HB3 :: 1.980 HG2 :: 2.359 HG3 :: 2.359 HE21 :: 7.531 HE22 :: 6.858 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.538 NE2 :: 112.393 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.07 R 0.03 HN Overlap>> 1.R18 1.R18 C Shift Assignments>> C :: 176.319 CA :: 54.583 CB :: 41.204 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 :: 8.306 HA :: 4.589 HB2 :: 2.642 HB3 :: 2.727 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 :: 121.418 Ave N Shift Values>> N :: 120.73(4.2) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.1 G 0.07 L 0.01 HN Overlap>> 1.L9 1.L9 C Shift Assignments>> C :: 176.295 CA :: 56.088 CB :: 30.579 CG :: 27.035 CD :: 43.356 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 :: 8.257 HA :: 4.408 HB2 :: 1.794 HB3 :: 1.919 HG2 :: 1.637 HG3 :: 1.637 HD2 :: 3.204 HD3 :: 3.204 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.271 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.T13 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 :: 174.121 CA :: 62.448 CB :: 69.697 CG2 :: 21.595 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 :: 8.189 HA :: 4.193 HB :: 4.096 HG21 :: 1.083 HG22 :: 1.083 HG23 :: 1.083 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 :: 114.810 Ave N Shift Values>> N :: 115.7(5.05) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 M 0.13 E 0.08 R 0.04 C Shift Assignments>> C :: 175.275 CA :: 55.253 CB :: 29.838 CG :: 33.464 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 :: 8.130 HA :: 4.314 HB2 :: 1.853 HB3 :: 1.947 HG2 :: 2.108 HG3 :: 2.108 HE21 :: 7.455 HE22 :: 6.811 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 :: 122.533 NE2 :: 112.630 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 HN Overlap>> 1.L69 1.L69 C Shift Assignments>> C :: 176.465 CA :: 57.157 CB :: 40.996 CD1 :: 131.389 CD2 :: 131.389 CE1 :: 131.135 CE2 :: 131.135 CZ :: 129.020 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.151 HA :: 5.009 HB2 :: 2.761 HB3 :: 3.189 HD1 :: 7.311 HD2 :: 7.311 HE1 :: 7.146 HE2 :: 7.146 HZ :: 6.944 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 :: 120.835 Ave N Shift Values>> N :: 120.69(4.18) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.547 CA :: 56.946 CB :: 65.545 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.565 HA :: 4.610 HB2 :: 4.130 HB3 :: 4.402 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 :: 119.442 Ave N Shift Values>> N :: 116.3(3.95) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.18 I 0.1 L 0.06 D 0.05 K 0.03 N 0.01 C Shift Assignments>> C :: 179.331 CA :: 58.074 CB :: 39.875 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 :: 8.947 HA :: 4.386 HB2 :: 2.705 HB3 :: 2.705 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 :: 120.645 Ave N Shift Values>> N :: 120.73(4.2) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 G 0.08 K 0.08 L 0.01 HN Overlap>> 1.D11 1.D11 C Shift Assignments>> C :: 178.699 CA :: 59.203 CB :: 29.920 CG :: 26.780 CD :: 43.384 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 :: 8.302 HA :: 4.098 HB2 :: 1.780 HB3 :: 1.856 HG2 :: 1.643 HG3 :: 1.643 HD2 :: 3.209 HD3 :: 3.209 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.398 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.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 C 0.16 L 0.1 D 0.1 K 0.09 I 0.05 N 0.02 R 0.01 C Shift Assignments>> C :: 178.384 CA :: 57.348 CB :: 40.392 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 :: 7.853 HA :: 4.151 HB2 :: 2.403 HB3 :: 3.114 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 :: 122.636 Ave N Shift Values>> N :: 120.73(4.2) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.34 R 0.06 C Shift Assignments>> C :: 179.234 CA :: 57.587 CB :: 41.658 CG :: 26.946 CD1 :: 25.243 CD2 :: 23.600 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 :: 8.335 HA :: 3.635 HB2 :: 1.512 HB3 :: 1.843 HG :: 1.695 HD11 :: 1.001 HD12 :: 1.001 HD13 :: 1.001 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.845 Ave N Shift Values>> N :: 121.98(4.07) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.04 C 0.02 C Shift Assignments>> C :: 181.031 CA :: 55.103 CB :: 17.709 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.905 HA :: 4.123 HB1 :: 1.537 HB2 :: 1.537 HB3 :: 1.537 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.007 Ave N Shift Values>> N :: 123.23(3.7) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.834 CA :: 67.081 CB :: 68.253 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 :: 7.886 HA :: 3.954 HB :: 4.337 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 :: 119.042 Ave N Shift Values>> N :: 115.7(5.05) 1.L23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.71 L 0.28 C Shift Assignments>> C :: 178.335 CA :: 59.230 CB :: 39.399 CG :: 26.140 CD1 :: 23.129 CD2 :: 23.170 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 :: 8.036 HA :: 3.404 HB2 :: -0.814(S) HB3 :: 0.740 HG :: 0.749 HD11 :: -1.150(S) HD12 :: -1.150(S) HD13 :: -1.150(S) HD21 :: 0.036 HD22 :: 0.036 HD23 :: 0.036 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.450 Ave N Shift Values>> N :: 121.98(4.07) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.3 R 0.28 G 0.02 C Shift Assignments>> C :: 177.631 CA :: 60.367 CB :: 32.554 CG :: 26.131 CD :: 29.425 CE :: 42.449 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 :: 8.166 HA :: 4.074 HB2 :: 2.044 HB3 :: 1.979 HG2 :: 1.650 HG3 :: 1.499 HD2 :: 1.824 HD3 :: 1.663 HE2 :: 3.007 HE3 :: 3.064 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.974 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.16 M 0.02 C Shift Assignments>> C :: 179.695 CA :: 59.704 CB :: 31.816 CG :: 24.577 CD :: 29.590 CE :: 41.955 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 :: 7.837 HA :: 4.205 HB2 :: 2.004 HB3 :: 2.187 HG2 :: 1.546 HG3 :: 1.240 HD2 :: 1.692 HD3 :: 1.662 HE2 :: 2.855 HE3 :: 2.932 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 :: 120.567 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 180.035 CA :: 63.104 CB :: 36.926 CD1 :: 133.451 CD2 :: 133.451 CE1 :: 118.340 CE2 :: 118.340 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 :: 8.158 HA :: 4.089 HB2 :: 3.368 HB3 :: 3.127 HD1 :: 7.349 HD2 :: 7.349 HE1 :: 6.831 HE2 :: 6.831 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 :: 118.591 Ave N Shift Values>> N :: 120.79(4.69) 1.W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 C 0.38 C Shift Assignments>> C :: 179.209 CA :: 61.357 CB :: 28.481 CD1 :: 128.621 CE3 :: 122.058 CZ2 :: 114.635 CZ3 :: 121.931 CH2 :: 123.842 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 :: 9.294 HA :: 4.349 HB2 :: 3.678 HB3 :: 3.928 HD1 :: 7.694 HE1 :: 10.173 HE3 :: 7.943 HZ2 :: 6.979 HZ3 :: 7.030 HH2 :: 6.700 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 :: 125.036 NE1 :: 130.989 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.23 C 0.18 D 0.11 L 0.08 I 0.05 K 0.04 N 0.03 C Shift Assignments>> C :: 176.999 CA :: 57.024 CB :: 39.894 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 :: 9.354 HA :: 4.479 HB2 :: 2.939 HB3 :: 2.755 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 :: 121.650 Ave N Shift Values>> N :: 120.73(4.2) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.24 C 0.14 Y 0.06 F 0.06 L 0.05 C Shift Assignments>> C :: 174.935 CA :: 52.819 CB :: 39.320 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 :: 7.569 HA :: 4.905 HB2 :: 2.639 HB3 :: 3.001 HD21 :: 7.452 HD22 :: 6.887 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 :: 116.912 ND2 :: 112.365 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.571 CA :: 45.332 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.695 HA2 :: 3.603 HA3 :: 4.489 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.356 Ave N Shift Values>> N :: 109.91(4.29) 1.M31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.33 A 0.17 C Shift Assignments>> C :: 173.381 CA :: 54.301 CB :: 31.899 CG :: 32.362 CE :: 16.328 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.574 HA :: 4.769 HB2 :: 1.693 HB3 :: 2.475 HG2 :: 2.249 HG3 :: 2.547 HE1 :: 2.267 HE2 :: 2.267 HE3 :: 2.267 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 125.209 Ave N Shift Values>> N :: 120.1(3.88) 1.T32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.87 C 0.11 C Shift Assignments>> C :: 173.721 CA :: 59.873 CB :: 69.651 CG2 :: 20.523 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 :: 7.284 HA :: 4.003 HB :: 3.571 HG21 :: -0.286(S) HG22 :: -0.286(S) HG23 :: -0.286(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.409 Ave N Shift Values>> N :: 115.7(5.05) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 171.608 CA :: 56.764 CB :: 65.653 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.809 HA :: 4.614 HB2 :: 3.699 HB3 :: 3.943 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.742 Ave N Shift Values>> N :: 116.3(3.95) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.29 R 0.1 C Shift Assignments>> C :: 178.335 CA :: 54.583 CB :: 41.872 CG :: 28.023 CD1 :: 24.973 CD2 :: 24.657 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 :: 8.284 HA :: 4.488 HB2 :: 1.681 HB3 :: 1.745 HG :: 1.617 HD11 :: 0.963 HD12 :: 0.963 HD13 :: 0.963 HD21 :: 0.977 HD22 :: 0.977 HD23 :: 0.977 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 :: 116.566 Ave N Shift Values>> N :: 121.98(4.07) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.299 CA :: 44.707 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.159 HA2 :: 4.239 HA3 :: 3.949 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.688 Ave N Shift Values>> N :: 109.91(4.29) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 61.785 CB :: 62.793 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.123 HB2 :: 3.993 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.048 CA :: 64.423 CB :: 31.486 CG1 :: 20.889 CG2 :: 20.788 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>> HA :: 4.155 HB :: 2.264 HG11 :: 1.047 HG12 :: 1.047 HG13 :: 1.047 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 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) 1.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 C 0.15 E 0.14 I 0.13 K 0.11 Q 0.1 R 0.1 V 0.02 M 0.02 C Shift Assignments>> C :: 174.522 CA :: 59.344 CB :: 29.261 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.746 HA :: 4.787 HB2 :: 3.288 HB3 :: 2.852 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 :: 116.501 Ave N Shift Values>> N :: 119.95(4.79) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 G 0.12 K 0.04 C Shift Assignments>> C :: 177.315 CA :: 60.952 CB :: 30.332 CG :: 26.771 CD :: 43.356 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 :: 7.633 HA :: 3.847 HB2 :: 2.036 HB3 :: 1.907 HG2 :: 1.575 HG3 :: 1.628 HD2 :: 3.209 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 :: 122.520 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.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.33 E 0.25 K 0.03 C Shift Assignments>> C :: 179.719 CA :: 60.065 CB :: 29.094 CG :: 37.079 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 :: 8.827 HA :: 4.070 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.356 HG3 :: 2.356 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 :: 116.909 Ave N Shift Values>> N :: 120.68(3.68) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.32 K 0.26 G 0.01 C Shift Assignments>> C :: 176.854 CA :: 59.908 CB :: 33.704 CG :: 26.376 CD :: 29.755 CE :: 42.367 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 :: 7.660 HA :: 4.293 HB2 :: 1.928 HB3 :: 2.045 HG2 :: 1.655 HG3 :: 1.759 HD2 :: 1.636 HD3 :: 1.747 HE2 :: 3.071 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 :: 120.497 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 177.607 CA :: 65.460 CB :: 38.516 CG1 :: 29.916 CG2 :: 16.798 CD1 :: 13.846 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 :: 8.050 HA :: 3.756 HB :: 1.911 HG12 :: 1.772 HG13 :: 0.985 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 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 :: 119.276 Ave N Shift Values>> N :: 121.6(4.72) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.28 K 0.03 M 0.01 C Shift Assignments>> C :: 179.477 CA :: 59.340 CB :: 29.425 CG :: 37.122 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 :: 8.142 HA :: 4.011 HB2 :: 2.024 HB3 :: 2.024 HG2 :: 2.324 HG3 :: 2.512 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 :: 116.432 Ave N Shift Values>> N :: 120.68(3.68) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.33 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 180.958 CA :: 55.453 CB :: 18.553 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.053 HA :: 4.217 HB1 :: 1.735 HB2 :: 1.735 HB3 :: 1.735 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.819 Ave N Shift Values>> N :: 123.23(3.7) 1.V45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.66 V 0.33 C Shift Assignments>> C :: 176.465 CA :: 65.075 CB :: 29.673 CG1 :: 22.618 CG2 :: 25.855 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 :: 8.400 HA :: 3.530 HB :: 0.440(S) HG11 :: 0.752 HG12 :: 0.752 HG13 :: 0.752 HG21 :: 0.299 HG22 :: 0.299 HG23 :: 0.299 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 :: 120.862 Ave N Shift Values>> N :: 121.02(4.96) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.28 I 0.05 C 0.03 V 0.01 C Shift Assignments>> C :: 180.205 CA :: 55.753 CB :: 18.516 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.225 HA :: 3.787 HB1 :: 1.602 HB2 :: 1.602 HB3 :: 1.602 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.827 Ave N Shift Values>> N :: 123.23(3.7) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.339 CA :: 66.492 CB :: 68.772 CG2 :: 21.513 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 :: 7.850 HA :: 4.084 HB :: 4.361 HG21 :: 1.272 HG22 :: 1.272 HG23 :: 1.272 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 :: 113.467 Ave N Shift Values>> N :: 115.7(5.05) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.26 K 0.04 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.457 CA :: 60.174 CB :: 29.719 CG :: 36.432 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 :: 8.050 HA :: 4.001 HB2 :: 2.188 HB3 :: 2.081 HG2 :: 2.421 HG3 :: 2.208 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 :: 123.295 Ave N Shift Values>> N :: 120.68(3.68) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.25 R 0.1 G 0.04 A 0.04 C Shift Assignments>> C :: 176.344 CA :: 55.050 CB :: 42.861 CG :: 27.035 CD1 :: 25.408 CD2 :: 22.776 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 :: 8.198 HA :: 4.215 HB2 :: 1.574 HB3 :: 1.663 HG :: 1.754 HD11 :: 0.515 HD12 :: 0.515 HD13 :: 0.515 HD21 :: 0.752 HD22 :: 0.752 HD23 :: 0.752 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.963 Ave N Shift Values>> N :: 121.98(4.07) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 C 0.25 Y 0.11 E 0.09 F 0.06 D 0.06 M 0.03 I 0.01 K 0.01 L 0.01 C Shift Assignments>> C :: 174.522 CA :: 54.159 CB :: 37.446 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 :: 8.008 HA :: 4.411 HB2 :: 2.684 HB3 :: 3.296 HD21 :: 7.541 HD22 :: 6.782 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 :: 118.398 ND2 :: 111.795 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.15 I 0.02 A 0.02 C Shift Assignments>> C :: 174.619 CA :: 58.674 CB :: 36.102 CG1 :: 21.600 CG2 :: 19.204 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 :: 8.240 HA :: 4.792 HB :: 2.193 HG11 :: 0.929 HG12 :: 0.929 HG13 :: 0.929 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 110.142 Ave N Shift Values>> N :: 121.02(4.96) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.22 D 0.13 C 0.11 K 0.07 G 0.05 F 0.04 Y 0.03 N 0.01 C Shift Assignments>> C :: 178.262 CA :: 54.423 CB :: 43.200 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 :: 8.164 HA :: 4.597 HB2 :: 2.713 HB3 :: 2.713 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 :: 120.019 Ave N Shift Values>> N :: 120.73(4.2) 1.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 I 0.39 C 0.06 W 0.02 R 0.01 V 0.01 C Shift Assignments>> C :: 176.975 CA :: 63.438 CB :: 27.358 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.967 HA :: 3.862 HB2 :: 2.781 HB3 :: 2.996 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 :: 122.121 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 0.32 E 0.3 I 0.17 K 0.1 Q 0.06 M 0.02 C Shift Assignments>> C :: 179.064 CA :: 59.626 CB :: 29.178 CG :: 35.772 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.357 HA :: 4.083 HB2 :: 2.032 HB3 :: 2.100 HG2 :: 2.367 HG3 :: 2.367 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 :: 120.121 Ave N Shift Values>> N :: 120.68(3.68) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 179.331 CA :: 63.558 CB :: 36.988 CG1 :: 28.818 CG2 :: 18.171 CD1 :: 11.950 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 :: 7.650 HA :: 4.005 HB :: 2.258 HG12 :: 1.480 HG13 :: 1.638 HG21 :: 1.032 HG22 :: 1.032 HG23 :: 1.032 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 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 :: 119.061 Ave N Shift Values>> N :: 121.6(4.72) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.874 CA :: 66.847 CB :: 31.486 CG1 :: 21.939 CG2 :: 22.290 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 :: 6.973 HA :: 3.651 HB :: 2.328 HG11 :: 0.993 HG12 :: 0.993 HG13 :: 0.993 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 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 :: 121.206 Ave N Shift Values>> N :: 121.02(4.96) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.23 G 0.14 K 0.09 C Shift Assignments>> C :: 179.282 CA :: 61.095 CB :: 30.261 CG :: 30.088 CD :: 43.161 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 :: 8.508 HA :: 3.928 HB2 :: 2.040 HB3 :: 1.947 HG2 :: 1.523 HD2 :: 3.334 HD3 :: 3.273 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 :: 118.801 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.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.R64 1.R64 C Shift Assignments>> C :: 175.518 CA :: 66.879 CB :: 68.826 CG2 :: 22.007 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 :: 8.528 HA :: 4.013 HB :: 4.417 HG21 :: 1.323 HG22 :: 1.323 HG23 :: 1.323 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.805 Ave N Shift Values>> N :: 115.7(5.05) 1.W59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.7 C 0.29 C Shift Assignments>> C :: 179.015 CA :: 63.377 CB :: 28.280 CD1 :: 127.823 CE3 :: 120.147 CZ2 :: 114.157 CZ3 :: 120.975 CH2 :: 122.983 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 :: 7.904 HA :: 4.228 HB2 :: 3.419 HB3 :: 3.786 HD1 :: 7.361 HE1 :: 9.649 HE3 :: 7.459 HZ2 :: 7.062 HZ3 :: 7.011 HH2 :: 6.537 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 124.326 NE1 :: 129.490 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I60 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>> C :: 178.481 CA :: 65.878 CB :: 39.399 CG1 :: 29.813 CG2 :: 16.979 CD1 :: 15.577 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 :: 8.799 HA :: 3.461 HB :: 2.041 HG12 :: 1.381 HG13 :: 2.517 HG21 :: 0.818 HG22 :: 0.818 HG23 :: 0.818 HD11 :: 1.044 HD12 :: 1.044 HD13 :: 1.044 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 :: 119.831 Ave N Shift Values>> N :: 121.6(4.72) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.23 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 176.878 CA :: 47.388 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.659 HA2 :: 3.705 HA3 :: 4.118 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.205 Ave N Shift Values>> N :: 109.91(4.29) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.18 N 0.17 F 0.12 E 0.1 D 0.07 I 0.02 M 0.02 L 0.02 C Shift Assignments>> C :: 177.461 CA :: 55.480 CB :: 37.951 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 :: 8.408 HA :: 4.452 HB2 :: 2.823 HB3 :: 2.655 HD21 :: 7.657 HD22 :: 7.021 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 :: 120.644 ND2 :: 112.894 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R63 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.43 C 0.36 G 0.08 K 0.07 L 0.04 C Shift Assignments>> C :: 178.189 CA :: 59.219 CB :: 29.077 CG :: 27.325 CD :: 43.323 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 :: 7.816 HA :: 3.544 HB2 :: 0.481(S) HB3 :: 0.889 HG2 :: 0.126(S) HG3 :: 0.475(S) HD2 :: 1.513(S) HD3 :: 0.733(A) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.207 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB3 : 0.9958) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.38 K 0.11 G 0.1 HN Overlap>> 1.T58 1.T58 C Shift Assignments>> C :: 179.039 CA :: 60.190 CB :: 30.579 CG :: 28.548 CD :: 43.356 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 :: 8.578 HA :: 4.057 HB2 :: 2.111 HB3 :: 2.046 HG2 :: 1.838 HG3 :: 2.116 HD2 :: 3.179 HD3 :: 3.720 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 :: 117.839 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.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.09 K 0.08 C Shift Assignments>> C :: 178.214 CA :: 59.556 CB :: 30.167 CG :: 28.024 CD :: 43.433 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 :: 7.712 HA :: 4.091 HB2 :: 1.948 HB3 :: 1.946 HG2 :: 1.813 HG3 :: 1.614 HD2 :: 3.270 HD3 :: 3.270 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 :: 118.827 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.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.02 C Shift Assignments>> C :: 178.481 CA :: 59.110 CB :: 32.226 CG :: 24.850 CD :: 29.285 CE :: 42.080 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 :: 7.848 HA :: 3.997 HB2 :: 1.813 HB3 :: 1.813 HG2 :: 1.209 HG3 :: 1.401 HD2 :: 1.559 HD3 :: 1.515 HE2 :: 2.858 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 :: 120.251 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 177.412 CA :: 60.576 CB :: 37.043 CD1 :: 132.408 CD2 :: 132.408 CE1 :: 117.857 CE2 :: 117.857 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 :: 8.324 HA :: 4.274 HB2 :: 3.073 HB3 :: 3.245 HD1 :: 7.122 HD2 :: 7.122 HE1 :: 6.656 HE2 :: 6.656 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 :: 118.725 Ave N Shift Values>> N :: 120.79(4.69) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 G 0.09 K 0.06 L 0.03 C Shift Assignments>> C :: 179.209 CA :: 58.616 CB :: 29.343 CG :: 27.282 CD :: 43.439 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 :: 8.084 HA :: 4.218 HB2 :: 2.023 HB3 :: 2.023 HG2 :: 1.741 HG3 :: 1.686 HD2 :: 3.285 HD3 :: 3.285 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 :: 119.763 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.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.33 R 0.09 HN Overlap>> 1.F15 1.F15 C Shift Assignments>> C :: 178.457 CA :: 56.981 CB :: 41.955 CG :: 27.204 CD1 :: 25.305 CD2 :: 23.319 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 :: 8.168 HA :: 4.244 HB2 :: 1.841 HB3 :: 1.653 HG :: 1.776 HD11 :: 0.952 HD12 :: 0.952 HD13 :: 0.952 HD21 :: 0.913 HD22 :: 0.913 HD23 :: 0.913 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 :: 120.874 Ave N Shift Values>> N :: 121.98(4.07) 1.M70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.43 A 0.09 C Shift Assignments>> C :: 176.417 CA :: 55.958 CB :: 33.711 CG :: 32.029 CE :: 16.710 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.942 HA :: 4.440 HB2 :: 2.080 HB3 :: 2.214 HG2 :: 2.565 HG3 :: 2.705 HE1 :: 1.998 HE2 :: 1.998 HE3 :: 1.998 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.335 Ave N Shift Values>> N :: 120.1(3.88) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.255 CA :: 45.852 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.107 HA2 :: 3.906 HA3 :: 4.055 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.096 Ave N Shift Values>> N :: 109.91(4.29) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.712 CA :: 60.626 CB :: 39.203 CG1 :: 27.054 CG2 :: 17.559 CD1 :: 12.907 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 :: 8.036 HA :: 4.197 HB :: 1.687 HG12 :: 1.017 HG13 :: 1.355 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 HD11 :: 0.687 HD12 :: 0.687 HD13 :: 0.687 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 :: 120.615 Ave N Shift Values>> N :: 121.6(4.72) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 M 0.09 K 0.08 Q 0.04 I 0.04 C Shift Assignments>> C :: 176.417 CA :: 56.551 CB :: 30.167 CG :: 36.267 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 :: 8.523 HA :: 4.306 HB2 :: 2.023 HB3 :: 1.943 HG2 :: 2.236 HG3 :: 2.288 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 :: 125.837 Ave N Shift Values>> N :: 120.68(3.68) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.052 CA :: 62.103 CB :: 33.063 CG1 :: 21.097 CG2 :: 21.855 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 :: 8.319 HA :: 4.187 HB :: 2.067 HG11 :: 1.025 HG12 :: 1.025 HG13 :: 1.025 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 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 :: 122.642 Ave N Shift Values>> N :: 121.02(4.96) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.547 CA :: 58.413 CB :: 64.015 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.460 HA :: 4.469 HB2 :: 3.852 HB3 :: 3.852 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.411 Ave N Shift Values>> N :: 116.3(3.95) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.19 R 0.15 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.729 CA :: 44.566 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.307 HA2 :: 4.096 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.975 Ave N Shift Values>> N :: 109.91(4.29) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 63.054 CB :: 32.299 CG :: 27.261 CD :: 49.689 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 :: 4.508 HB2 :: 1.980 HB3 :: 2.300 HG2 :: 2.016 HG3 :: 2.016 HD2 :: 3.610 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.S78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.939 CA :: 58.427 CB :: 64.293 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.507 HB2 :: 3.901 HB3 :: 3.901 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 179.039 CA :: 46.295 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.054 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.746 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 76 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 73 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 1 C Shift Results: #Consistent: 319 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 486 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 1 N Shift Results: #Consistent: 75 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L23 HB2 = -0.814(S), Expected = 1.63, Std = 0.3400, ChiSquare = 6.5634e-13 1.L23 HD11 = -1.150(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.1511e-12 1.L23 HD12 = -1.150(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.1511e-12 1.L23 HD13 = -1.150(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.1511e-12 1.T32 HG21 = -0.286(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.4136e-07 1.T32 HG22 = -0.286(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.4136e-07 1.T32 HG23 = -0.286(S), Expected = 1.16, Std = 0.2800, ChiSquare = 2.4136e-07 1.V45 HB = 0.440(S), Expected = 1.99, Std = 0.3300, ChiSquare = 2.6405e-06 1.R63 HB2 = 0.481(S), Expected = 1.79, Std = 0.2800, ChiSquare = 2.9395e-06 1.R63 HG2 = 0.126(S), Expected = 1.58, Std = 0.2700, ChiSquare = 7.2370e-08 1.R63 HG3 = 0.475(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.2658e-05 1.R63 HD2 = 1.513(S), Expected = 3.13, Std = 0.2300, ChiSquare = 2.0589e-12 1.R63 HD3 = 0.733(A), Expected = 3.13, Std = 0.2200, ChiSquare = 1.2116e-27 1.R63 SRO Rule Break>> HD3 > HB3 : 0.995794785534062