Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.38 A 0.15 C Shift Assignments>> C :: 175.631 CA :: 55.501 CB :: 33.171 CG :: 31.912 CE :: 17.235 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 :: 8.372 HA :: 4.435 HB2 :: 1.978 HB3 :: 2.035 HG2 :: 2.508 HG3 :: 2.508 HE1 :: 2.053 HE2 :: 2.053 HE3 :: 2.053 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.398 Ave N Shift Values>> N :: 120.1(3.88) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.16 M 0.03 G 0.01 C Shift Assignments>> C :: 176.146 CA :: 56.328 CB :: 33.204 CG :: 24.730 CD :: 29.168 CE :: 42.143 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 :: 8.480 HA :: 4.315 HB2 :: 1.816 HB3 :: 1.753 HG2 :: 1.403 HG3 :: 1.444 HD2 :: 1.687 HD3 :: 1.687 HE2 :: 2.990 HE3 :: 2.990 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.808 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.576 CB :: 64.164 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.365 HA :: 4.667 HB2 :: 3.930 HB3 :: 3.671 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.904 Ave N Shift Values>> N :: 116.3(3.95) 1.T4 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 :: 174.191 CA :: 62.943 CB :: 69.891 CG2 :: 22.162 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.732 HA :: 4.407 HB :: 4.652 HG21 :: 1.307 HG22 :: 1.307 HG23 :: 1.307 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 127.237 Ave N Shift Values>> N :: 115.7(5.05) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.34 C 0.15 HN Overlap>> 1.Y95 1.Y95 C Shift Assignments>> CA :: 62.802 CB :: 40.824 CD1 :: 131.305 CZ :: 128.917 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 :: 8.817 HA :: 4.237 HB2 :: 3.007 HB3 :: 3.122 HD1 :: 7.324 HD2 :: 7.324 HZ :: 6.525 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 :: 120.694 Ave N Shift Values>> N :: 120.69(4.18) 1.K6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 R 0.34 K 0.15 M 0.01 C Shift Assignments>> CA :: 59.830 CB :: 33.597 CG :: 27.001 CD :: 30.799 CE :: 41.763 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 :: 8.339 HA :: 3.957 HB2 :: 1.734 HB3 :: 1.784 HG2 :: 1.289 HG3 :: 1.774 HD2 :: 1.432 HD3 :: 1.540 HE2 :: 2.060(S) HE3 :: 2.614 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.058 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.642 CA :: 60.101 CB :: 63.653 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.609 HA :: 4.278 HB2 :: 3.868 HB3 :: 3.982 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.673 Ave N Shift Values>> N :: 116.3(3.95) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 M 0.13 I 0.06 K 0.03 Q 0.02 C Shift Assignments>> C :: 178.947 CA :: 57.935 CB :: 31.185 CG :: 36.287 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 :: 7.857 HA :: 3.860 HB2 :: 1.405 HB3 :: 1.789 HG2 :: 1.700 HG3 :: 2.084 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.931 Ave N Shift Values>> N :: 120.68(3.68) 1.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> CA :: 54.127 CB :: 40.804 CD1 :: 133.639 CE1 :: 118.373 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.219 HA :: 4.987 HB2 :: 2.102 HB3 :: 2.524 HD1 :: 6.656 HD2 :: 6.656 HE1 :: 6.725 HE2 :: 6.725 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 :: 115.971 Ave N Shift Values>> N :: 120.79(4.69) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 177.272 CA :: 62.211 CB :: 33.078 CG :: 27.693 CD :: 51.212 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 :: 4.717 HB2 :: 2.152 HB3 :: 2.602 HG2 :: 2.212 HG3 :: 2.212 HD2 :: 3.677 HD3 :: 4.004 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.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.37 C 0.17 C Shift Assignments>> CA :: 63.215 CB :: 39.955 CD1 :: 132.336 CE1 :: 130.976 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.356 HA :: 3.883 HB2 :: 3.028 HB3 :: 3.461 HD1 :: 7.347 HD2 :: 7.347 HE1 :: 7.237 HE2 :: 7.237 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.132 Ave N Shift Values>> N :: 120.69(4.18) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.33 E 0.24 K 0.04 C Shift Assignments>> CA :: 60.136 CB :: 28.677 CG :: 36.696 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 :: 9.745 HA :: 3.851 HB2 :: 2.123 HB3 :: 2.123 HG2 :: 2.494 HG3 :: 2.494 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 :: 115.384 Ave N Shift Values>> N :: 120.68(3.68) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.21 M 0.01 HN Overlap>> 1.I64 1.I64 C Shift Assignments>> CA :: 58.108 CB :: 32.588 CG :: 25.427 CD :: 29.053 CE :: 42.148 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 :: 7.187 HA :: 4.243 HB2 :: 1.987 HB3 :: 1.987 HG2 :: 1.512 HG3 :: 1.627 HD2 :: 1.751 HD3 :: 1.751 HE2 :: 3.012 HE3 :: 3.012 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 :: 118.364 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.19 V 0.17 F 0.07 C 0.07 Y 0.05 S 0.05 P 0.05 E 0.02 R 0.02 K 0.01 H 0.01 HN Overlap>> 1.K74 1.K74 C Shift Assignments>> C :: 177.034 CA :: 61.210 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 :: 7.753 HA :: 4.012 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 :: 121.856 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.K15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 K 0.36 R 0.21 M 0.04 G 0.01 C Shift Assignments>> C :: 177.799 CA :: 57.538 CB :: 32.511 CG :: 24.399 CD :: 29.392 CE :: 42.543 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 :: 8.606 HA :: 4.427 HB2 :: 0.937(S) HB3 :: 1.531 HG2 :: 1.327 HG3 :: 1.327 HD2 :: 1.623 HD3 :: 1.707 HE2 :: 3.024 HE3 :: 3.077 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.111 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.44 C 0.02 I 0.02 C Shift Assignments>> C :: 180.663 CA :: 54.681 CB :: 18.172 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.296 HA :: 4.154 HB1 :: 1.510 HB2 :: 1.510 HB3 :: 1.510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.818 Ave N Shift Values>> N :: 123.23(3.7) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.3 I 0.14 K 0.12 Q 0.06 M 0.01 C Shift Assignments>> C :: 178.676 CA :: 58.938 CB :: 28.954 CG :: 35.841 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 :: 7.905 HA :: 4.361 HB2 :: 2.247 HB3 :: 2.376 HG2 :: 2.412 HG3 :: 2.412 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 :: 119.458 Ave N Shift Values>> N :: 120.68(3.68) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 C Shift Assignments>> C :: 178.114 CA :: 62.003 CB :: 59.876 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.775 HA :: 3.531 HB2 :: 3.020 HB3 :: 3.293 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.238 Ave N Shift Values>> N :: 116.3(3.95) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.3 E 0.29 K 0.03 M 0.01 C Shift Assignments>> C :: 178.886 CA :: 59.693 CB :: 29.381 CG :: 37.002 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 :: 8.121 HA :: 4.000 HB2 :: 1.987 HB3 :: 2.198 HG2 :: 2.206 HG3 :: 2.558 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 :: 124.518 Ave N Shift Values>> N :: 120.68(3.68) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.08 K 0.07 C Shift Assignments>> C :: 179.439 CA :: 59.335 CB :: 30.246 CG :: 27.529 CD :: 43.407 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 :: 7.856 HA :: 4.140 HB2 :: 2.040 HB3 :: 2.040 HG2 :: 1.563 HG3 :: 1.786 HD2 :: 3.191 HD3 :: 3.325 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 :: 121.153 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.I21 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 :: 176.904 CA :: 65.474 CB :: 38.325 CG1 :: 29.620 CG2 :: 17.767 CD1 :: 14.351 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 :: 8.249 HA :: 3.688 HB :: 1.770 HG12 :: 1.093 HG13 :: 1.887 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 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 :: 120.442 Ave N Shift Values>> N :: 121.6(4.72) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.46 C 0.02 I 0.02 HN Overlap>> 1.F115 1.F115 C Shift Assignments>> C :: 179.227 CA :: 54.486 CB :: 18.033 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.936 HA :: 4.080 HB1 :: 1.458 HB2 :: 1.458 HB3 :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.490 Ave N Shift Values>> N :: 123.23(3.7) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.15 D 0.11 C 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> C :: 177.375 CA :: 56.263 CB :: 42.162 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 :: 7.410 HA :: 4.397 HB2 :: 2.664 HB3 :: 2.724 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.936 Ave N Shift Values>> N :: 120.73(4.2) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 K 0.17 G 0.04 C Shift Assignments>> C :: 176.308 CA :: 57.146 CB :: 31.615 CG :: 26.912 CD :: 43.032 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 :: 7.800 HA :: 3.920 HB2 :: 1.155 HB3 :: 1.459 HG2 :: 1.165 HG3 :: 1.263 HD2 :: 2.952 HD3 :: 2.989 HE :: 7.421 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 :: 116.629 NE :: 117.576 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.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 C 0.29 F 0.21 C Shift Assignments>> CA :: 54.404 CB :: 39.033 CD1 :: 131.992 CE1 :: 132.649 CZ :: 129.516 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 :: 8.649 HA :: 5.122 HB2 :: 2.761 HB3 :: 2.976 HD1 :: 7.257 HD2 :: 7.257 HE1 :: 7.259 HE2 :: 7.259 HZ :: 7.174 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 :: 116.955 Ave N Shift Values>> N :: 120.69(4.18) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.1 C Shift Assignments>> C :: 177.541 CA :: 64.369 CB :: 31.976 CG :: 27.309 CD :: 50.210 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 :: 4.506 HB2 :: 1.918 HB3 :: 2.419 HG2 :: 1.904 HG3 :: 2.002 HD2 :: 3.270 HD3 :: 3.611 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.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.3 C 0.22 C Shift Assignments>> C :: 174.829 CA :: 53.065 CB :: 38.403 CG :: 178.025 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 :: 8.547 HA :: 4.755 HB2 :: 2.984 HB3 :: 2.984 HD21 :: 7.003 HD22 :: 7.625 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.843 ND2 :: 113.391 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.29 K 0.27 G 0.06 C Shift Assignments>> C :: 174.323 CA :: 53.346 CB :: 33.061 CG :: 27.629 CD :: 42.850 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 :: 7.640 HA :: 4.852 HB2 :: 1.031 HB3 :: 1.644 HG2 :: 1.437 HG3 :: 1.437 HD2 :: 2.551 HD3 :: 2.812 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 :: 117.556 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.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.28 A 0.2 HN Overlap>> 1.M91 1.M91 C Shift Assignments>> CA :: 55.709 CB :: 38.889 CG1 :: 26.698 CG2 :: 16.984 CD1 :: 11.908 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 :: 9.295 HA :: 4.123 HB :: 1.471 HG12 :: 0.942 HG13 :: 0.942 HG21 :: 0.254 HG22 :: 0.254 HG23 :: 0.254 HD11 :: 0.359 HD12 :: 0.359 HD13 :: 0.359 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 :: 121.690 Ave N Shift Values>> N :: 121.6(4.72) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 174.238 CA :: 61.671 CB :: 30.980 CG :: 26.717 CD :: 50.252 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 :: 4.881 HB2 :: 1.504 HB3 :: 1.916 HG2 :: 1.688 HG3 :: 2.438 HD2 :: 3.248 HD3 :: 3.472 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.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 C Shift Assignments>> C :: 174.349 CA :: 60.514 CB :: 35.719 CG1 :: 22.846 CG2 :: 22.168 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 :: 8.982 HA :: 5.001 HB :: 1.849 HG11 :: 0.569 HG12 :: 0.569 HG13 :: 0.569 HG21 :: 0.671 HG22 :: 0.671 HG23 :: 0.671 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.862 Ave N Shift Values>> N :: 121.02(4.96) 1.I32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.85 A 0.13 C Shift Assignments>> C :: 174.932 CA :: 56.488 CB :: 35.995 CG1 :: 25.211 CG2 :: 16.898 CD1 :: 7.593 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 :: 8.817 HA :: 4.830 HB :: 1.376 HG12 :: -0.105(S) HG13 :: 0.468 HG21 :: 0.550 HG22 :: 0.550 HG23 :: 0.550 HD11 :: -0.861(S) HD12 :: -0.861(S) HD13 :: -0.861(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.606 Ave N Shift Values>> N :: 121.6(4.72) 1.C33 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.17 Q 0.17 H 0.15 E 0.14 C 0.13 R 0.11 I 0.03 M 0.03 L 0.02 C Shift Assignments>> C :: 173.348 CA :: 57.057 CB :: 28.995 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.587 HA :: 5.526 HB2 :: 2.384 HB3 :: 3.093 HG :: 1.299(A) 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 :: 128.871 Ave N Shift Values>> N :: 119.95(4.79) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 M 0.01 E 0.01 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 174.200 CA :: 54.280 CB :: 35.116 CG :: 38.412 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 :: 8.526 HA :: 4.969 HB2 :: 2.073 HB3 :: 2.302 HG2 :: 2.353 HG3 :: 2.353 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 :: 124.399 Ave N Shift Values>> N :: 120.68(3.68) 1.K35 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.27 R 0.19 M 0.1 G 0.01 A 0.01 C Shift Assignments>> C :: 177.424 CA :: 56.368 CB :: 32.799 CG :: 22.796 CD :: 29.414 CE :: 42.364 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 :: 8.985 HA :: 3.097 HB2 :: 1.546 HB3 :: 1.641 HG2 :: 0.917 HG3 :: 1.512 HD2 :: 1.607 HD3 :: 1.607 HE2 :: 3.106 HE3 :: 3.106 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.692 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.02 C Shift Assignments>> C :: 178.296 CA :: 52.684 CB :: 18.723 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.538 HA :: 4.149 HB1 :: 1.319 HB2 :: 1.319 HB3 :: 1.319 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.417 Ave N Shift Values>> N :: 123.23(3.7) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.13 K 0.06 M 0.05 Q 0.04 HN Overlap>> 1.R47 1.R47 C Shift Assignments>> C :: 177.485 CA :: 59.159 CB :: 30.136 CG :: 36.056 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 :: 8.608 HA :: 3.959 HB2 :: 1.970 HB3 :: 2.072 HG2 :: 2.217 HG3 :: 2.320 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 :: 124.998 Ave N Shift Values>> N :: 120.68(3.68) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.33 R 0.27 M 0.02 C Shift Assignments>> C :: 176.229 CA :: 56.523 CB :: 31.441 CG :: 25.376 CD :: 28.953 CE :: 42.087 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.510 HA :: 4.178 HB2 :: 1.929 HB3 :: 1.734 HG2 :: 1.376 HG3 :: 1.342 HD2 :: 1.581 HD3 :: 1.614 HE2 :: 2.921 HE3 :: 2.921 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.193 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.916 CA :: 57.965 CB :: 65.251 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.345 HA :: 4.521 HB2 :: 3.706 HB3 :: 4.067 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 :: 113.112 Ave N Shift Values>> N :: 116.3(3.95) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.27 C 0.13 L 0.1 F 0.08 Y 0.08 K 0.02 C Shift Assignments>> C :: 175.193 CA :: 53.564 CB :: 39.984 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 :: 8.745 HA :: 4.788 HB2 :: 2.757 HB3 :: 2.757 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 :: 127.329 Ave N Shift Values>> N :: 120.73(4.2) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 C Shift Assignments>> CA :: 59.120 CB :: 40.566 CG1 :: 28.754 CG2 :: 17.987 CD1 :: 14.920 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 :: 7.657 HA :: 4.652 HB :: 1.948 HG12 :: 1.452 HG13 :: 1.725 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 HD11 :: 0.987 HD12 :: 0.987 HD13 :: 0.987 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 :: 123.090 Ave N Shift Values>> N :: 121.6(4.72) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.35 C Shift Assignments>> C :: 175.980 CA :: 63.781 CB :: 32.858 CG :: 28.023 CD :: 51.895 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 :: 4.410 HB2 :: 1.787 HB3 :: 2.477 HG2 :: 1.998 HG3 :: 2.057 HD2 :: 3.391 HD3 :: 3.999 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.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 M 0.18 K 0.03 Q 0.03 I 0.02 C Shift Assignments>> C :: 175.279 CA :: 56.317 CB :: 31.257 CG :: 36.351 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 :: 8.400 HA :: 4.293 HB2 :: 1.939 HB3 :: 2.100 HG2 :: 2.396 HG3 :: 2.396 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 :: 120.452 Ave N Shift Values>> N :: 120.68(3.68) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 174.827 CA :: 60.915 CB :: 40.633 CG1 :: 28.697 CG2 :: 16.780 CD1 :: 15.656 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 :: 8.086 HA :: 4.438 HB :: 1.893 HG12 :: 1.513 HG13 :: 1.436 HG21 :: 1.024 HG22 :: 1.024 HG23 :: 1.024 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 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 :: 123.362 Ave N Shift Values>> N :: 121.6(4.72) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 C 0.14 F 0.14 Y 0.14 N 0.12 L 0.12 K 0.04 I 0.01 C Shift Assignments>> C :: 175.564 CA :: 55.209 CB :: 40.090 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 :: 8.479 HA :: 4.435 HB2 :: 2.789 HB3 :: 2.789 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 :: 123.109 Ave N Shift Values>> N :: 120.73(4.2) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.16 M 0.03 G 0.01 C Shift Assignments>> C :: 174.653 CA :: 56.009 CB :: 34.602 CG :: 24.435 CD :: 29.578 CE :: 42.272 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 :: 7.254 HA :: 4.429 HB2 :: 1.590 HB3 :: 1.590 HG2 :: 0.518 HG3 :: 1.204 HD2 :: 1.277 HD3 :: 1.447 HE2 :: 2.479 HE3 :: 2.594 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 :: 121.726 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 G 0.29 R 0.22 K 0.02 HN Overlap>> 1.E37 1.E37 C Shift Assignments>> C :: 173.919 CA :: 56.056 CB :: 32.919 CG :: 26.548 CD :: 44.540 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 :: 8.558 HA :: 5.106 HB2 :: 1.943 HB3 :: 1.943 HG2 :: 1.700 HG3 :: 1.855 HD2 :: 3.267 HD3 :: 3.444 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 :: 124.949 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.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 M 0.08 R 0.04 C Shift Assignments>> C :: 174.635 CA :: 55.145 CB :: 33.905 CG :: 24.102 CD :: 29.852 CE :: 41.024 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 :: 7.320 HA :: 5.005 HB2 :: 1.252 HB3 :: 1.636 HG2 :: 0.893 HG3 :: 1.148 HD2 :: 1.508 HD3 :: 1.607 HE2 :: 2.761 HE3 :: 2.761 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 :: 121.364 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>> Y 0.57 C 0.39 G 0.03 C Shift Assignments>> C :: 173.693 CA :: 57.171 CB :: 42.407 CD1 :: 132.669 CE1 :: 118.148 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.601 HA :: 4.478 HB2 :: 2.629 HB3 :: 2.798 HD1 :: 7.035 HD2 :: 7.035 HE1 :: 6.588 HE2 :: 6.588 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 :: 125.549 Ave N Shift Values>> N :: 120.79(4.69) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.25 R 0.02 HN Overlap>> 1.E34 1.E34 C Shift Assignments>> C :: 176.651 CA :: 53.409 CB :: 41.161 CG :: 27.399 CD1 :: 24.552 CD2 :: 24.785 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 :: 8.555 HA :: 4.786 HB2 :: 0.825 HB3 :: 1.590 HG :: 1.303 HD11 :: 0.420 HD12 :: 0.420 HD13 :: 0.420 HD21 :: 0.497 HD22 :: 0.497 HD23 :: 0.497 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.437 Ave N Shift Values>> N :: 121.98(4.07) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 HN Overlap>> 1.F60 1.F60 C Shift Assignments>> CA :: 59.702 CB :: 33.655 CG1 :: 21.735 CG2 :: 22.125 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 :: 8.691 HA :: 4.572 HB :: 1.962 HG11 :: 0.930 HG12 :: 0.930 HG13 :: 0.930 HG21 :: 0.676 HG22 :: 0.676 HG23 :: 0.676 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 :: 124.106 Ave N Shift Values>> N :: 121.02(4.96) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.739 CA :: 63.941 CB :: 32.412 CG :: 28.292 CD :: 51.340 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 :: 4.442 HB2 :: 2.031 HB3 :: 2.509 HG2 :: 1.893 HG3 :: 2.014 HD2 :: 3.598 HD3 :: 4.117 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.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.44 C 0.03 I 0.01 C Shift Assignments>> C :: 176.427 CA :: 54.601 CB :: 18.894 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.994 HA :: 3.786 HB1 :: 1.318 HB2 :: 1.318 HB3 :: 1.318 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.453 Ave N Shift Values>> N :: 123.23(3.7) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.29 C 0.12 L 0.08 F 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 175.969 CA :: 52.737 CB :: 39.926 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.167 HA :: 4.627 HB2 :: 2.875 HB3 :: 2.605 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 111.443 Ave N Shift Values>> N :: 120.73(4.2) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.27 R 0.11 G 0.09 C Shift Assignments>> C :: 177.799 CA :: 55.684 CB :: 43.432 CG :: 27.133 CD1 :: 24.941 CD2 :: 25.278 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 :: 7.378 HA :: 4.418 HB2 :: 1.564 HB3 :: 1.691 HG :: 2.087 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 0.963 HD22 :: 0.963 HD23 :: 0.963 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 :: 121.118 Ave N Shift Values>> N :: 121.98(4.07) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 176.534 CA :: 60.308 CB :: 71.303 CG2 :: 22.256 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 :: 8.470 HA :: 5.215 HB :: 4.798 HG1 :: 5.633 HG21 :: 1.220 HG22 :: 1.220 HG23 :: 1.220 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 :: 114.331 Ave N Shift Values>> N :: 115.7(5.05) 1.V57 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>> C :: 178.775 CA :: 66.819 CB :: 31.718 CG1 :: 21.443 CG2 :: 24.083 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 :: 8.850 HA :: 3.733 HB :: 2.325 HG11 :: 0.822 HG12 :: 0.822 HG13 :: 0.822 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 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 :: 122.551 Ave N Shift Values>> N :: 121.02(4.96) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.940 CA :: 47.258 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.383 HA2 :: 3.915 HA3 :: 3.716 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.431 Ave N Shift Values>> N :: 109.91(4.29) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.33 Q 0.26 HN Overlap>> 1.K99 1.K99 C Shift Assignments>> C :: 179.312 CA :: 58.604 CB :: 29.020 CG :: 35.094 CD :: 180.278 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 :: 8.030 HA :: 4.147 HB2 :: 2.074 HB3 :: 2.484 HG2 :: 2.445 HG3 :: 2.445 HE21 :: 6.835 HE22 :: 7.522 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 :: 120.982 NE2 :: 111.373 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.3 C 0.22 HN Overlap>> 1.V51 1.V51 C Shift Assignments>> C :: 176.735 CA :: 61.096 CB :: 38.886 CD1 :: 130.951 CE1 :: 130.329 CZ :: 128.976 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 :: 8.690 HA :: 4.268 HB2 :: 3.357 HB3 :: 3.068 HD1 :: 6.911 HD2 :: 6.911 HE1 :: 6.717 HE2 :: 6.717 HZ :: 6.285 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 :: 124.056 Ave N Shift Values>> N :: 120.69(4.18) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.R65 1.R65 C Shift Assignments>> C :: 177.151 CA :: 67.195 CB :: 30.856 CG1 :: 22.144 CG2 :: 23.874 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 :: 8.599 HA :: 3.019 HB :: 2.159 HG11 :: 0.687 HG12 :: 0.687 HG13 :: 0.687 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 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 :: 119.377 Ave N Shift Values>> N :: 121.02(4.96) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 177.438 CA :: 61.646 CB :: 37.798 CD1 :: 133.011 CD2 :: 133.011 CE1 :: 118.167 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.183 HA :: 4.016 HB2 :: 3.173 HB3 :: 3.080 HD1 :: 7.182 HD2 :: 7.182 HE1 :: 6.806 HE2 :: 6.806 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 :: 117.678 Ave N Shift Values>> N :: 120.79(4.69) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.887 CA :: 66.600 CB :: 31.070 CG1 :: 20.953 CG2 :: 22.401 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 :: 7.345 HA :: 3.410 HB :: 2.217 HG11 :: 0.811 HG12 :: 0.811 HG13 :: 0.811 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 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 :: 119.955 Ave N Shift Values>> N :: 121.02(4.96) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> C :: 177.793 CA :: 63.827 CB :: 36.445 CG1 :: 26.283 CG2 :: 16.929 CD1 :: 12.093 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 :: 7.213 HA :: 3.316 HB :: 1.432 HG12 :: 0.362 HG13 :: 0.549 HG21 :: -0.048 HG22 :: -0.048 HG23 :: -0.048 HD11 :: -0.036 HD12 :: -0.036 HD13 :: -0.036 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.255 Ave N Shift Values>> N :: 121.6(4.72) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.38 K 0.1 G 0.09 HN Overlap>> 1.V61 1.V61 C Shift Assignments>> C :: 178.398 CA :: 60.179 CB :: 30.206 CG :: 28.517 CD :: 43.286 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 :: 8.534 HA :: 3.382 HB2 :: 1.708 HB3 :: 1.750 HG2 :: 1.327 HG3 :: 1.549 HD2 :: 3.030 HD3 :: 3.030 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 :: 119.285 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 0.38 C 0.35 R 0.22 M 0.02 C Shift Assignments>> C :: 178.760 CA :: 58.226 CB :: 32.013 CG :: 24.715 CD :: 28.880 CE :: 41.993 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 :: 7.613 HA :: 3.986 HB2 :: 1.715 HB3 :: 1.754 HG2 :: 1.277 HG3 :: 1.356 HD2 :: 1.584 HD3 :: 1.584 HE2 :: 2.850 HE3 :: 2.850 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.929 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.11 G 0.04 L 0.01 C Shift Assignments>> C :: 177.980 CA :: 57.920 CB :: 30.173 CG :: 27.038 CD :: 42.965 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 :: 7.656 HA :: 4.152 HB2 :: 1.917 HB3 :: 2.061 HG2 :: 1.759 HG3 :: 1.886 HD2 :: 3.271 HD3 :: 3.271 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 :: 118.540 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.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 174.563 CA :: 61.469 CB :: 38.885 CG1 :: 26.334 CG2 :: 17.778 CD1 :: 14.632 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 :: 7.692 HA :: 4.226 HB :: 1.811 HG12 :: 1.123 HG13 :: 1.283 HG21 :: 0.761 HG22 :: 0.761 HG23 :: 0.761 HD11 :: 0.524 HD12 :: 0.524 HD13 :: 0.524 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 112.428 Ave N Shift Values>> N :: 121.6(4.72) 1.M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.36 A 0.14 C Shift Assignments>> C :: 175.425 CA :: 55.719 CB :: 29.357 CG :: 32.323 CE :: 16.898 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 :: 7.846 HA :: 4.014 HB2 :: 2.095 HB3 :: 2.209 HG2 :: 2.470 HG3 :: 2.470 HE1 :: 2.081 HE2 :: 2.081 HE3 :: 2.081 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 :: 118.612 Ave N Shift Values>> N :: 120.1(3.88) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 G 0.33 C 0.16 R 0.03 C Shift Assignments>> CA :: 52.505 CB :: 44.094 CG :: 26.522 CD1 :: 25.378 CD2 :: 25.941 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 :: 7.445 HA :: 4.629 HB2 :: 1.570 HB3 :: 1.230 HG :: 1.588 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.023 Ave N Shift Values>> N :: 121.98(4.07) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> CA :: 62.090 CB :: 31.309 CG :: 27.724 CD :: 51.321 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 :: 4.680 HB2 :: 2.028 HB3 :: 2.487 HG2 :: 2.028 HG3 :: 2.110 HD2 :: 3.505 HD3 :: 4.102 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.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.036 CA :: 64.948 CB :: 32.032 CG :: 27.540 CD :: 50.701 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 :: 4.105 HB2 :: 1.941 HB3 :: 2.322 HG2 :: 2.052 HG3 :: 2.098 HD2 :: 3.785 HD3 :: 3.785 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.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.31 I 0.13 K 0.12 Q 0.05 C Shift Assignments>> C :: 176.433 CA :: 57.740 CB :: 28.331 CG :: 36.212 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 :: 9.051 HA :: 4.163 HB2 :: 2.030 HB3 :: 2.073 HG2 :: 2.207 HG3 :: 2.306 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 :: 115.155 Ave N Shift Values>> N :: 120.68(3.68) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.32 R 0.2 M 0.02 G 0.01 HN Overlap>> 1.R14 1.R14 C Shift Assignments>> C :: 174.809 CA :: 54.751 CB :: 32.744 CG :: 25.239 CD :: 28.815 CE :: 42.273 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 :: 7.786 HA :: 4.507 HB2 :: 1.762 HB3 :: 1.916 HG2 :: 1.401 HG3 :: 1.454 HD2 :: 1.730 HD3 :: 1.730 HE2 :: 3.049 HE3 :: 3.049 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 :: 121.775 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.18 L 0.07 C 0.06 C Shift Assignments>> C :: 175.775 CA :: 52.307 CB :: 20.863 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.416 HA :: 4.033 HB1 :: 1.207 HB2 :: 1.207 HB3 :: 1.207 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.167 Ave N Shift Values>> N :: 123.23(3.7) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.E97 1.E97 C Shift Assignments>> C :: 172.523 CA :: 59.915 CB :: 41.230 CG1 :: 27.822 CG2 :: 16.770 CD1 :: 13.914 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 :: 7.162 HA :: 4.539 HB :: 1.383 HG12 :: 1.383 HG13 :: 0.775 HG21 :: 0.617 HG22 :: 0.617 HG23 :: 0.617 HD11 :: 0.516 HD12 :: 0.516 HD13 :: 0.516 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 :: 114.451 Ave N Shift Values>> N :: 121.6(4.72) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.36 C 0.23 G 0.01 C Shift Assignments>> C :: 174.412 CA :: 56.560 CB :: 42.405 CD1 :: 132.218 CE1 :: 131.083 CZ :: 129.529 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 :: 8.935 HA :: 4.533 HB2 :: 2.479 HB3 :: 2.591 HD1 :: 6.964 HD2 :: 6.964 HE1 :: 7.200 HE2 :: 7.200 HZ :: 7.225 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 :: 124.098 Ave N Shift Values>> N :: 120.69(4.18) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.44 A 0.02 C Shift Assignments>> C :: 173.290 CA :: 58.109 CB :: 39.361 CG1 :: 26.753 CG2 :: 17.347 CD1 :: 12.871 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 :: 8.005 HA :: 5.197 HB :: 1.795 HG12 :: 1.341 HG13 :: 1.151 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.560 Ave N Shift Values>> N :: 121.6(4.72) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.33 C 0.23 G 0.03 C Shift Assignments>> C :: 176.270 CA :: 55.927 CB :: 42.725 CD1 :: 131.861 CE1 :: 131.195 CZ :: 129.281 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.182 HA :: 5.334 HB2 :: 2.925 HB3 :: 2.925 HD1 :: 6.933 HD2 :: 6.933 HE1 :: 7.178 HE2 :: 7.178 HZ :: 7.038 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 :: 120.940 Ave N Shift Values>> N :: 120.69(4.18) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.737 CA :: 60.484 CB :: 34.243 CG1 :: 21.407 CG2 :: 20.673 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 :: 8.818 HA :: 4.502 HB :: 1.566 HG11 :: 0.658 HG12 :: 0.658 HG13 :: 0.658 HG21 :: 0.726 HG22 :: 0.726 HG23 :: 0.726 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 :: 118.049 Ave N Shift Values>> N :: 121.02(4.96) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 N 0.32 D 0.16 E 0.05 C Shift Assignments>> C :: 174.053 CA :: 55.238 CB :: 37.442 CG :: 177.933 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 :: 9.683 HA :: 4.329 HB2 :: 2.786 HB3 :: 3.034 HD21 :: 7.130 HD22 :: 8.747 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 :: 127.644 ND2 :: 116.023 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 Y 0.17 C 0.17 F 0.17 N 0.13 L 0.08 I 0.02 K 0.01 E 0.01 C Shift Assignments>> C :: 174.572 CA :: 55.586 CB :: 39.556 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.778 HA :: 4.146 HB2 :: 2.689 HB3 :: 2.820 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 :: 112.822 Ave N Shift Values>> N :: 120.73(4.2) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 172.186 CA :: 60.849 CB :: 72.216 CG2 :: 21.275 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 :: 8.071 HA :: 4.704 HB :: 4.121 HG21 :: 1.208 HG22 :: 1.208 HG23 :: 1.208 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 :: 112.609 Ave N Shift Values>> N :: 115.7(5.05) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.18 G 0.07 R 0.05 C Shift Assignments>> CA :: 51.936 CB :: 42.733 CG :: 27.093 CD1 :: 25.368 CD2 :: 25.499 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 :: 8.509 HA :: 5.093 HB2 :: 1.672 HB3 :: 1.452 HG :: 1.341 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 HD21 :: 0.607 HD22 :: 0.607 HD23 :: 0.607 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 :: 125.951 Ave N Shift Values>> N :: 121.98(4.07) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.47 C Shift Assignments>> CA :: 60.908 CB :: 30.803 CG :: 26.846 CD :: 50.776 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 :: 4.821 HB2 :: 1.840 HB3 :: 2.199 HG2 :: 1.669 HG3 :: 1.911 HD2 :: 3.945 HD3 :: 4.245 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.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.890 CA :: 62.477 CB :: 31.924 CG :: 27.773 CD :: 50.581 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 :: 4.568 HB2 :: 1.992 HB3 :: 2.467 HG2 :: 2.122 HG3 :: 2.177 HD2 :: 3.526 HD3 :: 3.944 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.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.704 CA :: 65.094 CB :: 68.800 CG2 :: 22.385 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 :: 8.288 HA :: 3.798 HB :: 4.158 HG21 :: 1.321 HG22 :: 1.321 HG23 :: 1.321 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 :: 114.865 Ave N Shift Values>> N :: 115.7(5.05) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.16 C 0.02 C Shift Assignments>> C :: 177.728 CA :: 52.072 CB :: 19.324 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.032 HA :: 4.416 HB1 :: 1.439 HB2 :: 1.439 HB3 :: 1.439 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.678 Ave N Shift Values>> N :: 123.23(3.7) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.02 C Shift Assignments>> C :: 176.577 CA :: 52.417 CB :: 19.274 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.464 HA :: 4.188 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.361 Ave N Shift Values>> N :: 123.23(3.7) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.27 R 0.14 G 0.03 A 0.03 C Shift Assignments>> C :: 179.517 CA :: 54.660 CB :: 42.577 CG :: 27.609 CD1 :: 23.225 CD2 :: 25.385 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 :: 8.492 HA :: 4.463 HB2 :: 1.805 HB3 :: 1.719 HG :: 1.820 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 HD21 :: 0.974 HD22 :: 0.974 HD23 :: 0.974 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.426 Ave N Shift Values>> N :: 121.98(4.07) 1.M91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.33 A 0.02 I 0.01 HN Overlap>> 1.I29 1.I29 C Shift Assignments>> C :: 178.924 CA :: 56.795 CB :: 29.296 CG :: 32.849 CE :: 15.499 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 :: 9.228 HA :: 4.264 HB2 :: 1.488 HB3 :: 2.090 HG2 :: 2.231 HG3 :: 2.321 HE1 :: 1.193 HE2 :: 1.193 HE3 :: 1.193 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.671 Ave N Shift Values>> N :: 120.1(3.88) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.328 CA :: 60.956 CB :: 61.587 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.796 HA :: 3.984 HB2 :: 3.988 HB3 :: 3.988 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 :: 113.060 Ave N Shift Values>> N :: 116.3(3.95) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.44 C 0.03 I 0.02 C Shift Assignments>> C :: 180.789 CA :: 54.840 CB :: 18.625 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.058 HA :: 4.356 HB1 :: 1.660 HB2 :: 1.660 HB3 :: 1.660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.805 Ave N Shift Values>> N :: 123.23(3.7) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 178.324 CA :: 62.699 CB :: 36.362 CG1 :: 26.988 CG2 :: 19.107 CD1 :: 10.890 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 :: 7.897 HA :: 4.050 HB :: 2.173 HG12 :: 1.372 HG13 :: 1.651 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.895 Ave N Shift Values>> N :: 121.6(4.72) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 HN Overlap>> 1.F5 1.F5 C Shift Assignments>> C :: 176.018 CA :: 62.305 CB :: 39.077 CD1 :: 133.474 CE1 :: 118.180 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 :: 8.882 HA :: 4.007 HB2 :: 3.021 HB3 :: 3.166 HD1 :: 7.051 HD2 :: 7.051 HE1 :: 6.881 HE2 :: 6.881 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.702 Ave N Shift Values>> N :: 120.79(4.69) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.41 E 0.13 C Shift Assignments>> C :: 177.284 CA :: 58.720 CB :: 28.291 CG :: 33.512 CD :: 180.139 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 :: 7.765 HA :: 3.783 HB2 :: 2.184 HB3 :: 2.225 HG2 :: 2.580 HG3 :: 2.580 HE21 :: 6.950 HE22 :: 7.583 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 :: 115.082 NE2 :: 112.137 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 E 0.31 M 0.2 Q 0.07 K 0.03 I 0.02 HN Overlap>> 1.I76 1.I76 C Shift Assignments>> C :: 178.152 CA :: 57.820 CB :: 31.541 CG :: 35.582 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 :: 7.147 HA :: 4.090 HB2 :: 1.581 HB3 :: 1.816 HG2 :: 1.537(S) HG3 :: 1.975 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.426 Ave N Shift Values>> N :: 120.68(3.68) 1.H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 H 0.4 C Shift Assignments>> C :: 175.896 CA :: 56.711 CB :: 32.852 CD2 :: 119.832 CE1 :: 138.942 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.263 HA :: 4.826 HB2 :: 2.787 HB3 :: 3.218 HD2 :: 7.043 HE1 :: 7.871 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.349 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.27 K 0.22 M 0.09 G 0.01 HN Overlap>> 1.Q59 1.Q59 C Shift Assignments>> C :: 174.777 CA :: 57.602 CB :: 31.632 CG :: 22.595 CD :: 29.311 CE :: 42.272 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 :: 8.087 HA :: 3.979 HB2 :: 1.200 HB3 :: 1.200 HG2 :: 1.005 HG3 :: 1.005 HD2 :: 0.896 HD3 :: 1.224 HE2 :: 2.760 HE3 :: 2.788 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 :: 120.924 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.31 R 0.22 D 0.12 C 0.11 G 0.09 K 0.05 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 177.694 CA :: 54.030 CB :: 43.444 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 :: 9.008 HA :: 4.765 HB2 :: 3.173 HB3 :: 3.891(S) 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 :: 124.196 Ave N Shift Values>> N :: 120.73(4.2) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.19 G 0.01 M 0.01 C Shift Assignments>> C :: 178.023 CA :: 59.475 CB :: 32.889 CG :: 25.587 CD :: 28.993 CE :: 42.111 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 :: 8.695 HA :: 4.236 HB2 :: 2.045 HB3 :: 2.045 HG2 :: 1.655 HG3 :: 1.705 HD2 :: 1.710 HD3 :: 1.710 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) N Shift Assignments>> N :: 125.993 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.25 N 0.2 C 0.15 Y 0.12 F 0.12 L 0.09 K 0.02 I 0.01 C Shift Assignments>> C :: 176.820 CA :: 54.653 CB :: 39.730 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 :: 10.265(S) HA :: 4.119 HB2 :: 2.609 HB3 :: 2.872 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.342 Ave N Shift Values>> N :: 120.73(4.2) 1.G103 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 :: 174.655 CA :: 45.350 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.175 HA2 :: 3.489 HA3 :: 4.411 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.132 Ave N Shift Values>> N :: 109.91(4.29) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.27 C 0.27 C Shift Assignments>> C :: 174.937 CA :: 59.409 CB :: 39.793 CD1 :: 131.199 CE1 :: 130.687 CZ :: 127.724 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.578 HA :: 4.670 HB2 :: 2.083 HB3 :: 3.473 HD1 :: 7.266 HD2 :: 7.266 HE1 :: 7.207 HE2 :: 7.207 HZ :: 6.933 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 :: 121.797 Ave N Shift Values>> N :: 120.69(4.18) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.31 C 0.17 R 0.02 HN Overlap>> 1.Y109 1.Y109 C Shift Assignments>> C :: 173.967 CA :: 53.454 CB :: 45.062 CG :: 27.305 CD1 :: 26.154 CD2 :: 24.239 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 :: 8.368 HA :: 4.894 HB2 :: 1.451 HB3 :: 2.096 HG :: 1.443 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.926 HD22 :: 0.926 HD23 :: 0.926 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.955 Ave N Shift Values>> N :: 121.98(4.07) 1.Y106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 176.111 CA :: 58.801 CB :: 38.157 CD1 :: 132.735 CE1 :: 118.813 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.141 HA :: 4.993 HB2 :: 3.077 HB3 :: 2.939 HD1 :: 7.291 HD2 :: 7.291 HE1 :: 7.275 HE2 :: 7.275 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 :: 127.800 Ave N Shift Values>> N :: 120.79(4.69) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 C Shift Assignments>> C :: 175.719 CA :: 59.500 CB :: 34.840 CG1 :: 20.895 CG2 :: 22.129 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 :: 9.521 HA :: 5.123 HB :: 2.241 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 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 :: 121.440 Ave N Shift Values>> N :: 121.02(4.96) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.3 C Shift Assignments>> C :: 174.145 CA :: 59.981 CB :: 72.219 CG2 :: 22.203 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.041 HA :: 6.115 HB :: 4.031 HG21 :: 1.214 HG22 :: 1.214 HG23 :: 1.214 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 :: 119.962 Ave N Shift Values>> N :: 115.7(5.05) 1.Y109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.41 G 0.03 HN Overlap>> 1.L105 1.L105 C Shift Assignments>> C :: 173.315 CA :: 54.626 CB :: 42.274 CD1 :: 132.897 CE1 :: 117.462 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 :: 8.471 HA :: 6.316 HB2 :: 2.553 HB3 :: 2.892 HD1 :: 6.827 HD2 :: 6.827 HE1 :: 6.625 HE2 :: 6.625 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 :: 119.926 Ave N Shift Values>> N :: 120.79(4.69) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 173.674 CA :: 56.074 CB :: 66.249 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.079 HA :: 4.726 HB2 :: 3.831 HB3 :: 3.978 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 :: 112.979 Ave N Shift Values>> N :: 116.3(3.95) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.320 CA :: 45.328 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.425 HA2 :: 3.837 HA3 :: 4.806 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.053 Ave N Shift Values>> N :: 109.91(4.29) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.23 E 0.2 C Shift Assignments>> C :: 174.567 CA :: 55.749 CB :: 33.094 CG :: 36.427 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.414 HA :: 4.662 HB2 :: 1.969 HB3 :: 2.034 HG2 :: 2.291 HG3 :: 2.183 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 :: 118.829 Ave N Shift Values>> N :: 120.68(3.68) 1.N113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.68 C 0.27 D 0.04 C Shift Assignments>> C :: 174.954 CA :: 51.898 CB :: 36.774 CG :: 176.507 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 :: 8.176 HA :: 4.157 HB2 :: 1.571(S) HB3 :: 1.944 HD21 :: 6.535 HD22 :: 6.994 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 :: 118.045 ND2 :: 109.472 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T114 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>> C :: 173.554 CA :: 61.070 CB :: 69.957 CG2 :: 21.287 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 :: 7.378 HA :: 4.189 HB :: 3.955 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 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 :: 112.653 Ave N Shift Values>> N :: 115.7(5.05) 1.F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.36 C 0.26 HN Overlap>> 1.A22 1.A22 C Shift Assignments>> C :: 175.058 CA :: 57.716 CB :: 39.595 CD1 :: 131.727 CE1 :: 131.054 CZ :: 129.521 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 :: 8.034 HA :: 4.430 HB2 :: 3.014 HB3 :: 2.758 HD1 :: 6.966 HD2 :: 6.966 HE1 :: 7.067 HE2 :: 7.067 HZ :: 7.071 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 :: 121.522 Ave N Shift Values>> N :: 120.69(4.18) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> CA :: 46.142 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.715 HA2 :: 3.646 HA3 :: 3.646 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.305 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 107 #Clerical: 0 #Suspicious: 8 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 115 #Suspicious: 1 C Shift Results: #Consistent: 521 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 852 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 1 N Shift Results: #Consistent: 113 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K6 HE2 = 2.060(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.3614e-05 1.K15 HB2 = 0.937(S), Expected = 1.79, Std = 0.2500, ChiSquare = 6.4488e-04 1.I32 HG12 = -0.105(S), Expected = 1.30, Std = 0.4000, ChiSquare = 4.4391e-04 1.I32 HD11 = -0.861(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.9575e-07 1.I32 HD12 = -0.861(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.9575e-07 1.I32 HD13 = -0.861(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.9575e-07 1.C33 HG = 1.299(A), Expected = 1.66, Std = 0.4800, ChiSquare = 4.5200e-01 1.K35 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K35 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.E97 HG2 = 1.537(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.3236e-04 1.D100 HB3 = 3.891(S), Expected = 2.70, Std = 0.2900, ChiSquare = 4.0101e-05 1.D102 H = 10.265(S), Expected = 8.33, Std = 0.5700, ChiSquare = 6.8695e-04 1.N113 HB2 = 1.571(S), Expected = 2.80, Std = 0.3400, ChiSquare = 3.0069e-04