Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 172.719 CA :: 56.107 CB :: 62.174 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.416 HB2 :: 3.984 HB3 :: 3.898 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.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.27 K 0.11 D 0.07 C 0.07 F 0.06 Y 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 170.031 CA :: 42.754 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.482 HA2 :: 3.732 HA3 :: 4.141 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.995 Ave N Shift Values>> N :: 109.91(4.29) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 Y 0.39 C Shift Assignments>> C :: 173.502 CA :: 54.575 CB :: 39.959 CD1 :: 130.635 CD2 :: 130.635 CE1 :: 115.315 CE2 :: 115.315 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 :: 8.460 HA :: 5.362 HB2 :: 2.592 HB3 :: 2.545 HD1 :: 6.863 HD2 :: 6.863 HE1 :: 6.771 HE2 :: 6.771 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 :: 118.517 Ave N Shift Values>> N :: 120.79(4.69) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 A 0.28 C Shift Assignments>> C :: 170.103 CA :: 55.986 CB :: 33.474 CG1 :: 19.591 CG2 :: 16.771 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 :: 9.137 HA :: 4.886 HB :: 1.849 HG11 :: 0.697 HG12 :: 0.697 HG13 :: 0.697 HG21 :: 0.497 HG22 :: 0.497 HG23 :: 0.497 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 :: 114.177 Ave N Shift Values>> N :: 121.02(4.96) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 I 0.04 A 0.01 C Shift Assignments>> C :: 172.236 CA :: 55.186 CB :: 39.317 CG1 :: 26.074 CG2 :: 13.606 CD1 :: 11.338 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 :: 9.149 HA :: 5.002 HB :: 1.286 HG12 :: 1.220 HG13 :: 0.765 HG21 :: 0.700 HG22 :: 0.700 HG23 :: 0.700 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 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 :: 119.103 Ave N Shift Values>> N :: 121.6(4.72) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 176.860 CA :: 49.901 CB :: 18.335 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.062 HA :: 4.192 HB1 :: 1.306 HB2 :: 1.306 HB3 :: 1.306 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.490 Ave N Shift Values>> N :: 123.23(3.7) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 C 0.23 L 0.01 C Shift Assignments>> C :: 173.904 CA :: 53.047 CB :: 40.218 CG :: 24.511 CD1 :: 22.633 CD2 :: 19.434 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.544 HA :: 4.165 HB2 :: 1.468 HB3 :: 1.468 HG :: 1.346 HD11 :: 0.667 HD12 :: 0.667 HD13 :: 0.667 HD21 :: 0.665 HD22 :: 0.665 HD23 :: 0.665 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.384 Ave N Shift Values>> N :: 121.98(4.07) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 K 0.3 A 0.05 R 0.02 C Shift Assignments>> C :: 171.013 CA :: 51.070 CB :: 31.559 CG :: 23.899 CD :: 40.979 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 :: 7.493 HA :: 4.482 HB2 :: 1.641 HB3 :: 1.991 HG2 :: 1.489 HG3 :: 1.611 HD2 :: 3.140 HD3 :: 3.213 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 113.681 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.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 C 0.03 C Shift Assignments>> C :: 169.724 CA :: 56.107 CB :: 60.760 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.569 HA :: 4.408 HB2 :: 3.831 HB3 :: 3.831 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.770 Ave N Shift Values>> N :: 116.3(3.95) 1.Y17 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 Y 0.43 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 169.156(A) CA :: 54.860 CB :: 37.632 CD1 :: 131.309 CD2 :: 131.309 CE1 :: 115.418 CE2 :: 115.418 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 :: 8.452 HA :: 4.280 HB2 :: 1.472(S) HB3 :: 1.962 HD1 :: 6.916 HD2 :: 6.916 HE1 :: 6.820 HE2 :: 6.820 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 :: 128.239 Ave N Shift Values>> N :: 120.79(4.69) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 A 0.01 C Shift Assignments>> C :: 173.025 CA :: 56.800 CB :: 34.981 CG1 :: 23.867 CG2 :: 14.455 CD1 :: 8.525 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 :: 7.875 HA :: 4.037 HB :: 1.574 HG12 :: 1.132 HG13 :: 0.852 HG21 :: 0.586 HG22 :: 0.586 HG23 :: 0.586 HD11 :: 0.342 HD12 :: 0.342 HD13 :: 0.342 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 :: 125.747 Ave N Shift Values>> N :: 121.6(4.72) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 C 0.21 S 0.03 T 0.02 C Shift Assignments>> C :: 170.192 CA :: 56.783 CB :: 68.547 CG2 :: 17.452 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 :: 7.721 HA :: 4.377 HB :: 3.878 HG21 :: 0.527 HG22 :: 0.527 HG23 :: 0.527 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 :: 119.501 Ave N Shift Values>> N :: 115.7(5.05) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 C 0.21 D 0.09 Y 0.03 F 0.02 C Shift Assignments>> C :: 172.698 CA :: 50.543 CB :: 38.018 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 :: 8.215 HA :: 4.606 HB2 :: 2.542 HB3 :: 2.542 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 :: 121.500 Ave N Shift Values>> N :: 120.73(4.2) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.28 D 0.04 Y 0.03 F 0.01 E 0.01 C Shift Assignments>> C :: 174.273 CA :: 50.537 CB :: 37.247 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 :: 8.071 HA :: 4.599 HB2 :: 2.706 HB3 :: 2.706 HD21 :: 7.707 HD22 :: 6.969 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 :: 120.341 ND2 :: 113.235 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.34 L 0.2 C 0.15 R 0.09 I 0.09 V 0.02 Q 0.02 W 0.01 H 0.01 T 0.01 C Shift Assignments>> C :: 172.691 CA :: 58.325 CB :: 24.649 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 4.323 HB2 :: 3.026 HB3 :: 2.998 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) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.390 CA :: 57.186 CB :: 61.366 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.564 HA :: 4.520 HB2 :: 3.876 HB3 :: 3.776 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.136 Ave N Shift Values>> N :: 116.3(3.95) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 C 0.22 L 0.03 C Shift Assignments>> C :: 173.924 CA :: 50.735 CB :: 40.346 CG :: 24.744 CD1 :: 22.327 CD2 :: 20.670 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 :: 7.806 HA :: 5.211 HB2 :: 1.848 HB3 :: 1.848 HG :: 1.458 HD11 :: 1.062 HD12 :: 1.062 HD13 :: 1.062 HD21 :: 0.806 HD22 :: 0.806 HD23 :: 0.806 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 :: 122.252 Ave N Shift Values>> N :: 121.98(4.07) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 C 0.24 L 0.09 G 0.02 C Shift Assignments>> C :: 171.244 CA :: 51.433 CB :: 41.731 CG :: 24.481 CD1 :: 21.309 CD2 :: 23.164 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.093 HA :: 4.154 HB2 :: 1.763 HB3 :: 1.080 HG :: 1.637 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.603 HD22 :: 0.603 HD23 :: 0.603 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 :: 125.170 Ave N Shift Values>> N :: 121.98(4.07) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.81 P 0.11 C 0.06 C Shift Assignments>> C :: 171.921 CA :: 53.527 CB :: 62.996 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.046 HA :: 5.183 HB2 :: 3.674 HB3 :: 3.674 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.607 Ave N Shift Values>> N :: 116.3(3.95) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 F 0.04 C Shift Assignments>> C :: 170.576 CA :: 53.349 CB :: 36.574 CD1 :: 129.632 CD2 :: 129.632 CE1 :: 128.665 CE2 :: 128.665 CZ :: 125.731 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 :: 8.115 HA :: 4.534 HB2 :: 3.018 HB3 :: 3.179 HD1 :: 6.461 HD2 :: 6.461 HE1 :: 6.764 HE2 :: 6.764 HZ :: 6.450 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.882 Ave N Shift Values>> N :: 120.69(4.18) 1.H28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.59 C 0.33 W 0.07 C Shift Assignments>> C :: 172.046 CA :: 51.977 CB :: 29.836 CD2 :: 117.369 CE1 :: 134.974 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.116 HA :: 4.802 HB2 :: 3.050 HB3 :: 2.862 HD2 :: 7.035 HE1 :: 7.838 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 :: 118.507 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 K 0.31 C 0.25 R 0.01 C Shift Assignments>> C :: 173.750 CA :: 55.889 CB :: 27.478 CG :: 24.118 CD :: 40.939 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 :: 8.091 HA :: 3.200 HB2 :: 1.610 HB3 :: 1.526 HG2 :: 1.298 HG3 :: 1.298 HD2 :: 3.085 HD3 :: 3.160 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 :: 121.807 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.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 K 0.2 R 0.13 D 0.11 F 0.08 C 0.07 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 170.712 CA :: 42.239 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.852 HA2 :: 3.389 HA3 :: 4.315 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.708 Ave N Shift Values>> N :: 109.91(4.29) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.17 D 0.13 Y 0.06 F 0.05 L 0.02 E 0.01 C Shift Assignments>> C :: 171.910 CA :: 52.633 CB :: 38.284 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 :: 8.076 HA :: 4.429 HB2 :: 2.358 HB3 :: 2.723 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 :: 121.427 Ave N Shift Values>> N :: 120.73(4.2) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 C 0.34 L 0.19 C Shift Assignments>> C :: 174.108 CA :: 51.240 CB :: 41.136 CG :: 24.815 CD1 :: 22.097 CD2 :: 22.135 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 :: 7.933 HA :: 4.765 HB2 :: 1.517 HB3 :: 1.452 HG :: 1.498 HD11 :: 0.655 HD12 :: 0.655 HD13 :: 0.655 HD21 :: 0.594 HD22 :: 0.594 HD23 :: 0.594 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 :: 120.477 Ave N Shift Values>> N :: 121.98(4.07) 1.I33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 I 0.25 A 0.01 C Shift Assignments>> C :: 171.601 CA :: 57.649 CB :: 38.465 CG1 :: 24.863 CG2 :: 15.407 CD1 :: 11.187 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 :: 9.161 HA :: 4.156 HB :: 1.049 HG12 :: -0.080(S) HG13 :: 0.606 HG21 :: 0.160 HG22 :: 0.160 HG23 :: 0.160 HD11 :: -1.006(S) HD12 :: -1.006(S) HD13 :: -1.006(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 :: 127.312 Ave N Shift Values>> N :: 121.6(4.72) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 A 0.37 R 0.02 K 0.02 HN Overlap>> 1.Y17 1.Y17 C Shift Assignments>> C :: 173.322 CA :: 52.148 CB :: 31.717 CG :: 22.174 CD :: 26.838 CE :: 39.884 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 :: 8.375 HA :: 3.875 HB2 :: 1.400 HB3 :: 1.785 HG2 :: 1.046 HG3 :: 0.653 HD2 :: 1.397 HD3 :: 1.397 HE2 :: 2.833 HE3 :: 2.833 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 :: 128.171 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 C 0.27 C Shift Assignments>> C :: 174.098 CA :: 52.708 CB :: 39.276 CG :: 24.159 CD1 :: 20.225 CD2 :: 22.709 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 :: 8.204 HA :: 4.494 HB2 :: 1.582 HB3 :: 1.285 HG :: 1.378 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.712 HD22 :: 0.712 HD23 :: 0.712 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.330 Ave N Shift Values>> N :: 121.98(4.07) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 G 0.18 C 0.17 L 0.02 C Shift Assignments>> C :: 171.837 CA :: 48.824 CB :: 42.087 CG :: 24.243 CD1 :: 23.372 CD2 :: 20.552 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 :: 8.156 HA :: 4.938 HB2 :: 1.534 HB3 :: 1.534 HG :: 1.470 HD11 :: 0.677 HD12 :: 0.677 HD13 :: 0.677 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 123.314 Ave N Shift Values>> N :: 121.98(4.07) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.86 G 0.12 C Shift Assignments>> C :: 173.787 CA :: 60.182 CB :: 29.156 CG :: 24.768 CD :: 47.823 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 :: 4.462 HB2 :: 1.823 HB3 :: 2.076 HG2 :: 2.003 HG3 :: 1.923 HD2 :: 3.663 HD3 :: 3.593 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.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 A 0.06 V 0.04 I 0.02 C Shift Assignments>> C :: 172.539 CA :: 57.927 CB :: 32.100 CG1 :: 18.543 CG2 :: 17.858 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.900 HA :: 4.116 HB :: 1.692 HG11 :: 0.493 HG12 :: 0.493 HG13 :: 0.493 HG21 :: 0.493 HG22 :: 0.493 HG23 :: 0.493 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 :: 119.071 Ave N Shift Values>> N :: 121.02(4.96) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 175.507 CA :: 51.898 CB :: 16.543 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.281 HA :: 4.064 HB1 :: 1.285 HB2 :: 1.285 HB3 :: 1.285 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.811 Ave N Shift Values>> N :: 123.23(3.7) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 S 0.29 A 0.21 T 0.2 C Shift Assignments>> C :: 169.977 CA :: 58.157 CB :: 67.390 CG2 :: 18.691 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 :: 7.300 HA :: 4.238 HB :: 3.959 HG21 :: 0.973 HG22 :: 0.973 HG23 :: 0.973 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.504 Ave N Shift Values>> N :: 115.7(5.05) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 C 0.31 L 0.06 G 0.05 HN Overlap>> 1.A65 1.A65 C Shift Assignments>> C :: 174.036 CA :: 51.467 CB :: 41.963 CG :: 23.878 CD1 :: 22.097 CD2 :: 21.862 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 :: 7.943 HA :: 4.231 HB2 :: 1.336 HB3 :: 1.456 HG :: 1.388 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 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 :: 125.332 Ave N Shift Values>> N :: 121.98(4.07) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.39 C 0.29 Q 0.12 K 0.09 R 0.08 C Shift Assignments>> C :: 171.371 CA :: 51.842 CB :: 27.005 CG :: 33.350 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 :: 8.569 HA :: 4.410 HB2 :: 1.910 HB3 :: 1.704 HG2 :: 2.212 HG3 :: 2.167 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 :: 126.653 Ave N Shift Values>> N :: 120.68(3.68) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.81 G 0.13 P 0.04 C Shift Assignments>> C :: 175.231 CA :: 61.538 CB :: 29.132 CG :: 25.296 CD :: 47.981 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 :: 4.276 HB2 :: 2.239 HB3 :: 1.842 HG2 :: 2.093 HG3 :: 1.950 HD2 :: 3.818 HD3 :: 3.633 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.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 K 0.19 R 0.14 D 0.1 F 0.07 C 0.07 Y 0.05 I 0.02 N 0.01 G 0.01 C Shift Assignments>> C :: 171.944 CA :: 42.287 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.634 HA2 :: 3.460 HA3 :: 4.125 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.445 Ave N Shift Values>> N :: 109.91(4.29) 1.W45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 W 0.09 C Shift Assignments>> C :: 171.346 CA :: 54.293 CB :: 28.916 CD1 :: 125.108 CE3 :: 117.638 CZ2 :: 112.014 CZ3 :: 117.956 CH2 :: 121.822 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 :: 7.973 HA :: 4.746 HB2 :: 3.093 HB3 :: 3.034 HD1 :: 6.912 HE1 :: 9.974 HE3 :: 7.309 HZ2 :: 7.386 HZ3 :: 6.911 HH2 :: 7.167 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 :: 122.533 NE1 :: 129.354 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q46 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 Q 0.06 K 0.05 R 0.02 C Shift Assignments>> C :: 169.103(A) CA :: 51.559 CB :: 31.786 CG :: 31.775 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 :: 8.851 HA :: 4.406 HB2 :: 0.654(S) HB3 :: 1.318 HG2 :: 2.048 HG3 :: 1.932 HE21 :: 7.279 HE22 :: 6.500 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 :: 120.515 NE2 :: 109.658 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 F 0.25 G 0.01 C Shift Assignments>> C :: 172.243 CA :: 53.698 CB :: 41.304 CD1 :: 129.656 CD2 :: 129.656 CE1 :: 128.316 CE2 :: 128.316 CZ :: 127.081 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 :: 8.230 HA :: 5.205 HB2 :: 2.751 HB3 :: 3.010 HD1 :: 7.044 HD2 :: 7.044 HE1 :: 7.218 HE2 :: 7.218 HZ :: 7.146 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.803 Ave N Shift Values>> N :: 120.69(4.18) 1.G48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.26 G 0.21 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 167.443(S) CA :: 43.916 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.994 HA2 :: 4.375 HA3 :: 3.910 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.302 Ave N Shift Values>> N :: 109.91(4.29) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.58 S 0.36 C 0.05 HN Overlap>> 1.G51 1.G51 C Shift Assignments>> C :: 171.113 CA :: 52.870 CB :: 63.846 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.131 HA :: 5.545 HB2 :: 3.487 HB3 :: 3.636 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 :: 111.780 Ave N Shift Values>> N :: 116.3(3.95) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 175.795 CA :: 50.253 CB :: 19.023 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.631 HA :: 4.623 HB1 :: 1.408 HB2 :: 1.408 HB3 :: 1.408 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.019 Ave N Shift Values>> N :: 123.23(3.7) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 HN Overlap>> 1.S49 1.S49 C Shift Assignments>> C :: 172.708 CA :: 44.496 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.197 HA2 :: 3.900 HA3 :: 3.900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.726 Ave N Shift Values>> N :: 109.91(4.29) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.2 K 0.15 D 0.09 C 0.07 F 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> C :: 171.026 CA :: 42.513 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.754 HA2 :: 3.620 HA3 :: 4.129 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.716 Ave N Shift Values>> N :: 109.91(4.29) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.29 R 0.04 A 0.01 L 0.01 C Shift Assignments>> C :: 171.384 CA :: 51.818 CB :: 30.817 CG :: 24.647 CD :: 40.621 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 :: 7.618 HA :: 4.714 HB2 :: 1.875 HB3 :: 1.797 HG2 :: 1.561 HG3 :: 1.561 HD2 :: 3.254 HD3 :: 3.254 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 :: 119.848 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.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 P 0.03 C 0.03 C Shift Assignments>> C :: 177.361 CA :: 53.795 CB :: 63.688 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.285 HA :: 5.554 HB2 :: 3.482 HB3 :: 3.482 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 :: 112.906 Ave N Shift Values>> N :: 116.3(3.95) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 K 0.07 C 0.07 D 0.06 F 0.05 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 168.162 CA :: 43.041 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.370 HA2 :: 4.032 HA3 :: 3.819 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.535 Ave N Shift Values>> N :: 109.91(4.29) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 L 0.26 G 0.22 C 0.19 C Shift Assignments>> C :: 175.377 CA :: 52.000 CB :: 43.191 CG :: 24.889 CD1 :: 22.106 CD2 :: 23.026 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 :: 8.134 HA :: 5.583 HB2 :: 1.813 HB3 :: 1.647 HG :: 1.879 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 0.576 HD22 :: 0.576 HD23 :: 0.576 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 :: 119.705 Ave N Shift Values>> N :: 121.98(4.07) 1.F57 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 H 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 168.576(A) CA :: 53.541 CB :: 35.861 CD1 :: 131.247 CD2 :: 131.247 CE1 :: 127.492 CE2 :: 127.492 CZ :: 125.884 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 :: 8.693 HA :: 5.171 HB2 :: 3.435 HB3 :: 2.623 HD1 :: 6.925 HD2 :: 6.925 HE1 :: 6.656 HE2 :: 6.656 HZ :: 6.535 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 :: 113.901 Ave N Shift Values>> N :: 120.69(4.18) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.84 G 0.14 C Shift Assignments>> C :: 174.104 CA :: 59.819 CB :: 29.041 CG :: 24.999 CD :: 47.636 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.535 HB2 :: 1.535 HB3 :: 1.535 HG2 :: 1.059 HG3 :: 1.510 HD2 :: 2.505 HD3 :: 3.252 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.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 175.600 CA :: 51.127 CB :: 15.952 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.856 HA :: 3.651 HB1 :: 0.966 HB2 :: 0.966 HB3 :: 0.966 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.918 Ave N Shift Values>> N :: 123.23(3.7) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.25 D 0.05 Y 0.05 E 0.03 F 0.03 C Shift Assignments>> C :: 174.484 CA :: 51.995 CB :: 37.248 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 :: 8.097 HA :: 4.410 HB2 :: 2.460 HB3 :: 2.681 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 :: 110.871 Ave N Shift Values>> N :: 120.73(4.2) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 I 0.14 C Shift Assignments>> C :: 170.776 CA :: 58.502 CB :: 35.912 CG1 :: 24.234 CG2 :: 14.674 CD1 :: 12.615 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 :: 6.834 HA :: 4.508 HB :: 2.025 HG12 :: 1.344 HG13 :: 1.344 HG21 :: 0.799 HG22 :: 0.799 HG23 :: 0.799 HD11 :: 0.627 HD12 :: 0.627 HD13 :: 0.627 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 :: 111.686 Ave N Shift Values>> N :: 121.6(4.72) 1.V62 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 A 0.33 I 0.01 C Shift Assignments>> C :: 171.292 CA :: 55.748 CB :: 33.158 CG1 :: 19.097 CG2 :: 15.156(S) 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 :: 7.073 HA :: 5.263 HB :: 1.704 HG11 :: 0.419 HG12 :: 0.419 HG13 :: 0.419 HG21 :: 0.779 HG22 :: 0.779 HG23 :: 0.779 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 :: 110.610 Ave N Shift Values>> N :: 121.02(4.96) 1.Q63 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.77 C 0.14 R 0.04 K 0.02 HN Overlap>> 1.S78 1.S78 C Shift Assignments>> C :: 169.774(A) CA :: 49.915 CB :: 28.796 CG :: 30.343 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 :: 8.352 HA :: 5.044 HB2 :: 1.977 HB3 :: 1.894 HG2 :: 2.230 HG3 :: 2.230 HE21 :: 7.236 HE22 :: 6.747 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.979 NE2 :: 111.377 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.74 P 0.17 G 0.07 C Shift Assignments>> C :: 172.520 CA :: 61.857 CB :: 29.788 CG :: 25.374 CD :: 48.335 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 :: 4.420 HB2 :: 2.421 HB3 :: 1.796 HG2 :: 2.069 HG3 :: 1.889 HD2 :: 3.859 HD3 :: 3.536 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.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 A 0.4 C 0.02 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 173.031 CA :: 48.027 CB :: 19.611 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.962 HA :: 4.458 HB1 :: 1.058 HB2 :: 1.058 HB3 :: 1.058 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.342 Ave N Shift Values>> N :: 123.23(3.7) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 G 0.12 C 0.02 C Shift Assignments>> C :: 173.869 CA :: 48.995 CB :: 16.718 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.195 HA :: 4.211 HB1 :: 1.215 HB2 :: 1.215 HB3 :: 1.215 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.552 Ave N Shift Values>> N :: 123.23(3.7) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 A 0.05 C Shift Assignments>> C :: 173.275 CA :: 47.823 CB :: 15.239 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.149 HA :: 3.841 HB1 :: 1.200 HB2 :: 1.200 HB3 :: 1.200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.267 Ave N Shift Values>> N :: 123.23(3.7) 1.P68 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.65 G 0.33 L 0.01 C Shift Assignments>> C :: 173.443 CA :: 60.154 CB :: 29.083 CG :: 24.511 CD :: 46.857(S) 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 :: 4.063 HB2 :: 1.390 HB3 :: 1.837 HG2 :: 1.566 HG3 :: 1.566 HD2 :: 2.825 HD3 :: 2.825 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.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.17 D 0.14 Y 0.04 F 0.03 L 0.01 C Shift Assignments>> C :: 173.618 CA :: 51.367 CB :: 38.527 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 :: 8.024 HA :: 4.351 HB2 :: 2.462 HB3 :: 2.462 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 :: 119.280 Ave N Shift Values>> N :: 120.73(4.2) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 F 0.06 C Shift Assignments>> C :: 173.289 CA :: 55.260 CB :: 36.525 CD1 :: 128.958 CD2 :: 128.958 CE1 :: 129.016 CE2 :: 129.016 CZ :: 127.100 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.981 HA :: 4.463 HB2 :: 2.851 HB3 :: 3.020 HD1 :: 7.081 HD2 :: 7.081 HE1 :: 7.152 HE2 :: 7.152 HZ :: 7.148 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 :: 120.683 Ave N Shift Values>> N :: 120.69(4.18) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 HN Overlap>> 1.G85 1.G85 C Shift Assignments>> C :: 171.593 CA :: 56.252 CB :: 61.097 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.051 HA :: 4.191 HB2 :: 3.675 HB3 :: 3.617 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.782 Ave N Shift Values>> N :: 116.3(3.95) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 F 0.08 C Shift Assignments>> C :: 173.275 CA :: 55.321 CB :: 36.769 CD1 :: 129.002 CD2 :: 129.002 CE1 :: 129.047 CE2 :: 129.047 CZ :: 127.106 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.937 HA :: 4.503 HB2 :: 3.060 HB3 :: 2.939 HD1 :: 7.163 HD2 :: 7.163 HE1 :: 7.245 HE2 :: 7.245 HZ :: 7.196 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 :: 121.566 Ave N Shift Values>> N :: 120.69(4.18) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.96 C 0.03 C Shift Assignments>> C :: 172.022 CA :: 55.672 CB :: 61.232 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.302 HB2 :: 3.756 HB3 :: 3.714 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.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 A 0.24 L 0.04 R 0.02 C Shift Assignments>> C :: 174.168 CA :: 54.250 CB :: 30.082 CG :: 22.109 CD :: 26.399 CE :: 39.534 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 :: 8.235 HA :: 4.153 HB2 :: 1.758 HB3 :: 1.672 HG2 :: 1.335 HG3 :: 1.335 HD2 :: 1.593 HD3 :: 1.593 HE2 :: 2.894 HE3 :: 2.894 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.157 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.28 K 0.23 R 0.11 E 0.04 C Shift Assignments>> C :: 173.951 CA :: 54.253 CB :: 27.431 CG :: 33.676 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 :: 8.244 HA :: 4.130 HB2 :: 1.922 HB3 :: 1.830 HG2 :: 2.154 HG3 :: 2.154 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 :: 120.770 Ave N Shift Values>> N :: 120.68(3.68) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.38 K 0.14 P 0.02 Q 0.02 C Shift Assignments>> C :: 173.381 CA :: 53.306 CB :: 26.689 CG :: 31.190 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 :: 8.204 HA :: 4.211 HB2 :: 1.992 HB3 :: 1.883 HG2 :: 2.238 HG3 :: 2.238 HE21 :: 6.735 HE22 :: 7.399 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 :: 121.354 NE2 :: 112.362 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 K 0.32 C 0.24 R 0.01 C Shift Assignments>> C :: 173.758 CA :: 53.464 CB :: 28.152 CG :: 24.453 CD :: 40.785 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 :: 8.268 HA :: 4.281 HB2 :: 1.773 HB3 :: 1.669 HG2 :: 1.524 HG3 :: 1.524 HD2 :: 3.085 HD3 :: 3.085 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 :: 122.177 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.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 HN Overlap>> 1.Q63 1.Q63 C Shift Assignments>> C :: 171.970 CA :: 55.738 CB :: 61.460 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.304 HA :: 4.415 HB2 :: 3.783 HB3 :: 3.783 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 :: 117.047 Ave N Shift Values>> N :: 116.3(3.95) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.23 D 0.12 R 0.1 F 0.09 C 0.07 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 171.543 CA :: 42.063 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.217 HA2 :: 4.040 HA3 :: 4.040 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.674 Ave N Shift Values>> N :: 109.91(4.29) 1.S80 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 :: 172.436 CA :: 55.679 CB :: 61.337 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.160 HA :: 4.426 HB2 :: 3.775 HB3 :: 3.775 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 :: 115.303 Ave N Shift Values>> N :: 116.3(3.95) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.29 K 0.1 D 0.07 C 0.07 F 0.05 Y 0.03 G 0.02 I 0.01 C Shift Assignments>> CA :: 42.806 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.364 HA2 :: 3.932 HA3 :: 3.932 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.132 Ave N Shift Values>> N :: 109.91(4.29) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.69 G 0.29 C Shift Assignments>> C :: 174.743 CA :: 60.579 CB :: 29.492 CG :: 24.564 CD :: 47.066 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 :: 4.383 HB2 :: 1.881 HB3 :: 2.199 HG2 :: 1.919 HG3 :: 1.919 HD2 :: 3.523 HD3 :: 3.523 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.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 C 0.03 C Shift Assignments>> C :: 172.005 CA :: 55.720 CB :: 61.164 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.418 HA :: 4.414 HB2 :: 3.813 HB3 :: 3.813 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.198 Ave N Shift Values>> N :: 116.3(3.95) 1.S84 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 :: 171.285 CA :: 55.671 CB :: 61.568 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.209 HA :: 4.402 HB2 :: 3.793 HB3 :: 3.804 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 :: 117.657 Ave N Shift Values>> N :: 116.3(3.95) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.09 C 0.08 D 0.04 F 0.04 K 0.04 Y 0.02 HN Overlap>> 1.S71 1.S71 C Shift Assignments>> C :: 176.363 CA :: 43.482 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.945 HA2 :: 3.696 HA3 :: 3.696 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.760 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 77 #Clerical: 0 #Suspicious: 2 #Anomalous: 3 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 75 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 85 #Suspicious: 0 C Shift Results: #Consistent: 331 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 4 H Shift Results: #Consistent: 508 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 74 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y17 C = 169.156(A), Expected = 175.39, Std = 1.8900, ChiSquare = 9.7233e-04 1.Y17 HB2 = 1.472(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.0171e-04 1.I33 HG12 = -0.080(S), Expected = 1.30, Std = 0.4000, ChiSquare = 5.6059e-04 1.I33 HD11 = -1.006(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.2954e-08 1.I33 HD12 = -1.006(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.2954e-08 1.I33 HD13 = -1.006(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.2954e-08 1.Q46 C = 169.103(A), Expected = 176.39, Std = 1.9600, ChiSquare = 2.0092e-04 1.Q46 HB2 = 0.654(S), Expected = 2.05, Std = 0.2800, ChiSquare = 6.1733e-07 1.G48 C = 167.443(S), Expected = 174.04, Std = 1.9400, ChiSquare = 6.7259e-04 1.F57 C = 168.576(A), Expected = 175.49, Std = 2.1300, ChiSquare = 1.1703e-03 1.V62 Typing: Mistyped 1.V62 CG2 = 15.156(S), Expected = 21.31, Std = 1.7600, ChiSquare = 4.7124e-04 1.Q63 Typing: Mistyped 1.Q63 C = 169.774(A), Expected = 176.39, Std = 1.9600, ChiSquare = 7.3679e-04 1.P68 Typing: Mistyped 1.P68 CD = 46.857(S), Expected = 50.28, Std = 1.0400, ChiSquare = 9.9709e-04