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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.655 CA :: 58.179 CB :: 64.185 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.464 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) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 G 0.31 C 0.13 D 0.04 F 0.04 Y 0.02 K 0.02 C Shift Assignments>> C :: 171.879 CA :: 43.973 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.111 HA2 :: 3.981 HA3 :: 3.331 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.726 Ave N Shift Values>> N :: 109.91(4.29) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 W 0.14 R 0.13 E 0.12 H 0.1 M 0.1 K 0.1 Q 0.07 V 0.04 I 0.02 C Shift Assignments>> C :: 177.894 CA :: 58.087 CB :: 31.305 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.029 HA :: 4.237 HB2 :: 3.379 HB3 :: 2.163 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.845 Ave N Shift Values>> N :: 119.95(4.79) 1.Q9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.26 K 0.25 Q 0.22 R 0.15 E 0.04 M 0.03 C Shift Assignments>> C :: 175.674 CA :: 57.528 CB :: 28.095 CG :: 33.006 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 :: 8.581 HA :: 3.710 HB2 :: 1.108(S) HB3 :: 0.785(S) HG2 :: 2.091 HG3 :: 1.980 HE21 :: 6.834 HE22 :: 7.592 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 :: 130.162 NE2 :: 113.507 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 M 0.29 E 0.17 Q 0.13 K 0.02 C Shift Assignments>> C :: 176.456 CA :: 57.703 CB :: 32.247 CG :: 34.436 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 :: 8.381 HA :: 4.703 HB2 :: 2.570 HB3 :: 2.269 HG2 :: 2.862 HG3 :: 2.311 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 :: 119.398 Ave N Shift Values>> N :: 120.68(3.68) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.15 R 0.12 E 0.11 V 0.09 H 0.08 K 0.07 M 0.06 Q 0.05 I 0.05 P 0.01 C Shift Assignments>> C :: 176.010 CA :: 59.429 CB :: 31.156 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.113 HA :: 4.892 HB2 :: 3.350 HB3 :: 3.061 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.767 Ave N Shift Values>> N :: 119.95(4.79) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 K 0.16 G 0.03 C Shift Assignments>> C :: 175.935 CA :: 57.294 CB :: 28.798 CG :: 24.885 CD :: 28.304 CE :: 42.800 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 :: 7.733 HA :: 4.133 HB2 :: 2.250 HB3 :: 1.983 HG2 :: 1.350 HG3 :: 1.190 HD2 :: 1.551 HD3 :: 1.490 HE2 :: 2.974 HE3 :: 2.911 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 :: 115.059 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.23 G 0.01 M 0.01 C Shift Assignments>> C :: 176.559 CA :: 55.443 CB :: 34.324 CG :: 25.469 CD :: 28.873 CE :: 42.439 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 :: 8.293 HA :: 4.689 HB2 :: 2.083 HB3 :: 2.083 HG2 :: 1.615 HG3 :: 1.489 HD2 :: 1.701 HD3 :: 1.701 HE2 :: 3.027 HE3 :: 3.027 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 :: 120.631 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.379 CA :: 64.123 CB :: 69.797 CG2 :: 22.354 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 :: 8.311 HA :: 3.930 HB :: 3.890 HG21 :: 1.090 HG22 :: 1.090 HG23 :: 1.090 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.313 Ave N Shift Values>> N :: 115.7(5.05) 1.I15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.462 CA :: 60.808 CB :: 37.230 CG1 :: 26.562 CG2 :: 17.693 CD1 :: 14.490 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 :: 8.678 HA :: 4.042 HB :: 1.522 HG12 :: 1.129 HG13 :: -0.442(S) HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 HD11 :: 0.239 HD12 :: 0.239 HD13 :: 0.239 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 :: 128.094 Ave N Shift Values>> N :: 121.6(4.72) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.3 A 0.29 C Shift Assignments>> C :: 174.777 CA :: 53.886 CB :: 30.777 CG :: 32.509 CE :: 16.942 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 :: 9.129 HA :: 4.609 HB2 :: 2.099 HB3 :: 2.000 HG2 :: 2.769 HG3 :: 2.572 HE1 :: 2.130 HE2 :: 2.130 HE3 :: 2.130 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 :: 129.550 Ave N Shift Values>> N :: 120.1(3.88) 1.P17 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>> CA :: 64.104 CB :: 31.725 CG :: 27.795 CD :: 50.878 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 :: 4.385 HB2 :: 2.326 HB3 :: 1.880 HG2 :: 2.124 HG3 :: 2.015 HD2 :: 3.934 HD3 :: 3.655 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.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.86 C 0.08 R 0.03 C Shift Assignments>> C :: 174.626 CA :: 45.363 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.217 HA3 :: 3.730 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.228 CA :: 61.264 CB :: 70.633 CG2 :: 22.172 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 :: 7.610 HA :: 4.530 HB :: 4.319 HG21 :: 1.328 HG22 :: 1.328 HG23 :: 1.328 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 :: 112.991 Ave N Shift Values>> N :: 115.7(5.05) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.15 G 0.05 C Shift Assignments>> C :: 175.921 CA :: 57.742 CB :: 30.317 CG :: 27.839 CD :: 43.134 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 :: 8.739 HA :: 4.239 HB2 :: 1.798 HB3 :: 1.798 HG2 :: 1.774 HG3 :: 1.612 HD2 :: 3.275 HD3 :: 3.208 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 :: 123.393 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.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.22 R 0.09 M 0.06 A 0.03 G 0.02 C Shift Assignments>> C :: 174.475 CA :: 54.360 CB :: 36.304 CG :: 23.499 CD :: 29.897 CE :: 42.125 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 :: 8.682 HA :: 5.129 HB2 :: 1.699 HB3 :: 1.699 HG2 :: 1.180 HG3 :: 1.391 HD2 :: 1.540 HD3 :: 1.471 HE2 :: 2.855 HE3 :: 2.855 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 :: 123.675 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 A 0.33 C 0.25 C Shift Assignments>> C :: 174.427 CA :: 53.316 CB :: 33.860 CG :: 31.827 CE :: 17.154 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 :: 8.871 HA :: 4.767 HB2 :: 1.353 HB3 :: 1.313 HG2 :: 1.826 HG3 :: 1.360 HE1 :: 1.709 HE2 :: 1.709 HE3 :: 1.709 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 :: 121.319 Ave N Shift Values>> N :: 120.1(3.88) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.23 E 0.17 C Shift Assignments>> C :: 175.263 CA :: 54.982 CB :: 33.183 CG :: 36.627 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 :: 8.411 HA :: 5.470 HB2 :: 2.000 HB3 :: 1.849 HG2 :: 2.144 HG3 :: 2.087 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.665 Ave N Shift Values>> N :: 120.68(3.68) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.37 C Shift Assignments>> C :: 174.365 CA :: 58.860 CB :: 40.963 CD1 :: 133.380 CD2 :: 133.380 CE1 :: 118.623 CE2 :: 118.623 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 :: 8.900 HA :: 4.734 HB2 :: 3.029 HB3 :: 2.987 HD1 :: 7.330 HD2 :: 7.330 HE1 :: 6.941 HE2 :: 6.941 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 :: 123.200 Ave N Shift Values>> N :: 120.79(4.69) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.34 R 0.26 M 0.02 G 0.01 C Shift Assignments>> C :: 176.161 CA :: 57.290 CB :: 30.736 CG :: 25.162 CD :: 29.442 CE :: 42.230 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 :: 9.149 HA :: 3.623 HB2 :: 1.803 HB3 :: 1.343 HG2 :: 0.801 HG3 :: 0.591 HD2 :: 1.500 HD3 :: 1.500 HE2 :: 2.917 HE3 :: 2.917 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 :: 127.460 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.09 R 0.02 C Shift Assignments>> C :: 174.797 CA :: 45.655 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.672 HA2 :: 4.161 HA3 :: 3.630 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.045 Ave N Shift Values>> N :: 109.91(4.29) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 172.118 CA :: 58.000 CB :: 65.733 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.041 HA :: 4.608 HB2 :: 3.790 HB3 :: 3.030 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 :: 118.277 Ave N Shift Values>> N :: 116.3(3.95) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.79 T 0.2 C Shift Assignments>> C :: 171.597 CA :: 57.721 CB :: 66.552 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.420 HA :: 5.599 HB2 :: 3.411 HB3 :: 3.350 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 :: 117.001 Ave N Shift Values>> N :: 116.3(3.95) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 W 0.24 C Shift Assignments>> C :: 178.449 CA :: 56.941 CB :: 35.505 CD1 :: 126.779 CE3 :: 121.693 CZ2 :: 114.190 CZ3 :: 123.017 CH2 :: 124.300 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.159 HA :: 5.881 HB2 :: 3.468 HB3 :: 2.680 HD1 :: 7.099 HE1 :: 10.929 HE3 :: 7.306 HZ2 :: 7.530 HZ3 :: 7.104 HH2 :: 7.367 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.094 NE1 :: 129.957 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.41 C 0.31 H 0.26 C Shift Assignments>> C :: 178.415 CA :: 60.075 CB :: 30.794 CD2 :: 119.692 CE1 :: 138.567 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 :: 8.913 HA :: 4.521 HB2 :: 3.690 HB3 :: 3.589 HD2 :: 7.609 HE1 :: 7.224 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 :: 120.381 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.32 E 0.21 K 0.02 M 0.01 C Shift Assignments>> C :: 178.552 CA :: 61.410 CB :: 29.848 CG :: 36.596 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 :: 8.661 HA :: 3.860 HB2 :: 2.080 HB3 :: 1.880 HG2 :: 2.233 HG3 :: 2.149 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 :: 126.025 Ave N Shift Values>> N :: 120.68(3.68) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.05 C Shift Assignments>> C :: 176.959 CA :: 63.457 CB :: 68.554 CG2 :: 22.489 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 :: 7.988 HA :: 4.010 HB :: 4.419 HG21 :: 1.288 HG22 :: 1.288 HG23 :: 1.288 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 :: 104.548 Ave N Shift Values>> N :: 115.7(5.05) 1.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.24 C 0.18 W 0.11 P 0.08 R 0.07 K 0.06 E 0.06 I 0.05 M 0.04 H 0.04 Q 0.01 C Shift Assignments>> C :: 173.844 CA :: 60.652 CB :: 31.971 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.529 HA :: 4.390 HB2 :: 3.489 HB3 :: 3.250 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.452 Ave N Shift Values>> N :: 119.95(4.79) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 F 0.49 C Shift Assignments>> C :: 173.290 CA :: 57.125 CB :: 37.173 CD1 :: 130.963 CD2 :: 130.963 CE1 :: 130.278 CE2 :: 130.278 CZ :: 128.521 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 :: 7.240 HA :: 4.139 HB2 :: 3.129 HB3 :: 2.211 HD1 :: 5.850 HD2 :: 5.850 HE1 :: 5.621 HE2 :: 5.621 HZ :: 5.150 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 :: 123.955 Ave N Shift Values>> N :: 120.69(4.18) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.41 A 0.02 G 0.01 C Shift Assignments>> C :: 174.262 CA :: 58.577 CB :: 41.911 CG1 :: 24.634 CG2 :: 17.152 CD1 :: 13.471 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 :: 7.060 HA :: 4.400 HB :: 1.099 HG12 :: 0.741 HG13 :: 0.741 HG21 :: 0.423 HG22 :: 0.423 HG23 :: 0.423 HD11 :: 0.598 HD12 :: 0.598 HD13 :: 0.598 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 :: 118.045 Ave N Shift Values>> N :: 121.6(4.72) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.13 W 0.13 E 0.12 M 0.11 K 0.1 H 0.1 Q 0.06 V 0.03 I 0.01 C Shift Assignments>> C :: 177.127 CA :: 57.809 CB :: 31.407 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.659 HA :: 4.139 HB2 :: 3.382 HB3 :: 2.591 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.560 Ave N Shift Values>> N :: 119.95(4.79) 1.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.39 C 0.32 H 0.28 C Shift Assignments>> C :: 175.222 CA :: 60.292 CB :: 30.685 CD2 :: 118.928 CE1 :: 138.103 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.911 HA :: 4.064 HB2 :: 2.663 HB3 :: 2.602 HD2 :: 7.051 HE1 :: 7.847 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 :: 128.702 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.35 K 0.19 G 0.03 C Shift Assignments>> C :: 176.613 CA :: 58.345 CB :: 30.255 CG :: 28.111 CD :: 42.811 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.021 HA :: 4.539 HB2 :: 2.509 HB3 :: 1.892 HG2 :: 1.667 HG3 :: 1.667 HD2 :: 3.288 HD3 :: 3.248 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.891 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.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 V 0.16 W 0.13 R 0.09 K 0.08 E 0.08 M 0.07 H 0.05 I 0.04 Q 0.03 P 0.03 C Shift Assignments>> C :: 176.229 CA :: 59.916 CB :: 31.863 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.490 HA :: 4.705 HB2 :: 3.240 HB3 :: 2.740 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.981 Ave N Shift Values>> N :: 119.95(4.79) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.33 Q 0.12 R 0.06 M 0.03 I 0.02 E 0.02 V 0.01 C Shift Assignments>> C :: 174.050 CA :: 57.472 CB :: 25.556 CG :: 34.132 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 :: 7.901 HA :: 4.019 HB2 :: 2.330 HB3 :: 2.261 HG2 :: 2.140 HG3 :: 2.009 HE21 :: 7.065 HE22 :: 6.600 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 :: 115.738 NE2 :: 112.847 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.28 K 0.24 R 0.06 E 0.06 M 0.04 C Shift Assignments>> C :: 174.818 CA :: 53.321 CB :: 28.437 CG :: 33.932 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 :: 7.960 HA :: 4.688 HB2 :: 2.076 HB3 :: 2.047 HG2 :: 2.427 HG3 :: 2.398 HE21 :: 7.450 HE22 :: 6.898 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.109 NE2 :: 113.683 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.199 CA :: 63.341 CB :: 31.707 CG :: 27.782 CD :: 50.802 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 :: 4.367 HB2 :: 2.301 HB3 :: 1.826 HG2 :: 2.127 HG3 :: 1.930 HD2 :: 3.858 HD3 :: 3.619 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.I43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 177.380 CA :: 62.551 CB :: 38.624 CG1 :: 29.080 CG2 :: 18.541 CD1 :: 11.684 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 :: 8.303 HA :: 3.674 HB :: 1.240 HG12 :: 0.762 HG13 :: 0.345 HG21 :: 0.568 HG22 :: 0.568 HG23 :: 0.568 HD11 :: -0.453(S) HD12 :: -0.453(S) HD13 :: -0.453(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 :: 125.311 Ave N Shift Values>> N :: 121.6(4.72) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.12 C Shift Assignments>> C :: 175.243 CA :: 46.335 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.740 HA2 :: 3.966 HA3 :: 3.818 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.786 Ave N Shift Values>> N :: 109.91(4.29) 1.T45 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 :: 175.249 CA :: 61.611 CB :: 68.628 CG2 :: 21.769 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 :: 8.420 HA :: 4.390 HB :: 4.580 HG21 :: 1.180 HG22 :: 1.180 HG23 :: 1.180 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 :: 114.191 Ave N Shift Values>> N :: 115.7(5.05) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.15 M 0.02 C Shift Assignments>> C :: 176.024 CA :: 56.489 CB :: 33.246 CG :: 24.901 CD :: 29.074 CE :: 41.838 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 :: 7.839 HA :: 4.393 HB2 :: 2.021 HB3 :: 2.021 HG2 :: 1.689 HG3 :: 1.551 HD2 :: 1.840 HD3 :: 1.777 HE2 :: 3.079 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 :: 121.383 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.564 CA :: 58.965 CB :: 63.775 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.103 HA :: 4.453 HB2 :: 3.780 HB3 :: 3.720 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 :: 113.892 Ave N Shift Values>> N :: 116.3(3.95) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.35 G 0.01 C Shift Assignments>> C :: 172.755 CA :: 55.486 CB :: 41.853 CD1 :: 132.272 CD2 :: 132.272 CE1 :: 131.062 CE2 :: 131.062 CZ :: 129.558 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 :: 7.790 HA :: 5.120 HB2 :: 2.760 HB3 :: 2.572 HD1 :: 6.808 HD2 :: 6.808 HE1 :: 6.840 HE2 :: 6.840 HZ :: 6.298 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 :: 117.825 Ave N Shift Values>> N :: 120.69(4.18) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.45 A 0.05 C Shift Assignments>> C :: 174.159 CA :: 57.417 CB :: 41.158 CG1 :: 27.208 CG2 :: 16.851 CD1 :: 12.887 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 :: 9.479 HA :: 4.328 HB :: 1.290 HG12 :: 0.960 HG13 :: 0.718 HG21 :: 0.138 HG22 :: 0.138 HG23 :: 0.138 HD11 :: 0.396 HD12 :: 0.396 HD13 :: 0.396 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.302 Ave N Shift Values>> N :: 121.6(4.72) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.42 C Shift Assignments>> C :: 177.350 CA :: 61.405 CB :: 32.620 CG :: 26.588 CD :: 51.034 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 :: 5.580 HB2 :: 2.460 HB3 :: 2.080 HG2 :: 2.219 HG3 :: 2.031 HD2 :: 3.690 HD3 :: 3.244 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.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 175.613 CA :: 56.202 CB :: 34.903 CG :: 24.879 CD :: 29.107 CE :: 42.230 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 :: 9.221 HA :: 4.481 HB2 :: 1.981 HB3 :: 1.781 HG2 :: 1.441 HG3 :: 1.303 HD2 :: 1.654 HD3 :: 1.521 HE2 :: 2.917 HE3 :: 2.917 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.236 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.22 C 0.2 D 0.14 N 0.08 I 0.04 E 0.01 K 0.01 C Shift Assignments>> C :: 176.046 CA :: 56.434 CB :: 39.469 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 :: 9.322 HA :: 4.251 HB2 :: 2.882 HB3 :: 2.849 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 :: 127.556 Ave N Shift Values>> N :: 120.73(4.2) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.23 Y 0.14 D 0.1 F 0.09 E 0.07 M 0.02 I 0.01 C Shift Assignments>> C :: 174.132 CA :: 54.589 CB :: 37.959 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 :: 8.652 HA :: 4.582 HB2 :: 3.025 HB3 :: 3.025 HD21 :: 6.934 HD22 :: 7.599 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 :: 114.226 ND2 :: 113.301 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.33 Q 0.14 E 0.05 K 0.02 C Shift Assignments>> C :: 173.427 CA :: 54.151 CB :: 32.283 CG :: 33.589 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 :: 7.971 HA :: 4.419 HB2 :: 2.000 HB3 :: 1.347 HG2 :: 2.099 HG3 :: 1.833 HE21 :: 7.219 HE22 :: 6.647 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.792 NE2 :: 110.285 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.4 N 0.23 C 0.13 K 0.07 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 175.712 CA :: 52.574 CB :: 41.037 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 :: 9.078 HA :: 5.112 HB2 :: 2.070 HB3 :: 1.532(S) HD21 :: 6.990 HD22 :: 5.287(S) 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 :: 120.166 ND2 :: 111.302 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.34 G 0.11 C Shift Assignments>> C :: 176.476 CA :: 55.915 CB :: 43.171 CD1 :: 131.782 CD2 :: 131.782 CE1 :: 131.785 CE2 :: 131.785 CZ :: 130.090 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 :: 8.286 HA :: 6.009 HB2 :: 3.418 HB3 :: 3.110 HD1 :: 7.377 HD2 :: 7.377 HE1 :: 7.404 HE2 :: 7.404 HZ :: 7.402 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 :: 118.430 Ave N Shift Values>> N :: 120.69(4.18) 1.C57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.13 R 0.12 H 0.11 Q 0.1 K 0.09 I 0.05 M 0.04 V 0.02 C Shift Assignments>> C :: 174.639 CA :: 58.462 CB :: 29.856 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.945 HA :: 4.845 HB2 :: 3.481 HB3 :: 2.969 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 :: 123.718 Ave N Shift Values>> N :: 119.95(4.79) 1.V58 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 :: 175.669 CA :: 69.258 CB :: 29.119 CG1 :: 23.308 CG2 :: 21.401 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 :: 8.752 HA :: 3.731 HB :: 2.247 HG11 :: 0.850 HG12 :: 0.850 HG13 :: 0.850 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.825 Ave N Shift Values>> N :: 121.02(4.96) 1.P59 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 170.658(A) CA :: 66.305 CB :: 31.133 CG :: 28.708 CD :: 49.729 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 :: 4.377 HB2 :: 2.290 HB3 :: 2.011 HG2 :: 2.251 HG3 :: 1.966 HD2 :: 4.272 HD3 :: 3.750 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.C60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.47 P 0.33 I 0.12 C 0.05 W 0.01 C Shift Assignments>> C :: 178.024 CA :: 65.824 CB :: 31.081 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.450 HA :: 3.912 HB2 :: 3.500 HB3 :: 2.794 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.779 Ave N Shift Values>> N :: 119.95(4.79) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> C :: 178.394 CA :: 62.702 CB :: 38.969 CD1 :: 133.115 CD2 :: 133.115 CE1 :: 118.428 CE2 :: 118.428 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 :: 9.013 HA :: 3.598 HB2 :: 3.181 HB3 :: 2.990 HD1 :: 6.711 HD2 :: 6.711 HE1 :: 6.489 HE2 :: 6.489 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.378 Ave N Shift Values>> N :: 120.79(4.69) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.34 I 0.21 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.731 CA :: 58.887 CB :: 29.484 CG :: 36.794 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 :: 8.541 HA :: 3.890 HB2 :: 2.110 HB3 :: 2.004 HG2 :: 2.549 HG3 :: 2.239 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 :: 117.713 Ave N Shift Values>> N :: 120.68(3.68) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.02 G 0.01 C Shift Assignments>> C :: 178.075 CA :: 58.148 CB :: 32.649 CG :: 25.114 CD :: 29.155 CE :: 42.199 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 :: 7.549 HA :: 4.040 HB2 :: 1.789 HB3 :: 1.789 HG2 :: 1.527 HG3 :: 1.431 HD2 :: 1.649 HD3 :: 1.557 HE2 :: 2.927 HE3 :: 2.927 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 :: 118.018 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 C 0.24 Q 0.24 R 0.09 M 0.08 E 0.07 C Shift Assignments>> C :: 176.230 CA :: 56.855 CB :: 29.125 CG :: 33.177 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 :: 7.754 HA :: 3.951 HB2 :: 1.744 HB3 :: 1.449 HG2 :: 1.860 HG3 :: 1.784 HE21 :: 6.345 HE22 :: 7.044 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.271 NE2 :: 110.896 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.35 C 0.29 C Shift Assignments>> C :: 174.955 CA :: 56.622 CB :: 30.072 CD2 :: 121.305 CE1 :: 137.626 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 :: 7.678 HA :: 4.417 HB2 :: 2.929 HB3 :: 2.349 HD2 :: 6.473 HE1 :: 7.363 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 :: 117.068 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A66 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 :: 177.641 CA :: 52.778 CB :: 19.250 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.666 HA :: 4.309 HB1 :: 1.371 HB2 :: 1.371 HB3 :: 1.371 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.767 Ave N Shift Values>> N :: 123.23(3.7) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.578 CA :: 58.419 CB :: 64.062 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.185 HA :: 4.460 HB2 :: 3.869 HB3 :: 3.869 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 :: 114.705 Ave N Shift Values>> N :: 116.3(3.95) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 R 0.15 C 0.12 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.799 CA :: 44.692 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.123 HA2 :: 4.137 HA3 :: 4.072 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.488 Ave N Shift Values>> N :: 109.91(4.29) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.377 CA :: 63.274 CB :: 32.202 CG :: 27.147 CD :: 49.808 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 :: 4.455 HB2 :: 2.269 HB3 :: 1.949 HG2 :: 1.997 HG3 :: 1.997 HD2 :: 3.608 HD3 :: 3.608 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.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.233 CA :: 58.554 CB :: 63.940 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.488 HA :: 4.460 HB2 :: 3.895 HB3 :: 3.895 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 :: 116.368 Ave N Shift Values>> N :: 116.3(3.95) 1.S71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 67 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 65 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 72 #Suspicious: 0 C Shift Results: #Consistent: 288 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 429 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 66 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q9 HB2 = 1.108(S), Expected = 2.05, Std = 0.2800, ChiSquare = 7.6742e-04 1.Q9 HB3 = 0.785(S), Expected = 2.04, Std = 0.2900, ChiSquare = 1.5075e-05 1.I15 HG13 = -0.442(S), Expected = 1.24, Std = 0.4000, ChiSquare = 2.6108e-05 1.I43 HD11 = -0.453(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.2137e-04 1.I43 HD12 = -0.453(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.2137e-04 1.I43 HD13 = -0.453(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.2137e-04 1.N55 HB3 = 1.532(S), Expected = 2.78, Std = 0.3400, ChiSquare = 2.4199e-04 1.N55 HD22 = 5.287(S), Expected = 7.20, Std = 0.5200, ChiSquare = 2.3429e-04 1.P59 C = 170.658(A), Expected = 176.70, Std = 1.6900, ChiSquare = 3.5003e-04