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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.6280 CB :: 63.9500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.26 C 0.23 M 0.08 E 0.07 R 0.02 C Shift Assignments>> CA :: 55.7390 CB :: 29.5870 CG :: 33.8500 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.5186 HA :: 4.4056 HB2 :: 1.9980 HG2 :: 2.3780 HE21 :: 7.6190 HE22 :: 6.9030 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.1373 NE2 :: 112.7510 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.37 G 0.1 K 0.04 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> CA :: 55.8750 CB :: 31.4264 CG :: 27.3080 CD :: 43.6490 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.5147 HA :: 4.4709 HB2 :: 1.8499 HG2 :: 1.7205 HD2 :: 3.2840 HE :: 7.4730 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.0434 NE :: 84.5300 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.4 G 0.18 K 0.01 C Shift Assignments>> CA :: 56.3160 CB :: 31.5262 CG :: 27.2093 CD :: 44.1500 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.0872 HA :: 4.2943 HB2 :: 1.7594 HB3 :: 1.8660 HG2 :: 1.8034 HG3 :: 1.7632 HD2 :: 3.3200 HD3 :: 3.5569 HE :: 7.6240 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.8688 NE :: 83.9000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.25 C 0.22 E 0.09 M 0.07 R 0.02 C Shift Assignments>> CA :: 55.4289 CB :: 29.5200 CG :: 34.0350 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.4576 HA :: 4.2623 HB2 :: 1.9758 HG2 :: 2.3487 HE21 :: 7.6281 HE22 :: 6.8726 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.7548 NE2 :: 112.8832 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.3 G 0.18 K 0.05 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> CA :: 56.5450 CB :: 32.8210 CG :: 28.0890 CD :: 44.0770 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6050 HA :: 4.2182 HB2 :: 1.6382 HB3 :: 1.5644 HG2 :: 1.2188 HD2 :: 3.0900 HD3 :: 2.9900 HE :: 7.2180 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.1930 NE :: 84.5320 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T8 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>> CA :: 64.9158 CB :: 68.9157 CG2 :: 20.7712 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9140 HA :: 3.7699 HB :: 3.4622 HG21 :: 0.4386 HG22 :: 0.4386 HG23 :: 0.4386 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 125.5515 Ave N Shift Values>> N :: 115.42(4.75) 1.H9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.36 C 0.2 C Shift Assignments>> CA :: 54.1380 CB :: 29.5004 CD2 :: 120.1500 CE1 :: 137.1800 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.6537 HA :: 4.6981 HB2 :: 3.0104 HB3 :: 3.0733 HD2 :: 7.1050 HE1 :: 8.1750 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 126.1974 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.34 C 0.19 C Shift Assignments>> CA :: 58.5462 CB :: 40.5190 CD1 :: 131.4020 CD2 :: 131.4020 CE1 :: 131.3040 CE2 :: 131.3040 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.5733 HA :: 4.7820 HB2 :: 2.7620 HB3 :: 3.1697 HD1 :: 7.3500 HD2 :: 7.3500 HE1 :: 7.5230 HE2 :: 7.5230 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.9144 Ave N Shift Values>> N :: 120.45(4.18) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> CA :: 60.4470 CB :: 71.1924 CG2 :: 21.8561 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.1938 HA :: 4.5202 HB :: 4.8441 HG1 :: 5.8200 HG21 :: 1.3786 HG22 :: 1.3786 HG23 :: 1.3786 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.6833 Ave N Shift Values>> N :: 115.42(4.75) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.0170 CB :: 62.2510 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1326 HA :: 4.1540 HB2 :: 3.9430 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.4672 Ave N Shift Values>> N :: 116.28(3.52) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 Q 0.2 K 0.16 R 0.1 I 0.04 E 0.03 P 0.01 HN Overlap>> 1.W58 1.W58 C Shift Assignments>> CA :: 59.5559 CB :: 27.6443 CG :: 33.8054 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.3797 HA :: 4.0670 HB2 :: 1.9742 HG2 :: 2.4462 HE21 :: 6.7578 HE22 :: 7.6525 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.0294 NE2 :: 111.8788 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.16 Q 0.14 K 0.14 I 0.12 R 0.02 C Shift Assignments>> CA :: 59.5266 CB :: 28.0859 CG :: 35.0294 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7805 HA :: 3.8188 HB2 :: 1.6096 HG2 :: 2.6714 HE21 :: 8.0102 HE22 :: 6.7141 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.1120 NE2 :: 110.7656 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.41 R 0.02 C Shift Assignments>> CA :: 57.9929 CB :: 41.6310 CG :: 26.9300 CD1 :: 25.4404 CD2 :: 23.3050 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2252 HA :: 3.6017 HB2 :: 1.7912 HB3 :: 1.5256 HG :: 1.6700 HD11 :: 0.9468 HD12 :: 0.9468 HD13 :: 0.9468 HD21 :: 0.7976 HD22 :: 0.7976 HD23 :: 0.7976 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.8867 Ave N Shift Values>> N :: 121.86(3.9) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.23 K 0.23 E 0.08 R 0.04 I 0.03 M 0.01 C Shift Assignments>> CA :: 59.1588 CB :: 28.5507 CG :: 34.0723 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1343 HA :: 3.9662 HB2 :: 2.1281 HB3 :: 2.1966 HG2 :: 2.4765 HG3 :: 2.3698 HE21 :: 7.4660 HE22 :: 6.8086 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.0310 NE2 :: 111.6052 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 K 0.13 Q 0.12 I 0.06 M 0.02 C Shift Assignments>> CA :: 58.5764 CB :: 29.4620 CG :: 35.5135 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.5949 HA :: 4.1695 HB2 :: 2.2813 HB3 :: 1.8554 HG2 :: 2.2240 HG3 :: 2.3287 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.7373 Ave N Shift Values>> N :: 120.67(3.48) 1.L18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.87 L 0.09 V 0.02 C Shift Assignments>> CA :: 58.5403 CB :: 37.9403 CG :: 26.1091 CD1 :: 22.4181 CD2 :: 22.8858 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2900 HA :: 3.4922 HB2 :: -1.2000(S) HB3 :: 0.4882 HG :: 1.1459 HD11 :: 0.4092 HD12 :: 0.4092 HD13 :: 0.4092 HD21 :: -0.8278(S) HD22 :: -0.8278(S) HD23 :: -0.8278(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.2485 Ave N Shift Values>> N :: 121.86(3.9) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.21 K 0.2 E 0.13 I 0.05 R 0.02 HN Overlap>> 1.N25 1.N25 C Shift Assignments>> CA :: 59.1362 CB :: 28.5872 CG :: 34.5494 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1319 HA :: 3.9662 HB2 :: 2.1966 HB3 :: 2.1281 HG2 :: 2.3535 HG3 :: 2.5160 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.9359 Ave N Shift Values>> N :: 120.67(3.48) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.2262 CB :: 18.0097 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9462 HA :: 4.1620 HB1 :: 1.5245 HB2 :: 1.5245 HB3 :: 1.5245 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.5664 Ave N Shift Values>> N :: 123.23(3.54) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 66.8876 CB :: 68.3772 CG2 :: 21.9387 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9378 HA :: 4.0864 HB :: 4.5264 HG21 :: 1.4892 HG22 :: 1.4892 HG23 :: 1.4892 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.2834 Ave N Shift Values>> N :: 115.42(4.75) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 F 0.3 C 0.25 C Shift Assignments>> CA :: 61.8000 CB :: 39.0330 CD1 :: 132.6660 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.8310 HA :: 4.3398 HB2 :: 3.2110 HB3 :: 3.3750 HD1 :: 7.1810 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.5350 Ave N Shift Values>> N :: 120.45(4.18) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.25 R 0.09 E 0.04 M 0.02 I 0.01 C Shift Assignments>> CA :: 57.5422 CB :: 28.2005 CG :: 33.7130 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.8750 HA :: 3.7577 HB2 :: 2.2540 HB3 :: 2.0935 HG2 :: 2.6591 HG3 :: 2.7540 HE21 :: 7.0772 HE22 :: 7.9036 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 112.2920 NE2 :: 113.3460 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.4 K 0.09 G 0.07 C Shift Assignments>> CA :: 57.1618 CB :: 31.6326 CG :: 27.6765 CD :: 43.4908 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.3874 HA :: 4.3324 HB2 :: 1.9019 HB3 :: 1.9619 HG2 :: 1.6504 HG3 :: 1.7667 HD2 :: 3.2194 HE :: 7.2500 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.6386 NE :: 84.5400 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.14 C 0.11 Y 0.1 F 0.09 L 0.04 E 0.01 M 0.01 HN Overlap>> 1.E19 1.E19 C Shift Assignments>> CA :: 53.9134 CB :: 38.4651 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.1641 HA :: 4.4642 HB2 :: 2.7550 HB3 :: 2.7137 HD21 :: 6.6170 HD22 :: 7.5090 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.9591 ND2 :: 108.6260 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.4 C 0.4 K 0.17 G 0.01 C Shift Assignments>> CA :: 57.7467 CB :: 31.1109 CG :: 27.4040 CD :: 42.6320 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.4133 HA :: 3.8001 HB2 :: 1.2760 HB3 :: 0.9018 HG2 :: 0.9430 HG3 :: -0.2960(S) HD2 :: 1.5900(S) HD3 :: 1.6600(S) HE :: 6.3400 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.4639 NE :: 83.6250 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.3 C Shift Assignments>> CA :: 55.7422 CB :: 39.1200 CD1 :: 133.4630 CD2 :: 133.4630 CE1 :: 118.0438 CE2 :: 118.0438 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.7397 HA :: 4.6277 HB2 :: 2.5570 HB3 :: 3.1053 HD1 :: 7.0580 HD2 :: 7.0580 HE1 :: 6.7840 HE2 :: 6.7840 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.1838 Ave N Shift Values>> N :: 120.52(4.2) 1.P28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.3 L 0.14 F 0.06 C 0.05 Y 0.04 K 0.02 HN Overlap>> 1.N53 1.M30 1.N53 1.M30 C Shift Assignments>> CA :: 52.5503 CB :: 40.5199 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.6504 HA :: 4.4512 HB2 :: 2.8084 HB3 :: 3.2183 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.1900 Ave N Shift Values>> N :: 120.65(3.86) 1.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.32 HN Overlap>> 1.N53 1.N53 1.D29 1.D29 C Shift Assignments>> CA :: 60.4279 CB :: 32.0807 CG :: 32.1140 CE :: 17.7300 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.6503 HA :: 3.8337 HB2 :: 2.5780 HB3 :: 2.4300 HG2 :: 2.0670 HG3 :: 2.1080 HE1 :: 2.0400 HE2 :: 2.0400 HE3 :: 2.0400 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.1120 Ave N Shift Values>> N :: 120.09(3.57) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.7206 CB :: 62.4307 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3609 HA :: 4.2172 HB2 :: 3.8818 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.2205 Ave N Shift Values>> N :: 116.28(3.52) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 67.1160 CB :: 67.3370 CG2 :: 20.9417 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.4272 HA :: 3.9787 HB :: 4.1505 HG21 :: 1.1367 HG22 :: 1.1367 HG23 :: 1.1367 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.7583 Ave N Shift Values>> N :: 115.42(4.75) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.19 Q 0.06 P 0.05 M 0.05 R 0.02 C Shift Assignments>> CA :: 61.2260 CB :: 32.1582 CG :: 29.7000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.9201 HA :: 3.8500 HB2 :: 2.5700 HB3 :: 2.4500 HG2 :: 2.1000 HE :: 9.4100 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.8075 NE :: 80.7380 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.29 I 0.25 K 0.03 Q 0.01 C Shift Assignments>> CA :: 59.9422 CB :: 29.3783 CG :: 36.6855 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.5566 HA :: 3.9679 HB2 :: 2.0239 HB3 :: 2.3024 HG2 :: 2.5438 HG3 :: 2.2051 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.5868 Ave N Shift Values>> N :: 120.67(3.48) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.31 I 0.21 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> CA :: 59.8000 CB :: 29.4100 CG :: 36.4000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.6560 HA :: 3.9641 HB2 :: 2.1587 HB3 :: 1.9889 HG2 :: 2.0100 HG3 :: 2.3000 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.1987 Ave N Shift Values>> N :: 120.67(3.48) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> 1.A45 1.A45 C Shift Assignments>> CA :: 64.7300 CB :: 38.6200 CG1 :: 28.4300 CG2 :: 18.4400 CD1 :: 14.9430 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4400 HA :: 3.6000 HB :: 1.8700 HG12 :: 1.1500 HG13 :: 1.8900 HG21 :: 0.9300 HG22 :: 0.9300 HG23 :: 0.9300 HD11 :: 0.8290 HD12 :: 0.8290 HD13 :: 0.8290 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.7300 Ave N Shift Values>> N :: 121.46(4.28) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 A 0.17 I 0.06 C 0.02 HN Overlap>> 1.R4 1.R4 1.R7 1.R7 C Shift Assignments>> CA :: 55.7391 CB :: 16.9882 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5222 HA :: 3.6500 HB1 :: 1.3470 HB2 :: 1.3470 HB3 :: 1.3470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1469 Ave N Shift Values>> N :: 123.23(3.54) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> CA :: 66.5691 CB :: 31.5954 CG1 :: 22.8552 CG2 :: 21.1930 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.7896 HA :: 3.7895 HB :: 2.2271 HG11 :: 1.1347 HG12 :: 1.1347 HG13 :: 1.1347 HG21 :: 0.9436 HG22 :: 0.9436 HG23 :: 0.9436 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.3859 Ave N Shift Values>> N :: 121.14(4.54) 1.W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> CA :: 59.1122 CB :: 29.9268 CD1 :: 126.3718 CE3 :: 120.7339 CZ2 :: 114.5909 CZ3 :: 121.9522 CH2 :: 124.6204 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.1076 HA :: 4.6087 HB2 :: 3.3890 HB3 :: 3.4688 HD1 :: 7.1258 HE1 :: 10.2004 HE3 :: 7.5600 HZ2 :: 7.4443 HZ3 :: 7.1069 HH2 :: 7.1824 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.2171 NE1 :: 128.8106 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> CA :: 61.6984 CB :: 71.0704 CG2 :: 22.4589 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9821 HA :: 4.3594 HB :: 4.2552 HG21 :: 1.1997 HG22 :: 1.1997 HG23 :: 1.1997 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 104.6757 Ave N Shift Values>> N :: 115.42(4.75) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.19 Y 0.13 E 0.13 F 0.09 M 0.05 D 0.04 I 0.01 L 0.01 K 0.01 C Shift Assignments>> CA :: 54.7858 CB :: 37.3724 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.9136 HA :: 4.5076 HB2 :: 3.2306 HB3 :: 2.8574 HD21 :: 6.8615 HD22 :: 7.5013 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.9267 ND2 :: 112.1047 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 C 0.32 L 0.23 A 0.04 HN Overlap>> 1.R55 1.R55 C Shift Assignments>> CA :: 53.0207 CB :: 46.9927 CG :: 27.0300 CD1 :: 26.0070 CD2 :: 23.9090 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6521 HA :: 5.0252 HB2 :: 1.4596 HB3 :: 1.6793 HG :: 1.6830 HD11 :: 0.8930 HD12 :: 0.8930 HD13 :: 0.8930 HD21 :: 1.1130 HD22 :: 1.1130 HD23 :: 1.1130 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.9961 Ave N Shift Values>> N :: 121.86(3.9) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.35 C Shift Assignments>> CA :: 59.3912 CB :: 71.5571 CG2 :: 22.2956 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.0648 HA :: 4.6949 HB :: 4.7112 HG21 :: 1.3336 HG22 :: 1.3336 HG23 :: 1.3336 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.5212 Ave N Shift Values>> N :: 115.42(4.75) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.32 E 0.06 C Shift Assignments>> CA :: 61.5531 CB :: 28.4470 CG :: 37.4120 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.4649 HA :: 3.6062 HB2 :: 1.9500 HB3 :: 2.3340 HG2 :: 2.6640 HG3 :: 2.1180 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.0186 Ave N Shift Values>> N :: 120.67(3.48) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.37 I 0.05 C 0.04 V 0.01 HN Overlap>> 1.I36 1.I36 C Shift Assignments>> CA :: 55.6450 CB :: 18.6390 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4300 HA :: 3.9948 HB1 :: 1.4730 HB2 :: 1.4730 HB3 :: 1.4730 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.6470 Ave N Shift Values>> N :: 123.23(3.54) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.36 K 0.09 G 0.07 C Shift Assignments>> CA :: 59.0800 CB :: 31.7498 CG :: 27.9324 CD :: 43.4830 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.6318 HA :: 4.3088 HB2 :: 2.1410 HB3 :: 2.2896 HG2 :: 1.9681 HG3 :: 2.1313 HD2 :: 3.3840 HD3 :: 3.4420 HE :: 7.4230 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.7254 NE :: 85.7160 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> CA :: 67.2482 CB :: 32.6212 CG1 :: 23.3383 CG2 :: 22.1831 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9702 HA :: 3.7590 HB :: 2.4301 HG11 :: 1.0353 HG12 :: 1.0353 HG13 :: 1.0353 HG21 :: 1.1566 HG22 :: 1.1566 HG23 :: 1.1566 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.6923 Ave N Shift Values>> N :: 121.14(4.54) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.29 G 0.11 K 0.04 C Shift Assignments>> CA :: 60.7627 CB :: 30.5244 CG :: 25.9730 CD :: 43.4115 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.4101 HA :: 3.8932 HB2 :: 2.1277 HB3 :: 2.2464 HG2 :: 1.5485 HG3 :: 1.7401 HD2 :: 3.3503 HD3 :: 3.4349 HE :: 8.2800 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.6223 NE :: 82.4360 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> CA :: 67.0733 CB :: 33.7247 CG1 :: 24.3158 CG2 :: 22.5507 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1906 HA :: 3.6120 HG11 :: 1.2063 HG12 :: 1.2063 HG13 :: 1.2063 HG21 :: 1.1961 HG22 :: 1.1961 HG23 :: 1.1961 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.0892 Ave N Shift Values>> N :: 121.14(4.54) 1.W50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> CA :: 62.6058 CB :: 28.1982 CD1 :: 128.7300 CZ2 :: 113.7400 CZ3 :: 120.6000 CH2 :: 123.0200 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.4268 HA :: 4.8686 HB2 :: 3.2669 HB3 :: 3.4646 HD1 :: 7.0583 HE1 :: 9.3585 HZ2 :: 7.1442 HZ3 :: 5.5700 HH2 :: 6.4169 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.4889 NE1 :: 129.0350 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.4 C 0.18 C Shift Assignments>> CA :: 63.7350 CB :: 39.2254 CD1 :: 131.9400 CD2 :: 131.9400 CE1 :: 131.9400 CE2 :: 131.9400 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.1071 HA :: 3.7077 HB2 :: 3.2761 HB3 :: 3.3023 HD1 :: 7.8242 HD2 :: 7.8242 HE1 :: 7.6100 HE2 :: 7.6100 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.2171 Ave N Shift Values>> N :: 120.45(4.18) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 C 0.3 K 0.09 W 0.05 Q 0.05 M 0.04 P 0.04 R 0.03 H 0.02 E 0.01 C Shift Assignments>> CA :: 60.6340 CB :: 33.2040 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9059 HA :: 3.9700 HB2 :: 2.0000 HB3 :: 2.2000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.7705 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> Y 0.22 C 0.2 F 0.17 N 0.13 E 0.1 D 0.05 I 0.04 M 0.03 L 0.02 HN Overlap>> 1.M30 1.D29 1.M30 1.D29 C Shift Assignments>> CA :: 56.1372 CB :: 37.9169 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.6260 HA :: 4.5206 HB2 :: 2.6233 HB3 :: 2.9438 HD21 :: 9.1565(S) HD22 :: 8.5562 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.0924 ND2 :: 123.6229(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R54 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.47 C 0.37 K 0.15 C Shift Assignments>> CA :: 56.8987 CB :: 27.4029 CG :: 24.1820 CD :: 40.5100 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.8491 HA :: 3.6626 HB2 :: -0.5010(S) HB3 :: 0.6420(S) HG2 :: -0.6060(S) HG3 :: -0.2460(S) HD2 :: 2.4110 HD3 :: 2.1590(S) HE :: 9.8000(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.3482 NE :: 89.9290 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 R 0.22 G 0.09 K 0.07 I 0.01 HN Overlap>> 1.L42 1.L42 C Shift Assignments>> CA :: 61.2868 CB :: 31.6497 CD :: 43.1860 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6064 HA :: 4.2700 HB2 :: 2.2484 HG2 :: 1.9916 HD2 :: 2.6130 HD3 :: 2.5800 HE :: 7.6936 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.0044 NE :: 83.6300 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.31 I 0.05 C 0.03 C Shift Assignments>> CA :: 55.5652 CB :: 18.0663 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.2386 HA :: 4.3336 HB1 :: 1.6087 HB2 :: 1.6087 HB3 :: 1.6087 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3726 Ave N Shift Values>> N :: 123.23(3.54) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.41 R 0.08 C Shift Assignments>> CA :: 59.6420 CB :: 32.9784 CG :: 25.0750 CD :: 30.0420 CE :: 41.9760 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6153 HA :: 4.0564 HB2 :: 1.8000 HG2 :: 1.2390 HG3 :: 1.4700 HD2 :: 1.4980 HD3 :: 1.7020 HE2 :: 2.8440 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.1043 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.55 C 0.44 HN Overlap>> 1.Q13 1.Q13 C Shift Assignments>> CA :: 60.5769 CB :: 29.4999 CD1 :: 127.6051 CE3 :: 119.7640 CZ2 :: 114.6751 CZ3 :: 121.9980 CH2 :: 124.8600 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.3737 HA :: 4.5324 HB2 :: 1.8619(S) HB3 :: 2.0005 HD1 :: 7.4718 HE1 :: 10.3400 HE3 :: 7.6970 HZ2 :: 7.4621 HZ3 :: 7.1780 HH2 :: 7.2473 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.9717 NE1 :: 130.2945 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 G 0.23 R 0.12 K 0.03 C Shift Assignments>> CA :: 59.6546 CB :: 31.4543 CG :: 29.3580 CD :: 44.1232 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.4262 HA :: 3.8570 HB2 :: 2.1837 HB3 :: 1.9390 HG2 :: 1.9988 HG3 :: 2.1573 HD2 :: 3.5889 HD3 :: 3.3296 HE :: 7.5109 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.5978 NE :: 85.9296 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.43 R 0.11 C Shift Assignments>> CA :: 57.9237 CB :: 33.0096 CG :: 25.1507 CD :: 29.0572 CE :: 42.1770 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.7324 HA :: 4.1998 HB2 :: 1.9494 HG2 :: 1.5140 HG3 :: 1.6190 HD2 :: 1.7018 HE2 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.0000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.39 K 0.07 G 0.04 C Shift Assignments>> CA :: 56.3431 CB :: 31.0966 CG :: 27.0621 CD :: 43.1649 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9857 HA :: 4.3560 HB2 :: 1.8243 HB3 :: 1.8869 HG2 :: 1.6191 HG3 :: 1.5978 HD2 :: 3.0442 HD3 :: 3.1006 HE :: 7.5200 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.5801 NE :: 87.3300 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.37 M 0.07 K 0.05 I 0.04 Q 0.03 C Shift Assignments>> CA :: 56.8002 CB :: 30.1218 CG :: 36.6580 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0888 HA :: 3.9776 HB2 :: 1.8061 HG2 :: 2.0130 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.4444 Ave N Shift Values>> N :: 120.67(3.48) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 M 0.06 K 0.06 I 0.05 Q 0.04 C Shift Assignments>> CA :: 57.4392 CB :: 30.0492 CG :: 36.4078 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.8040 HA :: 3.7971 HB2 :: 1.7308 HB3 :: 1.3746 HG2 :: 2.0455 HG3 :: 1.8481 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.4179 Ave N Shift Values>> N :: 120.67(3.48) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.37 C 0.21 C Shift Assignments>> CA :: 56.9740 CB :: 39.2344 CD1 :: 131.6831 CD2 :: 131.6831 CE1 :: 131.6826 CE2 :: 131.6826 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.7377 HA :: 4.5699 HB2 :: 3.0000 HB3 :: 3.0213 HD1 :: 7.0916 HD2 :: 7.0916 HE1 :: 7.3200 HE2 :: 7.3200 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.6904 Ave N Shift Values>> N :: 120.45(4.18) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> CA :: 60.9411 CB :: 38.5288 CG1 :: 27.3232 CG2 :: 17.3433 CD1 :: 12.6280 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.8030 HA :: 4.1084 HB :: 1.7726 HG12 :: 1.0859 HG13 :: 1.3768 HG21 :: 0.8220 HG22 :: 0.8220 HG23 :: 0.8220 HD11 :: 0.8101 HD12 :: 0.8101 HD13 :: 0.8101 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.6899 Ave N Shift Values>> N :: 121.46(4.28) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.32 C Shift Assignments>> CA :: 62.2877 CB :: 32.8445 CG2 :: 21.0486 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.2930 HA :: 4.1748 HB :: 2.0722 HG21 :: 0.9694 HG22 :: 0.9694 HG23 :: 0.9694 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.9863 Ave N Shift Values>> N :: 121.14(4.54) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.3490 CB :: 69.9992 CG2 :: 20.8329 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.3366 HA :: 4.4130 HB :: 4.2884 HG21 :: 0.9859 HG22 :: 0.9859 HG23 :: 0.9859 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.8779 Ave N Shift Values>> N :: 115.42(4.75) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.22 D 0.14 R 0.11 F 0.1 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> CA :: 56.0459 CB :: 42.1259 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9799 HA :: 4.4095 HB2 :: 2.6710 HB3 :: 2.5558 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.2929 Ave N Shift Values>> N :: 120.65(3.86) 2.DT1 Overall Status: Residue type DT not supported. 2.DA2 Overall Status: Residue type DA not supported. 2.DA3 Overall Status: Residue type DA not supported. 2.DG4 Overall Status: Residue type DG not supported. 2.DC5 Overall Status: Residue type DC not supported. 2.DT6 Overall Status: Residue type DT not supported. ########################################################################### Overall Results: #Consistent: 63 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 65 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 68 #Suspicious: 0 C Shift Results: #Consistent: 237 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 445 #Duplicate: 0 #Unknown: 0 #Suspicious: 15 #Anomalous: 0 N Shift Results: #Consistent: 88 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.L18 HB2 = -1.2000(S), Expected = 1.61, Std = 0.3400, ChiSquare = 1.4004e-16 1.L18 HD21 = -0.8278(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.7987e-08 1.L18 HD22 = -0.8278(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.7987e-08 1.L18 HD23 = -0.8278(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.7987e-08 1.R26 HG3 = -0.2960(S), Expected = 1.54, Std = 0.2900, ChiSquare = 2.4352e-10 1.R26 HD2 = 1.5900(S), Expected = 3.12, Std = 0.2400, ChiSquare = 1.8296e-10 1.R26 HD3 = 1.6600(S), Expected = 3.10, Std = 0.2600, ChiSquare = 3.0514e-08 1.N53 HD21 = 9.1565(S), Expected = 7.35, Std = 0.4800, ChiSquare = 1.6752e-04 1.N53 ND2 = 123.6229(S), Expected = 112.75, Std = 2.2300, ChiSquare = 1.0840e-06 1.R54 Typing: Mistyped 1.R54 HB2 = -0.5010(S), Expected = 1.79, Std = 0.2700, ChiSquare = 2.1538e-17 1.R54 HB3 = 0.6420(S), Expected = 1.76, Std = 0.2800, ChiSquare = 6.5282e-05 1.R54 HG2 = -0.6060(S), Expected = 1.57, Std = 0.2700, ChiSquare = 7.6758e-16 1.R54 HG3 = -0.2460(S), Expected = 1.54, Std = 0.2900, ChiSquare = 7.3381e-10 1.R54 HD3 = 2.1590(S), Expected = 3.10, Std = 0.2600, ChiSquare = 2.9548e-04 1.R54 HE = 9.8000(S), Expected = 7.40, Std = 0.6300, ChiSquare = 1.3923e-04 1.W58 HB2 = 1.8619(S), Expected = 3.19, Std = 0.3500, ChiSquare = 1.4790e-04